- candid: assign gamma=0.5 ambiguity=20 support=0.02..20.0 transposed=10.0 observ
        able=10.0 structure=0.75 smooth=1.0 volume=0.005 rsupport=0.5 tsupport=0.75
         quality=0.2 violation=0.9
 
    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 = 3.37, residual support = 43.4:
      O   HA    MET   11 - HN    MET   11   2.75 +/- 0.20  96.859% * 99.3074% (0.95  10.0   3.37  43.35) =  99.998%  kept
          HA    ALA   12 - HN    MET   11   5.10 +/- 0.45   3.115% *  0.0762% (0.73   1.0   0.02  12.19) =   0.002%
          HA    GLU-  14 - HN    MET   11  11.36 +/- 0.78   0.025% *  0.0637% (0.61   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  20.75 +/- 3.30   0.001% *  0.0324% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  28.93 +/- 1.80   0.000% *  0.0969% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  31.70 +/- 2.65   0.000% *  0.0802% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  35.18 +/- 2.02   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  32.41 +/- 2.26   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  37.00 +/- 2.73   0.000% *  0.0721% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  38.69 +/- 2.30   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  33.71 +/- 2.60   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  40.10 +/- 2.71   0.000% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 270 (4.31, 8.37, 125.10 ppm):
    9 chemical-shift based assignments, quality = 0.541, support = 2.87, residual support = 12.3:
      O   HA    ALA   12 - HN    ALA   12   2.77 +/- 0.20  36.346% * 68.6590% (0.71  10.0   2.38  12.31) =  55.820%  kept
      O   HA    MET   11 - HN    ALA   12   2.51 +/- 0.09  63.596% * 31.0568% (0.32  10.0   3.49  12.19) =  44.180%  kept
          HA    GLU-  14 - HN    ALA   12   8.26 +/- 0.67   0.058% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  25.77 +/- 1.36   0.000% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   12  30.38 +/- 2.09   0.000% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  34.43 +/- 2.35   0.000% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  28.49 +/- 2.20   0.000% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  32.62 +/- 1.72   0.000% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  36.05 +/- 1.90   0.000% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 271 (4.33, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 1.71, residual support = 5.18:
      O   HA    ALA   12 - HN    SER   13   2.50 +/- 0.17  97.750% * 97.9814% (0.14  10.0   1.71   5.18) =  99.996%  kept
          HA    GLU-  14 - HN    SER   13   4.82 +/- 0.39   2.250% *  0.1675% (0.20   1.0   0.02   6.67) =   0.004%
          HA    PHE   59 - HN    SER   13  24.40 +/- 1.44   0.000% *  0.4454% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    SER   13  28.03 +/- 1.82   0.000% *  0.4454% (0.53   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    SER   13  31.21 +/- 1.63   0.000% *  0.8298% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    SER   13  32.25 +/- 1.93   0.000% *  0.1306% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (3.87, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.06, residual support = 7.27:
      O   QB    SER   13 - HN    SER   13   2.81 +/- 0.32  99.968% * 99.5044% (0.87  10.0   2.06   7.27) = 100.000%  kept
          HB3   SER   37 - HN    SER   13  13.85 +/- 2.58   0.018% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   13  14.34 +/- 2.28   0.013% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   13  27.92 +/- 1.54   0.000% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  31.22 +/- 1.28   0.000% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  30.89 +/- 2.18   0.000% *  0.0649% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 50.1:
      O   HA    GLN   17 - HN    VAL   18   2.58 +/- 0.03  99.727% * 99.5491% (0.81  10.0   5.47  50.10) = 100.000%  kept
          HA    GLU-  15 - HN    VAL   18   7.09 +/- 0.13   0.235% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    VAL   18  12.60 +/- 0.65   0.008% *  0.1100% (0.89   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   18  13.21 +/- 0.96   0.006% *  0.0911% (0.74   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  11.56 +/- 1.17   0.016% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   18  13.10 +/- 0.82   0.007% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   18  19.43 +/- 0.86   0.001% *  0.0995% (0.81   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  18.67 +/- 1.37   0.001% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  20.54 +/- 1.73   0.000% *  0.0236% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 5.49, residual support = 76.6:
      O   HA    VAL   18 - HN    VAL   18   2.87 +/- 0.01  99.366% * 98.8751% (0.36  10.0   5.49  76.63) =  99.999%  kept
          HA1   GLY   16 - HN    VAL   18   6.73 +/- 0.04   0.598% *  0.1181% (0.43   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    VAL   18  11.37 +/- 0.81   0.028% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   18  16.80 +/- 0.81   0.003% *  0.2110% (0.77   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   18  18.35 +/- 1.17   0.002% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   18  18.01 +/- 0.75   0.002% *  0.1492% (0.55   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   18  18.46 +/- 0.42   0.001% *  0.1083% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   18  23.12 +/- 1.03   0.000% *  0.0813% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 275 (4.41, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.672, support = 2.1, residual support = 6.67:
      O   HA    SER   13 - HN    GLU-  14   2.51 +/- 0.13  98.458% * 99.4257% (0.67  10.0   2.10   6.67) =  99.998%  kept
          HA    GLU-  15 - HN    GLU-  14   5.20 +/- 0.39   1.502% *  0.0994% (0.67   1.0   0.02   1.00) =   0.002%
          HA    GLN   17 - HN    GLU-  14  10.09 +/- 0.70   0.028% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLU-  14  13.27 +/- 2.27   0.008% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLU-  14  15.74 +/- 1.87   0.002% *  0.0861% (0.58   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  14  21.27 +/- 1.50   0.000% *  0.0975% (0.66   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  16.82 +/- 1.36   0.001% *  0.0204% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  23.08 +/- 1.28   0.000% *  0.0825% (0.56   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  22.11 +/- 2.20   0.000% *  0.0229% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  25.49 +/- 1.33   0.000% *  0.0159% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (7.72, 8.66, 110.73 ppm):
    6 chemical-shift based assignments, quality = 0.132, support = 3.44, residual support = 16.5:
          HN    GLN   17 - HN    GLY   16   2.38 +/- 0.08  99.988% * 86.2161% (0.13   3.44  16.50) = 100.000%  kept
          HN    ALA   61 - HN    GLY   16  12.53 +/- 0.64   0.005% *  3.6720% (0.97   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLY   16  12.76 +/- 1.37   0.006% *  0.5716% (0.15   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLY   16  16.72 +/- 0.83   0.001% *  2.5449% (0.67   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLY   16  21.86 +/- 1.23   0.000% *  3.4200% (0.90   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLY   16  24.77 +/- 0.91   0.000% *  3.5754% (0.94   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 277 (8.66, 7.69, 115.83 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.44, residual support = 16.5:
        T HN    GLY   16 - HN    GLN   17   2.38 +/- 0.08 100.000% * 99.8536% (1.00 10.00   3.44  16.50) = 100.000%  kept
          HN    SER  117 - HN    GLN   17  21.52 +/- 0.82   0.000% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  24.17 +/- 0.74   0.000% *  0.0567% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.478, support = 2.08, residual support = 6.12:
      O   HA    GLU-  15 - HN    GLY   16   2.55 +/- 0.17  97.815% * 76.7155% (0.47  10.0   2.07   6.05) =  99.367%  kept
          HA    GLN   17 - HN    GLY   16   4.89 +/- 0.09   2.111% * 22.6476% (0.97   1.0   2.90  16.50) =   0.633%  kept
          HA    SER   13 - HN    GLY   16   9.33 +/- 0.54   0.047% *  0.0767% (0.47   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLY   16  12.13 +/- 0.98   0.011% *  0.1083% (0.67   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLY   16  14.69 +/- 1.43   0.004% *  0.1562% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLY   16  12.58 +/- 1.32   0.010% *  0.0486% (0.30   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  15.14 +/- 0.84   0.002% *  0.0707% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLY   16  18.26 +/- 0.76   0.001% *  0.1521% (0.94   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  22.97 +/- 1.27   0.000% *  0.0243% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (4.00, 8.66, 110.73 ppm):
    10 chemical-shift based assignments, quality = 0.769, support = 0.0198, residual support = 0.0198:
          HA    VAL   18 - HN    GLY   16   6.57 +/- 0.12  56.423% * 12.6997% (0.90   0.02   0.02) =  72.450%  kept
          HA    VAL   70 - HN    GLY   16   7.08 +/- 1.22  42.661% *  6.1679% (0.44   0.02   0.02) =  26.604%  kept
          HA    LYS+  33 - HN    GLY   16  15.15 +/- 1.46   0.455% * 10.5138% (0.75   0.02   0.02) =   0.483%
          HA    GLU-  29 - HN    GLY   16  18.12 +/- 1.20   0.138% * 12.3380% (0.87   0.02   0.02) =   0.172%
          HA    GLN   32 - HN    GLY   16  18.07 +/- 1.46   0.146% *  9.4500% (0.67   0.02   0.02) =   0.140%
          HA    GLN  116 - HN    GLY   16  19.21 +/- 1.26   0.093% *  6.1679% (0.44   0.02   0.02) =   0.058%
          HA    SER   48 - HN    GLY   16  22.42 +/- 0.99   0.037% * 12.6997% (0.90   0.02   0.02) =   0.048%
          HB2   SER   82 - HN    GLY   16  26.69 +/- 1.10   0.013% * 13.2768% (0.94   0.02   0.02) =   0.017%
          HD2   PRO   52 - HN    GLY   16  24.29 +/- 0.76   0.023% *  6.6964% (0.47   0.02   0.02) =   0.015%
          HA    ALA   88 - HN    GLY   16  26.79 +/- 0.85   0.012% *  9.9899% (0.71   0.02   0.02) =   0.012%
    Distance limit 3.40 A violated in 20 structures by 2.51 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.978, support = 5.08, residual support = 82.2:
      O   HA    GLN   17 - HN    GLN   17   2.88 +/- 0.01  60.907% * 95.5850% (0.99  10.0   5.17  84.43) =  97.373%  kept
          HA    GLU-  15 - HN    GLN   17   3.11 +/- 0.05  39.023% *  4.0253% (0.49   1.0   1.72   0.02) =   2.627%  kept
          HA    SER   13 - HN    GLN   17   9.87 +/- 0.64   0.044% *  0.0469% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLN   17  12.30 +/- 0.80   0.011% *  0.0662% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  13.99 +/- 0.90   0.005% *  0.0432% (0.45   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLN   17  16.18 +/- 1.16   0.002% *  0.0956% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLN   17  13.82 +/- 1.08   0.006% *  0.0298% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLN   17  16.70 +/- 0.81   0.002% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  21.73 +/- 1.28   0.000% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 281 (7.45, 6.81, 112.50 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 1.0, residual support = 84.4:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00 100.000% * 99.1229% (0.70  10.0 10.00   1.00  84.43) = 100.000%  kept
        T HE21  GLN   17 - HE22  GLN   32  23.39 +/- 3.01   0.000% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   17  23.10 +/- 1.79   0.000% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   17  22.64 +/- 1.54   0.000% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  23.31 +/- 1.38   0.000% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  31.55 +/- 1.84   0.000% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  33.56 +/- 2.30   0.000% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  32.66 +/- 1.51   0.000% *  0.0078% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 282 (6.82, 7.45, 112.50 ppm):
    5 chemical-shift based assignments, quality = 0.633, support = 1.0, residual support = 84.4:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00 100.000% * 99.4952% (0.63  10.0   1.00  84.43) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN   17  19.05 +/- 1.59   0.000% *  0.1524% (0.48   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  23.41 +/- 2.21   0.000% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  23.39 +/- 3.01   0.000% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  28.80 +/- 2.61   0.000% *  0.0833% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 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 = 0.243, support = 3.29, residual support = 18.1:
      O   HA1   GLY   16 - HN    GLN   17   3.22 +/- 0.04  91.282% * 63.1567% (0.22  10.0   3.26  16.50) =  95.119%  kept
          HA    VAL   18 - HN    GLN   17   4.79 +/- 0.06   8.337% * 35.4724% (0.65   1.0   3.87  50.10) =   4.879%  kept
          HA    VAL   70 - HN    GLN   17   8.57 +/- 1.04   0.348% *  0.2830% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    GLN   17  13.57 +/- 1.11   0.019% *  0.1492% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN   17  15.84 +/- 1.12   0.007% *  0.2369% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN   17  17.94 +/- 0.85   0.003% *  0.1949% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   17  19.16 +/- 1.13   0.002% *  0.2830% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   17  20.43 +/- 1.02   0.001% *  0.0632% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   17  25.46 +/- 1.05   0.000% *  0.1606% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 288 (5.57, 8.93, 131.32 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.0, residual support = 4.16:
          HA    LEU   73 - HN    ILE   19   2.41 +/- 0.54 100.000% *100.0000% (0.87   2.00   4.16) = 100.000%  kept
    Distance limit 3.57 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 = 4.87, residual support = 22.7:
      O   HA    VAL   18 - HN    ILE   19   2.25 +/- 0.04  99.946% * 99.2246% (0.65  10.0   4.87  22.72) = 100.000%  kept
          HA    VAL   70 - HN    ILE   19   9.89 +/- 0.69   0.016% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    ILE   19   8.63 +/- 0.33   0.032% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   19  14.35 +/- 0.61   0.002% *  0.1281% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   19  14.15 +/- 0.46   0.002% *  0.1054% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    ILE   19  14.13 +/- 0.69   0.002% *  0.0807% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   19  19.24 +/- 1.19   0.000% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  16.04 +/- 0.96   0.001% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  19.59 +/- 1.07   0.000% *  0.0868% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 6.65, residual support = 172.3:
      O   HA    ILE   19 - HN    ILE   19   2.92 +/- 0.02  99.965% * 99.7071% (0.87  10.0   6.65 172.34) = 100.000%  kept
          HA    THR   26 - HN    ILE   19  11.72 +/- 0.33   0.024% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ILE   19  14.91 +/- 0.32   0.006% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ILE   19  16.23 +/- 0.83   0.004% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  20.16 +/- 0.74   0.001% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ILE   19  21.82 +/- 1.05   0.001% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 5.05, residual support = 25.5:
      O   HA    ILE   19 - HN    ALA   20   2.22 +/- 0.05  99.983% * 99.7374% (0.97  10.0   5.05  25.52) = 100.000%  kept
          HA    THR   26 - HN    ALA   20   9.77 +/- 0.23   0.014% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ALA   20  13.30 +/- 0.12   0.002% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ALA   20  18.36 +/- 1.04   0.000% *  0.1013% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  19.80 +/- 0.63   0.000% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  25.69 +/- 1.04   0.000% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.89 +/- 0.02  99.936% * 99.9455% (0.97  10.0   3.14  15.24) = 100.000%  kept
          HA    LEU   71 - HN    ALA   20   9.96 +/- 0.61   0.064% *  0.0545% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 3.89, residual support = 9.08:
        T HN    LYS+  74 - HN    CYS   21   3.00 +/- 0.29  99.784% * 99.2410% (0.76 10.00   3.89   9.08) = 100.000%  kept
          HN    THR   46 - HN    CYS   21   9.41 +/- 0.66   0.123% *  0.1299% (1.00  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    ILE  119  10.11 +/- 0.34   0.081% *  0.0102% (0.08  1.00   0.02   0.02) =   0.000%
        T HN    LYS+  74 - HN    ILE  119  18.16 +/- 0.67   0.002% *  0.3136% (0.24 10.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    CYS   21  18.22 +/- 0.70   0.002% *  0.1228% (0.95  1.00   0.02   0.02) =   0.000%
          HN    THR   46 - HN    ILE  119  16.98 +/- 0.64   0.004% *  0.0410% (0.32  1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    ILE  119  17.40 +/- 1.04   0.003% *  0.0388% (0.30  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    CYS   21  22.40 +/- 1.86   0.001% *  0.0534% (0.41  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    CYS   21  24.42 +/- 0.90   0.000% *  0.0324% (0.25  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE  119  33.80 +/- 1.66   0.000% *  0.0169% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 2.86, residual support = 13.9:
      O   HA    ALA   20 - HN    CYS   21   2.24 +/- 0.01  99.988% * 99.8901% (0.95  10.0   2.86  13.94) = 100.000%  kept
          HA    LEU   71 - HN    CYS   21  10.43 +/- 0.43   0.010% *  0.0235% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  19.90 +/- 1.01   0.000% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  15.97 +/- 1.61   0.001% *  0.0074% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  20.95 +/- 0.68   0.000% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  18.24 +/- 1.24   0.000% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 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   2.78 +/- 0.03  99.991% * 99.8043% (0.83  10.0   3.84  41.03) = 100.000%  kept
          HA    SER  117 - HN    ASP-  62  13.49 +/- 0.78   0.008% *  0.0751% (0.63   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ASP-  62  21.44 +/- 1.01   0.001% *  0.1025% (0.85   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ASP-  62  26.08 +/- 0.66   0.000% *  0.0181% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (4.37, 7.86, 120.86 ppm):
    7 chemical-shift based assignments, quality = 0.523, support = 1.5, residual support = 6.56:
          HA    PHE   59 - HN    ASP-  62   3.57 +/- 0.24  98.825% * 92.4913% (0.52   1.50   6.56) =  99.984%  kept
          HA    ILE   56 - HN    ASP-  62   7.84 +/- 0.64   1.055% *  1.2332% (0.52   0.02   0.02) =   0.014%
          HA    LEU  123 - HN    ASP-  62  12.24 +/- 1.23   0.082% *  0.9897% (0.42   0.02   0.02) =   0.001%
          HA    ASP- 113 - HN    ASP-  62  14.23 +/- 0.90   0.029% *  2.0287% (0.86   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    ASP-  62  18.71 +/- 0.67   0.005% *  1.6281% (0.69   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP-  62  24.71 +/- 0.72   0.001% *  1.3153% (0.56   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP-  62  21.75 +/- 0.74   0.002% *  0.3137% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.04 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 3.44, residual support = 21.1:
          HN    THR   23 - HN    HIS   22   3.73 +/- 0.03  99.045% * 97.3600% (0.69   3.44  21.13) =  99.992%  kept
          HE3   TRP   27 - HN    HIS   22   8.40 +/- 0.70   0.867% *  0.8218% (1.00   0.02   0.02) =   0.007%
          QE    PHE   95 - HN    HIS   22  14.78 +/- 0.63   0.027% *  0.5980% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    HIS   22  13.08 +/- 0.42   0.054% *  0.1442% (0.18   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    HIS   22  23.75 +/- 1.14   0.002% *  0.8218% (1.00   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    HIS   22  19.43 +/- 0.84   0.005% *  0.2542% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 298 (4.62, 9.10, 120.75 ppm):
    3 chemical-shift based assignments, quality = 0.945, support = 0.02, residual support = 4.65:
          HA    ALA   20 - HN    HIS   22   4.83 +/- 0.09  99.703% * 62.6587% (0.95   0.02   4.66) =  99.929%  kept
          HA    LEU   71 - HN    HIS   22  12.94 +/- 0.54   0.286% * 14.7469% (0.22   0.02   0.02) =   0.067%
          HA    LYS+ 102 - HN    HIS   22  22.20 +/- 1.21   0.011% * 22.5944% (0.34   0.02   0.02) =   0.004%
    Distance limit 3.78 A violated in 20 structures by 1.05 A, eliminated.
    Peak unassigned.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.684, support = 3.66, residual support = 13.2:
        T HN    THR   26 - HN    THR   23   4.57 +/- 0.10  86.649% * 93.8001% (0.69 10.00   3.67  13.20) =  99.017%  kept
          HN    LEU   80 - HN    THR   23   6.32 +/- 0.41  13.250% *  6.0885% (0.34  1.00   2.61  10.46) =   0.983%  kept
          HN    ALA   34 - HN    THR   23  14.62 +/- 0.34   0.082% *  0.0341% (0.25  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    THR   23  18.89 +/- 1.05   0.018% *  0.0773% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.22 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.988, support = 3.43, residual support = 21.1:
        T HN    HIS   22 - HN    THR   23   3.73 +/- 0.03  85.803% * 98.2750% (0.99 10.00   3.44  21.13) =  99.710%  kept
          HN    ASP-  76 - HN    THR   23   5.30 +/- 0.69  14.197% *  1.7250% (0.95  1.00   0.37   0.02) =   0.290%
    Distance limit 3.40 A violated in 0 structures by 0.33 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 7.94, residual support = 34.4:
        T HN    GLU-  25 - HN    VAL   24   2.67 +/- 0.10  99.168% * 99.8571% (0.98 10.00   7.94  34.41) = 100.000%  kept
          HN    ASN   28 - HN    VAL   24   5.98 +/- 0.18   0.809% *  0.0419% (0.41  1.00   0.02  11.91) =   0.000%
          HN    ASP-  44 - HN    VAL   24  11.28 +/- 0.89   0.023% *  0.1010% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 7.94, residual support = 34.4:
        T HN    VAL   24 - HN    GLU-  25   2.67 +/- 0.10 100.000% *100.0000% (1.00 10.00   7.94  34.41) = 100.000%  kept
    Distance limit 3.27 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 = 5.47, residual support = 29.3:
        T HN    THR   26 - HN    GLU-  25   2.94 +/- 0.05  99.998% * 99.9840% (0.97 10.00   5.47  29.34) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  18.16 +/- 0.87   0.002% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.975, support = 5.45, residual support = 29.1:
        T HN    GLU-  25 - HN    THR   26   2.94 +/- 0.05  87.406% * 94.1357% (0.98 10.00   5.47  29.34) =  99.126%  kept
          HN    ASN   28 - HN    THR   26   4.08 +/- 0.16  12.575% *  5.7691% (0.41  1.00   2.92   0.02) =   0.874%  kept
          HN    ASP-  44 - HN    THR   26  12.16 +/- 0.57   0.018% *  0.0952% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 4.47, residual support = 22.4:
          HN    TRP   27 - HN    THR   26   2.51 +/- 0.06  99.989% * 98.4603% (0.99   4.47  22.35) = 100.000%  kept
          HD1   TRP   87 - HN    THR   26  13.18 +/- 1.03   0.005% *  0.2695% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR   26  15.52 +/- 1.48   0.002% *  0.1668% (0.38   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR   26  17.19 +/- 0.48   0.001% *  0.2875% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    THR   26  15.25 +/- 0.33   0.002% *  0.1108% (0.25   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR   26  19.67 +/- 1.01   0.000% *  0.3396% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR   26  21.19 +/- 0.98   0.000% *  0.3053% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  20.68 +/- 2.18   0.000% *  0.0601% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.931, support = 3.56, residual support = 12.8:
          HN    THR   23 - HN    THR   26   4.57 +/- 0.10  74.186% * 61.2744% (0.97   3.67  13.20) =  93.170%  kept
          HD2   HIS   22 - HN    THR   26   5.66 +/- 0.34  21.450% * 10.0706% (0.45   1.30   0.12) =   4.427%  kept
          HE3   TRP   27 - HN    THR   26   7.42 +/- 0.36   4.253% * 27.5559% (0.49   3.27  22.35) =   2.402%  kept
          QE    PHE   95 - HN    THR   26  16.30 +/- 0.62   0.037% *  0.3272% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    THR   26  15.35 +/- 0.85   0.057% *  0.0468% (0.14   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    THR   26  22.19 +/- 0.79   0.006% *  0.3193% (0.92   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    THR   26  21.04 +/- 1.58   0.009% *  0.2098% (0.61   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    THR   26  25.30 +/- 1.08   0.003% *  0.1959% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.07 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.888, support = 4.57, residual support = 66.0:
          HE3   TRP   27 - HN    TRP   27   5.00 +/- 0.27  42.256% * 70.5098% (1.00   5.34 101.26) =  64.805%  kept
          HN    THR   23 - HN    TRP   27   4.76 +/- 0.17  56.224% * 28.7780% (0.69   3.16   1.11) =  35.194%  kept
          HN    LYS+  81 - HN    TRP   27  11.01 +/- 0.53   0.377% *  0.0464% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    TRP   27  14.42 +/- 0.61   0.076% *  0.1924% (0.73   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    ALA   91  11.01 +/- 1.36   0.555% *  0.0238% (0.09   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   91  12.80 +/- 1.19   0.188% *  0.0327% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   91  12.08 +/- 1.13   0.243% *  0.0057% (0.02   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    ALA   91  16.53 +/- 1.05   0.035% *  0.0327% (0.12   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   27  23.77 +/- 0.98   0.004% *  0.2643% (1.00   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   27  20.21 +/- 0.73   0.010% *  0.0818% (0.31   0.02   0.02) =   0.000%
          HN    THR   23 - HN    ALA   91  17.30 +/- 1.18   0.027% *  0.0225% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  22.50 +/- 1.10   0.005% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.37 A, kept.
 
    Peak 308 (8.12, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.47, residual support = 22.4:
        T HN    THR   26 - HN    TRP   27   2.51 +/- 0.06  99.996% * 99.8587% (0.97 10.00   4.47  22.35) = 100.000%  kept
        T HN    THR   26 - HN    ALA   91  19.67 +/- 1.01   0.000% *  0.1234% (0.12 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    TRP   27  14.23 +/- 0.83   0.003% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  21.59 +/- 0.60   0.000% *  0.0020% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 309 (8.62, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.117, support = 6.75, residual support = 32.2:
        T HN    GLN   90 - HN    ALA   91   2.52 +/- 0.43  99.207% * 91.0962% (0.12 10.00   6.75  32.19) =  99.999%  kept
          HN    GLY  109 - HN    ALA   91   6.73 +/- 1.44   0.752% *  0.0507% (0.07  1.00   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  16.01 +/- 1.35   0.003% *  7.3725% (0.95 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  11.25 +/- 0.86   0.020% *  0.1735% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.28 +/- 1.06   0.001% *  0.7794% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.37 +/- 1.09   0.016% *  0.0214% (0.03  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  20.83 +/- 0.81   0.000% *  0.4100% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  18.74 +/- 1.14   0.001% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 0.988, support = 4.95, residual support = 46.6:
        T HN    ASN   28 - HN    TRP   27   2.75 +/- 0.08  90.791% * 94.7690% (0.99 10.00   4.96  46.84) =  99.469%  kept
          HN    GLU-  25 - HN    TRP   27   4.04 +/- 0.08   9.155% *  5.0130% (0.38  1.00   2.79   0.53) =   0.531%  kept
          HN    ASP-  44 - HN    TRP   27   9.94 +/- 0.53   0.042% *  0.0393% (0.41  1.00   0.02   0.02) =   0.000%
        T HN    ASN   28 - HN    ALA   91  18.94 +/- 0.85   0.001% *  0.1171% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  12.80 +/- 0.54   0.009% *  0.0049% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  20.12 +/- 0.62   0.001% *  0.0465% (0.49  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  18.38 +/- 1.09   0.001% *  0.0044% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  25.57 +/- 0.87   0.000% *  0.0058% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 1.98, residual support = 101.3:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  99.968% * 99.6401% (0.76  10.0   1.98 101.26) = 100.000%  kept
          HE21  GLN   30 - HE1   TRP   27  10.64 +/- 1.06   0.030% *  0.1304% (0.99   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HE1   TRP   27  18.10 +/- 1.57   0.001% *  0.1005% (0.76   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE1   TRP   27  22.29 +/- 2.36   0.000% *  0.1290% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 1.37, residual support = 101.3:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  99.997% * 99.8416% (0.45  10.0   1.37 101.26) = 100.000%  kept
          HZ    PHE   72 - HE1   TRP   27  17.10 +/- 1.85   0.003% *  0.1584% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.967, support = 4.82, residual support = 32.0:
          HN    GLU-  29 - HN    ASN   28   2.70 +/- 0.10  86.583% * 65.7611% (0.98   4.96  33.82) =  92.615%  kept
          HN    GLN   30 - HN    ASN   28   3.69 +/- 0.12  13.403% * 33.8707% (0.80   3.13   8.66) =   7.385%  kept
          HN    ASP-  86 - HN    ASN   28  12.21 +/- 0.55   0.011% *  0.2347% (0.87   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    ASN   28  16.60 +/- 0.34   0.002% *  0.0366% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    ASN   28  18.38 +/- 1.33   0.001% *  0.0602% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    ASN   28  21.58 +/- 2.94   0.000% *  0.0366% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 314 (7.74, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.96, residual support = 46.8:
          HN    TRP   27 - HN    ASN   28   2.75 +/- 0.08  99.947% * 98.6092% (0.99   4.96  46.84) = 100.000%  kept
          HD1   TRP   87 - HN    ASN   28  11.50 +/- 0.83   0.020% *  0.2435% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    ASN   28  12.65 +/- 1.38   0.013% *  0.1507% (0.38   0.02   0.02) =   0.000%
          HN    THR   39 - HN    ASN   28  14.53 +/- 0.34   0.005% *  0.2597% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    ASN   28  12.52 +/- 0.28   0.012% *  0.1001% (0.25   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   28  18.94 +/- 0.85   0.001% *  0.3068% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    ASN   28  21.16 +/- 0.94   0.000% *  0.2757% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    ASN   28  17.00 +/- 2.10   0.002% *  0.0543% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 5.07, residual support = 46.8:
          HD1   TRP   27 - HN    ASN   28   3.83 +/- 0.39  99.165% * 98.0254% (0.41   5.07  46.84) =  99.994%  kept
          HE21  GLN   30 - HN    ASN   28   8.73 +/- 0.34   0.829% *  0.7191% (0.76   0.02   8.66) =   0.006%
          QD    PHE   59 - HN    ASN   28  20.48 +/- 1.50   0.005% *  0.3869% (0.41   0.02   0.02) =   0.000%
          HH2   TRP   49 - HN    ASN   28  25.53 +/- 1.96   0.002% *  0.8686% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.11 A, kept.
 
    Peak 317 (6.97, 7.61, 111.81 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 2.5, residual support = 94.7:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00 100.000% * 99.9543% (0.98  10.0   2.50  94.66) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  16.07 +/- 0.97   0.000% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 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 = 1.27, residual support = 2.74:
          HA    GLU-  25 - HD21  ASN   28   4.59 +/- 0.13  99.059% * 96.5836% (1.00   1.27   2.74) =  99.991%  kept
          HA    SER   82 - HD21  ASN   28  10.94 +/- 1.58   0.814% *  0.8642% (0.57   0.02   0.02) =   0.007%
          HA    ILE   19 - HD21  ASN   28  14.21 +/- 0.41   0.117% *  1.4439% (0.95   0.02   0.02) =   0.002%
          HA    CYS   53 - HD21  ASN   28  21.69 +/- 1.20   0.010% *  1.1084% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.36 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.832, support = 5.67, residual support = 93.0:
      O   HA    ASN   28 - HN    ASN   28   2.79 +/- 0.04  89.519% * 86.0227% (0.84  10.0   5.70  94.66) =  98.195%  kept
          HA    THR   26 - HN    ASN   28   4.04 +/- 0.23  10.459% * 13.5337% (0.65   1.0   4.06   0.02) =   1.805%  kept
          HA    ALA   34 - HN    ASN   28  11.93 +/- 0.29   0.015% *  0.0994% (0.97   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASN   28  15.29 +/- 3.13   0.007% *  0.1028% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   28  23.97 +/- 1.05   0.000% *  0.0893% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASN   28  27.05 +/- 1.24   0.000% *  0.0974% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  25.27 +/- 1.64   0.000% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  30.35 +/- 1.84   0.000% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 320 (4.50, 7.73, 123.24 ppm):
    10 chemical-shift based assignments, quality = 0.907, support = 4.81, residual support = 95.3:
      O   HA    TRP   27 - HN    TRP   27   2.75 +/- 0.02  58.609% * 90.4766% (0.97  10.0   4.98 101.26) =  93.255%  kept
      O   HA    ALA   91 - HN    ALA   91   2.91 +/- 0.02  41.348% *  9.2758% (0.10  10.0   2.46  12.88) =   6.745%  kept
          HA    PRO   52 - HN    ALA   91  11.18 +/- 1.24   0.016% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  11.45 +/- 1.47   0.016% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  19.89 +/- 0.62   0.000% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  12.85 +/- 1.69   0.008% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.06 +/- 0.57   0.000% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  18.01 +/- 0.77   0.001% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.41 +/- 0.68   0.000% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  26.45 +/- 0.63   0.000% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 321 (4.22, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.47, residual support = 22.4:
          HB    THR   26 - HN    TRP   27   2.93 +/- 0.10  99.954% * 99.0082% (0.99   4.47  22.35) = 100.000%  kept
          HA    SER   82 - HN    TRP   27  13.11 +/- 0.90   0.014% *  0.0783% (0.18   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  11.90 +/- 1.12   0.028% *  0.0097% (0.02   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    TRP   27  22.36 +/- 0.85   0.001% *  0.4313% (0.97   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  19.90 +/- 1.02   0.001% *  0.0547% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  19.98 +/- 1.91   0.001% *  0.0401% (0.09   0.02   0.02) =   0.000%
          HA    SER  117 - HN    TRP   27  27.74 +/- 0.79   0.000% *  0.3245% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    ALA   91  21.34 +/- 0.92   0.001% *  0.0533% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 322 (4.77, 8.12, 116.43 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    THR   26  23.71 +/- 0.71 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.25 A violated in 20 structures by 19.46 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.213, support = 4.32, residual support = 34.7:
      O   HB    THR   26 - HN    THR   26   2.15 +/- 0.11  95.666% * 21.3631% (0.15  10.0   4.16  35.63) =  85.764%  kept
      O   HA    GLU-  25 - HN    THR   26   3.63 +/- 0.01   4.328% * 78.3875% (0.57  10.0   5.26  29.34) =  14.236%  kept
          HA    SER   82 - HN    THR   26  13.53 +/- 0.70   0.002% *  0.1381% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    THR   26  11.26 +/- 0.17   0.005% *  0.0472% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   26  24.18 +/- 0.98   0.000% *  0.0427% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  22.24 +/- 1.00   0.000% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 324 (4.82, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.777, support = 3.15, residual support = 6.32:
          HA    THR   23 - HN    GLU-  25   4.45 +/- 0.16  33.711% * 69.0074% (0.98   3.43   6.32) =  55.200%  kept
          HB    THR   23 - HN    GLU-  25   4.01 +/- 0.38  62.464% * 30.2080% (0.53   2.80   6.32) =  44.774%  kept
          HA    LEU   80 - HN    GLU-  25   6.52 +/- 0.36   3.768% *  0.2820% (0.69   0.02   0.02) =   0.025%
          HA    ASP-  78 - HN    GLU-  25  13.05 +/- 0.56   0.055% *  0.3884% (0.95   0.02   0.02) =   0.001%
          HA    ASP- 105 - HN    GLU-  25  23.89 +/- 0.93   0.001% *  0.1142% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.26 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.86, residual support = 127.6:
      O   HA    GLU-  25 - HN    GLU-  25   2.70 +/- 0.01  99.969% * 99.7793% (0.87  10.0   5.86 127.62) = 100.000%  kept
          HA    SER   82 - HN    GLU-  25  10.94 +/- 0.69   0.025% *  0.1032% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  25  13.59 +/- 0.13   0.006% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  25  22.13 +/- 1.07   0.000% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 326 (4.83, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.707, support = 5.34, residual support = 25.8:
      O   HA    THR   23 - HN    VAL   24   2.67 +/- 0.13  64.479% * 92.1978% (0.73  10.0   5.33  25.85) =  96.160%  kept
          HB    THR   23 - HN    VAL   24   3.24 +/- 0.69  31.151% *  7.6141% (0.22   1.0   5.39  25.85) =   3.837%  kept
          HA    LEU   80 - HN    VAL   24   4.34 +/- 0.39   4.333% *  0.0433% (0.34   1.0   0.02   9.40) =   0.003%
          HA    ASP-  78 - HN    VAL   24  10.64 +/- 0.51   0.016% *  0.1225% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    VAL   24  10.38 +/- 1.00   0.020% *  0.0222% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 327 (4.80, 7.33, 104.59 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.14, residual support = 19.1:
      O   HA    THR   23 - HN    THR   23   2.25 +/- 0.02  92.890% * 37.7551% (0.61  10.0   3.03  19.05) =  88.933%  kept
      O   HB    THR   23 - HN    THR   23   3.56 +/- 0.34   7.026% * 62.1094% (1.00  10.0   3.94  19.05) =  11.067%  kept
          HA    LEU   80 - HN    THR   23   7.42 +/- 0.48   0.078% *  0.0589% (0.95   1.0   0.02  10.46) =   0.000%
          HA    ASP-  78 - HN    THR   23  11.30 +/- 0.56   0.006% *  0.0192% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    THR   23  23.10 +/- 0.66   0.000% *  0.0575% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.724, support = 0.0199, residual support = 0.378:
          HA    ALA   20 - HN    THR   23   5.46 +/- 0.12  99.710% * 46.5057% (0.73   0.02   0.38) =  99.666%  kept
          HA    LEU   71 - HN    THR   23  14.56 +/- 0.51   0.290% * 53.4943% (0.84   0.02   0.02) =   0.334%
    Distance limit 3.82 A violated in 20 structures by 1.64 A, eliminated.
    Peak unassigned.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.66, residual support = 13.2:
          HB    THR   26 - HN    THR   23   3.78 +/- 0.10  99.938% * 98.6047% (0.99   2.66  13.20) = 100.000%  kept
          HA    SER   82 - HN    THR   23  13.16 +/- 0.57   0.059% *  0.1309% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   23  21.41 +/- 1.00   0.003% *  0.7215% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    THR   23  28.25 +/- 0.78   0.001% *  0.5429% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.23 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.5, residual support = 94.7:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  99.826% * 99.7763% (0.98  10.0   2.50  94.66) = 100.000%  kept
          HZ2   TRP   87 - HD22  ASN   28   6.17 +/- 2.74   0.174% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HD22  ASN   28  14.82 +/- 1.14   0.000% *  0.0495% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  21.24 +/- 0.66   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  24.05 +/- 1.24   0.000% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (8.79, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.96, residual support = 33.8:
        T HN    ASN   28 - HN    GLU-  29   2.70 +/- 0.10  99.320% * 99.7796% (0.76 10.00   4.96  33.82) =  99.999%  kept
          HN    GLU-  25 - HN    GLU-  29   6.24 +/- 0.13   0.671% *  0.0948% (0.73  1.00   0.02   0.02) =   0.001%
          HN    ASP-  44 - HN    GLU-  29  13.01 +/- 0.55   0.008% *  0.0998% (0.76  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    GLU-  29  20.81 +/- 0.75   0.000% *  0.0258% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 51.2:
        T HN    LEU   31 - HN    GLN   30   2.52 +/- 0.08  99.990% * 98.4622% (0.73 10.00   6.96  51.23) = 100.000%  kept
        T HN    PHE   55 - HN    GLN   30  26.75 +/- 0.98   0.000% *  1.3086% (0.97 10.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  17.48 +/- 0.60   0.001% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  12.88 +/- 0.96   0.007% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   30  21.84 +/- 0.83   0.000% *  0.0877% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  17.67 +/- 1.01   0.001% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  25.86 +/- 1.19   0.000% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  19.42 +/- 0.62   0.000% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  25.41 +/- 0.99   0.000% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  26.04 +/- 1.04   0.000% *  0.0027% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (7.85, 8.06, 119.69 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.85, residual support = 45.5:
        T HN    LEU   31 - HN    GLN   32   2.70 +/- 0.09  99.920% * 99.0995% (0.98 10.00   5.85  45.51) = 100.000%  kept
          HN    LYS+  38 - HN    GLN   32   8.92 +/- 0.12   0.078% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    PHE   55 - HN    GLN   32  29.38 +/- 1.08   0.000% *  0.6945% (0.69 10.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  18.77 +/- 0.82   0.001% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   32  23.89 +/- 0.86   0.000% *  0.0956% (0.95  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  28.74 +/- 1.28   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 44.2:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00 100.000% * 99.4510% (0.87  10.0   1.00  44.20) = 100.000%  kept
          HE22  GLN   17 - HE21  GLN   32  23.18 +/- 2.70   0.000% *  0.2248% (0.98   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  27.95 +/- 3.01   0.000% *  0.1752% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  26.58 +/- 1.98   0.000% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  35.26 +/- 1.91   0.000% *  0.0782% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.57 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 = 44.2:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  99.944% * 98.9152% (0.83  10.0 10.00   1.00  44.20) = 100.000%  kept
          HN    ALA   84 - HE22  GLN   90   8.63 +/- 3.44   0.055% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  16.38 +/- 3.70   0.001% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  21.01 +/- 1.12   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  18.03 +/- 1.84   0.000% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  14.61 +/- 1.43   0.000% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  27.95 +/- 3.01   0.000% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  23.18 +/- 2.70   0.000% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  23.08 +/- 1.54   0.000% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  28.27 +/- 0.73   0.000% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  21.25 +/- 1.40   0.000% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  33.43 +/- 1.59   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  24.04 +/- 1.97   0.000% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  33.63 +/- 1.35   0.000% *  0.0860% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  25.92 +/- 1.49   0.000% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 338 (7.75, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.88, residual support = 51.6:
          HN    GLU-  36 - HN    ASN   35   2.31 +/- 0.02  99.203% * 98.7867% (0.90   5.88  51.61) =  99.997%  kept
          HN    THR   39 - HN    ASN   35   5.20 +/- 0.17   0.780% *  0.3618% (0.97   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HN    ASN   35  11.58 +/- 1.93   0.012% *  0.2722% (0.73   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    ASN   35  12.66 +/- 0.30   0.004% *  0.1541% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    ASN   35  18.20 +/- 0.92   0.000% *  0.3674% (0.98   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   35  25.61 +/- 0.59   0.000% *  0.0578% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 55.3:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   2.00  55.35) = 100.000%  kept
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (4.38, 8.36, 120.50 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.55, residual support = 55.3:
      O   HA    ASN   35 - HN    ASN   35   2.85 +/- 0.00  99.775% * 99.5029% (0.98  10.0   4.55  55.35) = 100.000%  kept
          HA    LEU   40 - HN    ASN   35   8.47 +/- 0.32   0.149% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASN   35   9.82 +/- 0.81   0.066% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ASN   35  14.96 +/- 1.04   0.005% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ASN   35  16.74 +/- 2.33   0.004% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASN   35  24.25 +/- 2.33   0.000% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  28.17 +/- 1.56   0.000% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  26.90 +/- 0.95   0.000% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  31.13 +/- 0.92   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (7.19, 6.64, 111.61 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.44, residual support = 155.6:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  99.977% * 99.6989% (0.90  10.0   2.44 155.65) = 100.000%  kept
          HD1   TRP   27 - HE22  GLN   30   8.28 +/- 1.10   0.023% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HE22  GLN   30  16.76 +/- 1.41   0.000% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  25.57 +/- 2.27   0.000% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 2.44, residual support = 155.6:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00  99.999% * 99.8775% (0.92  10.0 10.00   2.44 155.65) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  13.55 +/- 1.51   0.001% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  22.18 +/- 1.04   0.000% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 344 (4.46, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.226, support = 0.0198, residual support = 0.0198:
          HA    VAL   42 - HN    GLN   30  11.74 +/- 0.44   6.889% *  6.4793% (0.25   0.02   0.02) =  46.136%  kept
          HA    VAL   42 - HN    LYS+  99   7.53 +/- 0.53  89.942% *  0.4257% (0.02   0.02   0.02) =  39.574%  kept
          HA    GLN   90 - HN    GLN   30  20.18 +/- 1.26   0.283% * 25.0767% (0.97   0.02   0.02) =   7.329%  kept
          HA    ALA  110 - HN    GLN   30  24.89 +/- 1.48   0.078% * 25.9267% (1.00   0.02   0.02) =   2.093%  kept
          HA    VAL  107 - HN    GLN   30  21.97 +/- 0.41   0.157% *  8.8635% (0.34   0.02   0.02) =   1.437%  kept
          HA    VAL  107 - HN    LYS+  99  14.41 +/- 0.27   1.929% *  0.5823% (0.02   0.02   0.02) =   1.161%  kept
          HA    PHE   55 - HN    GLN   30  28.45 +/- 1.12   0.034% * 21.7040% (0.84   0.02   0.02) =   0.754%  kept
          HA    ALA   91 - HN    GLN   30  23.14 +/- 0.54   0.115% *  5.7850% (0.22   0.02   0.02) =   0.690%  kept
          HA    ALA  110 - HN    LYS+  99  20.45 +/- 1.06   0.250% *  1.7034% (0.07   0.02   0.02) =   0.440%
          HA    GLN   90 - HN    LYS+  99  21.95 +/- 0.71   0.153% *  1.6475% (0.06   0.02   0.02) =   0.260%
          HA    PHE   55 - HN    LYS+  99  26.15 +/- 1.07   0.055% *  1.4259% (0.05   0.02   0.02) =   0.081%
          HA    ALA   91 - HN    LYS+  99  23.04 +/- 0.65   0.116% *  0.3801% (0.01   0.02   0.02) =   0.046%
    Distance limit 4.14 A violated in 20 structures by 3.26 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.822, support = 4.69, residual support = 40.6:
          HN    ALA   34 - HN    LYS+  33   2.44 +/- 0.04  67.595% * 79.2830% (0.90   4.62  44.16) =  89.227%  kept
          HN    GLN   32 - HN    LYS+  33   2.76 +/- 0.06  32.405% * 19.9677% (0.20   5.27  11.38) =  10.773%  kept
          HN    LEU   80 - HN    LYS+  33  18.03 +/- 0.55   0.000% *  0.3697% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  33  27.81 +/- 0.95   0.000% *  0.3797% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 55.3:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00 100.000% * 99.5403% (0.73  10.0   2.00  55.35) = 100.000%  kept
          HD2   HIS   22 - HD22  ASN   35  18.82 +/- 0.98   0.000% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  20.05 +/- 2.08   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  19.98 +/- 1.20   0.000% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HD22  ASN   35  22.83 +/- 1.18   0.000% *  0.0995% (0.73   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  32.00 +/- 2.17   0.000% *  0.1344% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 2.59 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 = 5.88, residual support = 51.6:
        T HN    ASN   35 - HN    GLU-  36   2.31 +/- 0.02  99.996% * 99.7986% (0.99 10.00   5.88  51.61) = 100.000%  kept
        T HN    LYS+  99 - HN    GLU-  36  13.14 +/- 0.94   0.003% *  0.1363% (0.14 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLU-  36  18.26 +/- 3.43   0.001% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.319, support = 3.67, residual support = 16.2:
          HN    GLU-  36 - HN    SER   37   2.41 +/- 0.04  87.182% * 39.6265% (0.25   3.97  19.02) =  82.419%  kept
          HN    THR   39 - HN    SER   37   3.33 +/- 0.08  12.811% * 57.5259% (0.65   2.22   2.99) =  17.581%  kept
          HN    TRP   27 - HN    SER   37  15.17 +/- 0.33   0.001% *  0.7929% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    SER   37  12.96 +/- 1.77   0.005% *  0.1083% (0.14   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    SER   37  19.43 +/- 1.25   0.000% *  0.3003% (0.38   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    SER   37  21.08 +/- 0.85   0.000% *  0.4852% (0.61   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    SER   37  23.94 +/- 0.94   0.000% *  0.5495% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    SER   37  28.11 +/- 0.55   0.000% *  0.6114% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.934, support = 5.2, residual support = 22.1:
          HN    THR   39 - HN    LYS+  38   2.65 +/- 0.09  85.676% * 83.2172% (0.95   5.31  22.80) =  96.928%  kept
          HN    GLU-  36 - HN    LYS+  38   3.58 +/- 0.02  14.299% * 15.8046% (0.57   1.68   0.63) =   3.072%  kept
          HN    LYS+ 102 - HN    LYS+  38  11.53 +/- 1.70   0.021% *  0.1244% (0.38   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    LYS+  38  16.08 +/- 0.33   0.002% *  0.2534% (0.76   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  38  21.01 +/- 0.91   0.000% *  0.3061% (0.92   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  18.99 +/- 1.30   0.001% *  0.0449% (0.14   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    LYS+  38  23.92 +/- 0.94   0.000% *  0.1131% (0.34   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  27.94 +/- 0.57   0.000% *  0.1363% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 351 (4.40, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 50.8:
      O   HA    ASN   35 - HN    GLU-  36   3.58 +/- 0.01  87.864% * 83.7673% (0.38  10.0   4.70  51.61) =  97.665%  kept
          HA    SER   37 - HN    GLU-  36   5.00 +/- 0.04  11.788% * 14.9232% (0.38   1.0   3.56  19.02) =   2.334%  kept
          HA    LEU   40 - HN    GLU-  36   9.82 +/- 0.24   0.209% *  0.2232% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU-  36  11.34 +/- 0.81   0.094% *  0.0557% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    GLU-  36  15.96 +/- 2.55   0.022% *  0.2111% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    GLU-  36  15.12 +/- 1.12   0.017% *  0.2111% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    GLU-  36  19.63 +/- 0.96   0.003% *  0.0838% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  36  25.26 +/- 2.39   0.001% *  0.1174% (0.53   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  36  28.22 +/- 0.93   0.000% *  0.2154% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  36  25.10 +/- 0.28   0.001% *  0.1001% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  29.85 +/- 1.56   0.000% *  0.0918% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 352 (4.08, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.06, residual support = 86.7:
      O   HA    GLU-  36 - HN    GLU-  36   2.84 +/- 0.01  99.999% * 99.7892% (0.69  10.0   6.06  86.71) = 100.000%  kept
          HA    LYS+  66 - HN    GLU-  36  22.99 +/- 0.99   0.000% *  0.0998% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  25.06 +/- 0.72   0.000% *  0.0822% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  26.35 +/- 2.39   0.000% *  0.0287% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 353 (4.42, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.07, residual support = 26.8:
      O   HA    SER   37 - HN    SER   37   2.92 +/- 0.00  99.804% * 99.4774% (0.97  10.0   4.07  26.81) = 100.000%  kept
          HA    LEU   40 - HN    SER   37   8.54 +/- 0.13   0.159% *  0.0542% (0.53   1.0   0.02   0.14) =   0.000%
          HA    SER   13 - HN    SER   37  14.71 +/- 2.63   0.014% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    SER   37  13.80 +/- 1.11   0.010% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    SER   37  13.38 +/- 0.20   0.011% *  0.0462% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    SER   37  18.50 +/- 1.00   0.002% *  0.0995% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  25.07 +/- 0.31   0.000% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  27.19 +/- 0.91   0.000% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (4.08, 7.91, 112.05 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.29, residual support = 19.0:
      O   HA    GLU-  36 - HN    SER   37   3.46 +/- 0.01  99.997% * 99.6452% (0.34  10.0   4.29  19.02) = 100.000%  kept
          HA    LYS+  66 - HN    SER   37  21.23 +/- 1.00   0.002% *  0.2819% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    SER   37  26.03 +/- 0.70   0.001% *  0.0728% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 355 (4.41, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.82, residual support = 13.2:
      O   HA    SER   37 - HN    LYS+  38   3.41 +/- 0.03  99.003% * 99.2058% (0.73  10.0   4.82  13.20) =  99.999%  kept
          HA    LEU   40 - HN    LYS+  38   7.44 +/- 0.13   0.920% *  0.1141% (0.84   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    LYS+  38  15.86 +/- 2.63   0.019% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LYS+  38  14.50 +/- 1.09   0.019% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    LYS+  38  12.92 +/- 0.18   0.034% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LYS+  38  18.98 +/- 0.98   0.003% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  25.21 +/- 0.25   0.001% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LYS+  38  27.13 +/- 0.91   0.000% *  0.1292% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  22.55 +/- 2.45   0.002% *  0.0304% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  28.81 +/- 1.59   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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   4.19 +/- 0.07  99.986% * 93.5619% (0.97   0.63   0.63) = 100.000%  kept
          HA    LYS+  66 - HN    LYS+  38  20.91 +/- 0.88   0.007% *  1.0458% (0.34   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  38  23.31 +/- 2.43   0.005% *  1.4923% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  38  26.40 +/- 0.70   0.002% *  2.7495% (0.90   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  38  31.67 +/- 1.59   0.001% *  1.1506% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 3.74, residual support = 38.1:
      O   HA    THR   39 - HN    THR   39   2.86 +/- 0.02  99.984% * 99.4345% (1.00  10.0   3.74  38.08) = 100.000%  kept
          HA    ILE  103 - HN    THR   39  13.30 +/- 0.49   0.010% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  18.85 +/- 3.30   0.002% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    THR   39  17.02 +/- 0.16   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  24.42 +/- 1.28   0.000% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  25.97 +/- 0.63   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  25.40 +/- 0.77   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  25.89 +/- 0.53   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  32.96 +/- 0.63   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 4.03, residual support = 23.7:
      O   HA    THR   39 - HN    LEU   40   2.30 +/- 0.01  99.989% * 99.4345% (1.00  10.0   4.03  23.71) = 100.000%  kept
          HA    ILE  103 - HN    LEU   40  10.95 +/- 0.48   0.009% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   40  14.48 +/- 0.20   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  20.40 +/- 2.82   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  21.14 +/- 1.27   0.000% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  25.78 +/- 0.57   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  24.46 +/- 0.73   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  24.52 +/- 0.48   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  30.21 +/- 0.66   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (4.40, 8.88, 128.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 99.0:
      O   HA    LEU   40 - HN    LEU   40   2.79 +/- 0.02  96.391% * 99.4414% (1.00  10.0   5.05  99.03) =  99.999%  kept
          HA    LYS+  99 - HN    LEU   40   5.14 +/- 0.64   3.306% *  0.0248% (0.25   1.0   0.02  13.40) =   0.001%
          HA    SER   37 - HN    LEU   40   8.41 +/- 0.12   0.131% *  0.0373% (0.38   1.0   0.02   0.14) =   0.000%
          HA    ASN   35 - HN    LEU   40   8.52 +/- 0.24   0.122% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   40  11.13 +/- 1.17   0.031% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   40  15.10 +/- 2.18   0.006% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LEU   40  15.66 +/- 2.34   0.006% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LEU   40  14.30 +/- 1.17   0.006% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   40  21.00 +/- 0.91   0.001% *  0.0960% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  21.00 +/- 0.34   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  22.76 +/- 1.55   0.000% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (4.85, 9.02, 128.16 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 4.52, residual support = 74.9:
      O   HA    VAL   41 - HN    VAL   41   2.92 +/- 0.01  99.992% * 99.4222% (0.22  10.0   4.52  74.88) = 100.000%  kept
          HA    PHE   45 - HN    VAL   41  14.87 +/- 0.25   0.006% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   41  17.60 +/- 0.64   0.002% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   41  23.92 +/- 0.42   0.000% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (4.40, 9.02, 128.16 ppm):
    11 chemical-shift based assignments, quality = 0.996, support = 4.93, residual support = 19.7:
      O   HA    LEU   40 - HN    VAL   41   2.26 +/- 0.03  83.028% * 96.9684% (1.00  10.0   4.94  19.79) =  99.475%  kept
          HA    LYS+  99 - HN    VAL   41   3.17 +/- 0.61  16.926% *  2.5111% (0.25   1.0   2.08   0.02) =   0.525%  kept
          HA    ASN   35 - HN    VAL   41   8.31 +/- 0.32   0.034% *  0.0364% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    VAL   41  13.30 +/- 1.13   0.002% *  0.0917% (0.95   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   41  11.06 +/- 0.20   0.006% *  0.0364% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  18.06 +/- 2.11   0.000% *  0.0917% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  16.70 +/- 2.14   0.001% *  0.0510% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   41  15.29 +/- 1.04   0.001% *  0.0364% (0.38   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   41  20.47 +/- 0.99   0.000% *  0.0936% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  18.29 +/- 0.31   0.000% *  0.0435% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  21.15 +/- 1.71   0.000% *  0.0399% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 5.05, residual support = 25.3:
        T HN    LEU   98 - HN    VAL   41   3.81 +/- 0.52 100.000% *100.0000% (0.97 10.00   5.05  25.33) = 100.000%  kept
    Distance limit 4.03 A violated in 1 structures by 0.11 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.46, residual support = 5.35:
          HA    PHE   72 - HN    VAL   42   4.45 +/- 0.39 100.000% *100.0000% (0.22   1.46   5.35) = 100.000%  kept
    Distance limit 4.06 A violated in 1 structures by 0.45 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.12, residual support = 23.3:
      O   HA    VAL   41 - HN    VAL   42   2.19 +/- 0.02  99.993% * 99.4222% (0.22  10.0   5.12  23.26) = 100.000%  kept
          HA    PHE   45 - HN    VAL   42  11.23 +/- 0.18   0.006% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   42  14.23 +/- 0.47   0.001% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   42  20.43 +/- 0.25   0.000% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 5.42, residual support = 88.6:
      O   HA    VAL   42 - HN    VAL   42   2.93 +/- 0.01  99.948% * 99.6568% (0.87  10.0   5.42  88.62) = 100.000%  kept
          HA    GLN   17 - HN    VAL   42  11.81 +/- 0.85   0.026% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   42  12.79 +/- 0.40   0.015% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  14.67 +/- 0.33   0.006% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  18.21 +/- 1.73   0.002% *  0.0650% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  18.58 +/- 0.92   0.002% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   42  22.19 +/- 1.37   0.001% *  0.0997% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 39.9:
      O   HA    VAL   42 - HN    VAL   43   2.21 +/- 0.02  99.990% * 99.7026% (1.00  10.0   5.05  39.91) = 100.000%  kept
          HA    THR   46 - HN    VAL   43  11.61 +/- 0.19   0.005% *  0.0566% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   43  13.34 +/- 0.81   0.002% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  14.84 +/- 0.74   0.001% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  16.72 +/- 0.30   0.001% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  14.66 +/- 1.44   0.001% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  19.39 +/- 1.05   0.000% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 1.62, residual support = 3.76:
          HA    LYS+  74 - HN    ASP-  44   3.77 +/- 0.27  99.091% * 93.4004% (0.28   1.62   3.76) =  99.989%  kept
          HA    VAL   41 - HN    ASP-  44   8.52 +/- 0.26   0.816% *  0.8207% (0.20   0.02   0.02) =   0.007%
          HA    MET   92 - HN    ASP-  44  12.80 +/- 0.90   0.076% *  3.5971% (0.87   0.02   0.02) =   0.003%
          HA    HIS  122 - HN    ASP-  44  16.31 +/- 0.97   0.018% *  2.1818% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.23 A, kept.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.71, residual support = 15.4:
      O   HA    VAL   43 - HN    ASP-  44   2.20 +/- 0.04  99.971% * 99.8182% (0.87  10.0   3.71  15.39) = 100.000%  kept
          HA    LEU   71 - HN    ASP-  44   8.95 +/- 0.54   0.024% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASP-  44  12.03 +/- 0.42   0.004% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    ASP-  44  14.88 +/- 0.49   0.001% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 3.77, residual support = 37.8:
      O   HA    ASP-  44 - HN    ASP-  44   2.92 +/- 0.00  99.931% * 98.9185% (0.49  10.0   3.77  37.81) = 100.000%  kept
          HB    THR   77 - HN    ASP-  44  11.72 +/- 0.42   0.024% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP-  44  14.17 +/- 0.52   0.008% *  0.2028% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  44  12.13 +/- 0.48   0.020% *  0.0627% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  44  15.05 +/- 0.41   0.005% *  0.1396% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  44  16.57 +/- 1.19   0.003% *  0.1992% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP-  44  14.37 +/- 0.36   0.007% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  44  22.63 +/- 1.59   0.001% *  0.2032% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  44  25.26 +/- 1.61   0.000% *  0.1069% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.3, residual support = 27.1:
        T HN    THR   94 - HN    PHE   45   3.22 +/- 0.21  99.936% * 99.8815% (0.84 10.00   3.30  27.13) = 100.000%  kept
          HN    GLU-  79 - HN    PHE   45  11.10 +/- 0.42   0.064% *  0.1185% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 372 (6.84, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.62, residual support = 80.4:
          QD    PHE   45 - HN    PHE   45   2.02 +/- 0.42  99.995% * 98.5418% (0.53   5.62  80.40) = 100.000%  kept
          HD2   HIS  122 - HN    PHE   45  13.43 +/- 0.80   0.004% *  0.6429% (0.97   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    PHE   45  17.95 +/- 1.63   0.000% *  0.6301% (0.95   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    PHE   45  17.98 +/- 1.35   0.000% *  0.1852% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (5.96, 8.74, 125.75 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 1.89, residual support = 1.89:
          HA    PHE   95 - HN    PHE   45   3.56 +/- 0.43 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.44 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 = 4.01, residual support = 80.4:
      O   HA    PHE   45 - HN    PHE   45   2.93 +/- 0.01  99.963% * 99.9134% (0.99  10.0   4.01  80.40) = 100.000%  kept
          HA    VAL   41 - HN    PHE   45  12.27 +/- 0.18   0.019% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    PHE   45  12.60 +/- 0.30   0.016% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  17.27 +/- 0.92   0.003% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (4.29, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.04, residual support = 19.2:
      O   HA    ASP-  44 - HN    PHE   45   2.30 +/- 0.02  99.934% * 99.3093% (1.00  10.0   4.04  19.23) = 100.000%  kept
          HB    THR   77 - HN    PHE   45   9.01 +/- 0.42   0.029% *  0.0984% (0.99   1.0   0.02   8.41) =   0.000%
          HA    SER   85 - HN    PHE   45  12.19 +/- 0.51   0.005% *  0.0984% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    PHE   45   9.57 +/- 0.82   0.023% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    PHE   45  13.24 +/- 0.50   0.003% *  0.0939% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    PHE   45  13.71 +/- 0.46   0.002% *  0.0602% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  13.28 +/- 0.41   0.003% *  0.0445% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  14.31 +/- 0.59   0.002% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  18.59 +/- 0.20   0.000% *  0.0522% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  20.33 +/- 1.17   0.000% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  29.22 +/- 1.63   0.000% *  0.0991% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  26.54 +/- 1.52   0.000% *  0.0483% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 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   4.47 +/- 0.14  99.528% * 94.4394% (0.22   4.42  12.49) =  99.997%  kept
          HE22  GLN   90 - HN    THR   46  12.45 +/- 2.20   0.392% *  0.2964% (0.15   0.02   0.02) =   0.001%
          HD2   HIS  122 - HN    THR   46  17.36 +/- 0.79   0.031% *  1.8173% (0.95   0.02   0.02) =   0.001%
          HE22  GLN   17 - HN    THR   46  17.62 +/- 1.63   0.033% *  1.1652% (0.61   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    THR   46  20.84 +/- 1.92   0.012% *  1.8540% (0.97   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    THR   46  24.12 +/- 0.74   0.004% *  0.4277% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.11 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.74, residual support = 3.94:
          HA    ASP-  76 - HN    THR   46   3.74 +/- 0.59  99.990% * 98.8092% (0.53   2.74   3.94) = 100.000%  kept
          HA    LEU   67 - HN    THR   46  18.68 +/- 0.85   0.010% *  1.1908% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 1 structures by 0.18 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   2.29 +/- 0.04  99.947% * 99.9017% (0.76  10.0   3.97  12.49) = 100.000%  kept
          HA    ASP-  78 - HN    THR   46   8.75 +/- 0.15   0.033% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46   9.82 +/- 0.77   0.019% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    THR   46  15.25 +/- 0.26   0.001% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.94 +/- 0.02  99.382% * 99.4016% (0.57  10.0   3.25  34.52) = 100.000%  kept
          HA    GLN   90 - HN    THR   46   8.14 +/- 2.08   0.563% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    THR   46  12.45 +/- 0.12   0.017% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    THR   46  12.25 +/- 1.62   0.024% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   46  14.73 +/- 0.69   0.007% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    THR   46  14.48 +/- 0.97   0.008% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    THR   46  25.23 +/- 0.46   0.000% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 3.62, residual support = 12.0:
          HN    THR   77 - HN    THR   46   3.63 +/- 0.13 100.000% *100.0000% (1.00   3.62  11.99) = 100.000%  kept
    Distance limit 4.55 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 = 0.894, support = 2.34, residual support = 10.9:
      O   HA    ALA   47 - HN    ALA   47   2.93 +/- 0.01  63.487% * 96.8065% (0.90  10.0   2.36  10.99) =  98.309%  kept
          HA    CYS   50 - HN    ALA   47   3.68 +/- 1.57  35.959% *  2.9393% (0.73   1.0   0.75   6.97) =   1.691%  kept
          HA    TRP   49 - HN    ALA   47   6.96 +/- 0.54   0.511% *  0.0568% (0.53   1.0   0.02  15.99) =   0.000%
          HA    VAL  108 - HN    ALA   47  11.03 +/- 0.84   0.025% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ALA   47  12.16 +/- 1.24   0.015% *  0.0741% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA   47  15.83 +/- 0.69   0.003% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 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   2.55 +/- 0.09  99.733% * 99.4016% (0.57  10.0   3.07  12.69) = 100.000%  kept
          HA    GLN   90 - HN    ALA   47   8.57 +/- 2.31   0.225% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    ALA   47  11.33 +/- 0.84   0.015% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   47  10.86 +/- 1.67   0.024% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ALA   47  15.91 +/- 0.18   0.002% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    ALA   47  16.40 +/- 0.94   0.002% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  29.13 +/- 0.58   0.000% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.834, support = 4.35, residual support = 15.3:
        T HN    TRP   49 - HN    SER   48   2.64 +/- 0.10  89.198% * 94.3325% (0.84 10.00   4.37  15.46) =  99.287%  kept
          HN    CYS   50 - HN    SER   48   3.96 +/- 0.87  10.796% *  5.5987% (0.61  1.00   1.63   0.02) =   0.713%  kept
          HN    VAL   83 - HN    SER   48  13.41 +/- 0.75   0.006% *  0.0223% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  19.67 +/- 0.91   0.001% *  0.0464% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 2.18, residual support = 6.26:
      O   HA    ALA   47 - HN    SER   48   2.35 +/- 0.02  98.512% * 99.6576% (0.90  10.0   2.18   6.26) =  99.999%  kept
          HA    CYS   50 - HN    SER   48   5.66 +/- 0.83   0.626% *  0.0807% (0.73   1.0   0.02   0.02) =   0.001%
          HA    TRP   49 - HN    SER   48   5.19 +/- 0.08   0.857% *  0.0585% (0.53   1.0   0.02  15.46) =   0.001%
          HA    VAL  108 - HN    SER   48  13.97 +/- 0.92   0.002% *  0.0890% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    SER   48  14.56 +/- 1.39   0.002% *  0.0763% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    SER   48  17.03 +/- 0.86   0.001% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 388 (7.35, 6.63, 116.57 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.62, residual support = 74.5:
          HD1   TRP   49 - HN    TRP   49   2.36 +/- 1.11  99.822% * 98.1853% (0.92   4.62  74.54) = 100.000%  kept
          QE    PHE   95 - HN    TRP   49  12.88 +/- 1.68   0.062% *  0.2982% (0.65   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   49  12.26 +/- 0.82   0.098% *  0.1149% (0.25   0.02   0.02) =   0.000%
          HN    THR   23 - HN    TRP   49  16.31 +/- 0.89   0.010% *  0.3166% (0.69   0.02   0.02) =   0.000%
          HD2   HIS   22 - HN    TRP   49  21.44 +/- 1.02   0.002% *  0.3691% (0.80   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   49  23.55 +/- 1.14   0.002% *  0.4518% (0.98   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    TRP   49  19.66 +/- 0.81   0.004% *  0.0912% (0.20   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    TRP   49  31.10 +/- 1.20   0.000% *  0.1730% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 3 structures by 0.20 A, kept.
 
    Peak 389 (9.45, 6.63, 116.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 4.37, residual support = 15.5:
        T HN    SER   48 - HN    TRP   49   2.64 +/- 0.10 100.000% *100.0000% (0.84 10.00   4.37  15.46) = 100.000%  kept
    Distance limit 3.61 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 = 0.968, support = 1.9, residual support = 6.66:
      O   HA    CYS   50 - HN    CYS   50   2.25 +/- 0.15  87.594% * 50.2945% (0.98  10.0   1.80   7.04) =  89.524%  kept
      O   HA    TRP   49 - HN    CYS   50   3.39 +/- 0.31  10.406% * 49.5338% (0.87  10.0   2.77   3.41) =  10.474%  kept
          HA    ALA   47 - HN    CYS   50   4.46 +/- 1.00   1.996% *  0.0323% (0.57   1.0   0.02   6.97) =   0.001%
          HA1   GLY  109 - HN    CYS   50  13.45 +/- 1.42   0.002% *  0.0551% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYS   50  13.51 +/- 0.94   0.002% *  0.0256% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYS   50  19.08 +/- 1.26   0.000% *  0.0392% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  27.76 +/- 0.81   0.000% *  0.0195% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 0.866, support = 4.12, residual support = 73.4:
      O   HA    TRP   49 - HN    TRP   49   2.83 +/- 0.15  86.360% * 79.8373% (0.87  10.0   4.15  74.54) =  98.173%  kept
          HA    CYS   50 - HN    TRP   49   4.65 +/- 0.41   5.224% * 12.3528% (0.98   1.0   2.74   3.41) =   0.919%  kept
          HA    ALA   47 - HN    TRP   49   4.19 +/- 0.15   8.405% *  7.5851% (0.57   1.0   2.91  15.99) =   0.908%  kept
          HA1   GLY  109 - HN    TRP   49  14.50 +/- 1.46   0.005% *  0.0888% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    TRP   49  14.56 +/- 1.01   0.005% *  0.0413% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    TRP   49  19.20 +/- 0.78   0.001% *  0.0632% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  28.42 +/- 0.82   0.000% *  0.0314% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 392 (7.36, 11.10, 134.86 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 2.08, residual support = 74.5:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  99.942% * 99.6863% (0.92  10.0   2.08  74.54) = 100.000%  kept
          QE    PHE   95 - HE1   TRP   49  11.51 +/- 2.31   0.056% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  17.93 +/- 1.62   0.001% *  0.0269% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE1   TRP   49  23.11 +/- 1.69   0.000% *  0.1070% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HE1   TRP   49  22.80 +/- 2.22   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  30.57 +/- 2.12   0.000% *  0.0902% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 1.39:
      O   HA    CYS   50 - HN    GLY   51   3.02 +/- 0.26  85.737% * 99.4352% (0.98  10.0   1.39   1.39) =  99.979%  kept
          HA    TRP   49 - HN    GLY   51   4.27 +/- 0.51  13.241% *  0.1264% (0.87   1.0   0.02   0.02) =   0.020%
          HA    ALA   47 - HN    GLY   51   6.71 +/- 1.12   0.986% *  0.0825% (0.57   1.0   0.02   0.02) =   0.001%
          HA1   GLY  109 - HN    GLY   51  12.59 +/- 1.52   0.023% *  0.1407% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    GLY   51  13.50 +/- 1.07   0.012% *  0.0653% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY   51  21.61 +/- 1.21   0.001% *  0.1001% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  28.92 +/- 0.69   0.000% *  0.0497% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (4.26, 9.57, 121.38 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 2.89, residual support = 9.97:
      O   HA1   GLY   51 - HN    GLY   51   2.28 +/- 0.08  99.972% * 99.5416% (0.92  10.0   2.89   9.98) = 100.000%  kept
          HA    ALA   57 - HN    GLY   51  10.33 +/- 0.75   0.013% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    GLY   51  10.53 +/- 0.87   0.012% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    GLY   51  16.04 +/- 1.15   0.001% *  0.0824% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  14.79 +/- 0.68   0.001% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  17.51 +/- 1.26   0.001% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  22.53 +/- 1.08   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  25.24 +/- 0.62   0.000% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  30.71 +/- 0.84   0.000% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  37.38 +/- 2.56   0.000% *  0.0213% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (7.87, 8.09, 110.83 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 6.14, residual support = 32.2:
        T HN    ARG+  54 - HN    CYS   53   2.67 +/- 0.09  99.994% * 99.1159% (0.98 10.00   6.14  32.22) = 100.000%  kept
        T HN    ASP-  62 - HN    CYS   53  13.54 +/- 0.69   0.006% *  0.7343% (0.73 10.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    CYS   53  24.57 +/- 0.99   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  30.84 +/- 0.86   0.000% *  0.0845% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (8.10, 7.87, 121.30 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 6.14, residual support = 32.2:
        T HN    CYS   53 - HN    ARG+  54   2.67 +/- 0.09  99.991% * 99.6035% (0.85 10.00   6.14  32.22) = 100.000%  kept
        T HN    CYS   53 - HN    ASP-  62  13.54 +/- 0.69   0.006% *  0.1864% (0.16 10.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ARG+  54  17.60 +/- 1.05   0.001% *  0.0763% (0.65  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  24.25 +/- 1.22   0.000% *  0.0379% (0.32  1.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  20.75 +/- 0.94   0.000% *  0.0143% (0.12  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  28.33 +/- 1.19   0.000% *  0.0629% (0.54  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  21.73 +/- 0.79   0.000% *  0.0118% (0.10  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  22.89 +/- 0.93   0.000% *  0.0071% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.256, support = 0.02, residual support = 0.02:
          HN    GLN   17 - HN    ASP-  62  11.37 +/- 0.79  75.350% *  4.3392% (0.10   0.02   0.02) =  54.503%  kept
          HN    TRP   87 - HN    ARG+  54  19.29 +/- 1.15   3.398% * 29.7440% (0.69   0.02   0.02) =  16.846%  kept
          HD21  ASN   69 - HN    ASP-  62  14.83 +/- 1.12  17.096% *  5.8573% (0.14   0.02   0.02) =  16.692%  kept
          HN    GLN   17 - HN    ARG+  54  21.00 +/- 1.03   1.938% * 23.1904% (0.54   0.02   0.02) =   7.491%  kept
          HD21  ASN   69 - HN    ARG+  54  25.90 +/- 1.35   0.562% * 31.3037% (0.72   0.02   0.02) =   2.931%  kept
          HN    TRP   87 - HN    ASP-  62  21.68 +/- 0.54   1.658% *  5.5654% (0.13   0.02   0.02) =   1.538%  kept
    Distance limit 3.75 A violated in 20 structures by 7.07 A, eliminated.
    Peak unassigned.
 
    Peak 400 (7.83, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 3.94, residual support = 18.1:
          HN    PHE   55 - HN    ILE   56   2.53 +/- 0.16  99.809% * 99.1162% (0.95   3.94  18.11) = 100.000%  kept
          HN    ASP-  62 - HN    ILE   56   9.73 +/- 0.58   0.034% *  0.1643% (0.31   0.02   0.02) =   0.000%
          HN    ALA   88 - HZ2   TRP   87   8.16 +/- 0.25   0.094% *  0.0200% (0.04   0.02   5.16) =   0.000%
          HN    LEU   31 - HZ2   TRP   87   9.39 +/- 2.53   0.061% *  0.0087% (0.02   0.02   1.82) =   0.000%
          HN    ALA   88 - HN    ILE   56  19.28 +/- 1.21   0.001% *  0.4619% (0.87   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    ILE   56  25.03 +/- 1.13   0.000% *  0.1998% (0.38   0.02   0.02) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  21.74 +/- 1.74   0.000% *  0.0219% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  20.60 +/- 0.86   0.000% *  0.0071% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 401 (7.40, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 5.18, residual support = 33.8:
          HN    ALA   57 - HN    ILE   56   3.19 +/- 0.80  99.701% * 99.0132% (0.87   5.18  33.82) =  99.999%  kept
          HE21  GLN  116 - HN    ILE   56  13.01 +/- 2.67   0.113% *  0.3531% (0.80   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE   56  17.11 +/- 1.90   0.012% *  0.3955% (0.90   0.02   0.02) =   0.000%
          HN    ALA  120 - HN    ILE   56  14.17 +/- 0.91   0.026% *  0.1813% (0.41   0.02   0.02) =   0.000%
          HE21  GLN   90 - HZ2   TRP   87  13.14 +/- 2.35   0.141% *  0.0172% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  20.48 +/- 1.44   0.004% *  0.0166% (0.04   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  22.16 +/- 1.79   0.002% *  0.0079% (0.02   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  25.23 +/- 2.13   0.001% *  0.0153% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 5 structures by 0.40 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.154, support = 5.04, residual support = 123.0:
      O   HA    ILE   56 - HN    ILE   56   2.91 +/- 0.03  99.373% * 95.8570% (0.15  10.0   5.04 123.04) =  99.997%  kept
          HA    PRO   58 - HN    ILE   56   7.66 +/- 0.43   0.321% *  0.5877% (0.95   1.0   0.02   0.02) =   0.002%
          HA    THR   46 - HN    ILE   56   8.53 +/- 0.98   0.203% *  0.4975% (0.80   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    ILE   56  17.01 +/- 1.10   0.003% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87  10.10 +/- 1.19   0.071% *  0.0053% (0.01   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ILE   56  22.00 +/- 0.89   0.001% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ILE   56  17.37 +/- 1.19   0.002% *  0.1229% (0.20   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  13.67 +/- 0.63   0.010% *  0.0216% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ILE   56  23.54 +/- 1.16   0.000% *  0.5189% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  14.32 +/- 1.53   0.008% *  0.0225% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ILE   56  19.02 +/- 0.96   0.001% *  0.1383% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ILE   56  28.59 +/- 1.48   0.000% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ILE   56  31.32 +/- 1.15   0.000% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  19.69 +/- 1.44   0.001% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  19.90 +/- 2.05   0.001% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  19.71 +/- 1.13   0.001% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  22.32 +/- 1.01   0.001% *  0.0255% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  24.59 +/- 1.93   0.000% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  21.01 +/- 2.20   0.001% *  0.0042% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  24.88 +/- 1.66   0.000% *  0.0060% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 403 (7.59, 7.41, 127.14 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.18, residual support = 33.8:
          HN    ILE   56 - HN    ALA   57   3.19 +/- 0.80  98.361% * 98.5676% (0.98   5.18  33.82) =  99.994%  kept
          HN    LEU   63 - HN    ALA   57   8.45 +/- 0.84   1.162% *  0.3586% (0.92   0.02   0.02) =   0.004%
          HN    LYS+ 111 - HN    ALA   57   9.66 +/- 1.68   0.468% *  0.3484% (0.90   0.02   0.02) =   0.002%
          HN    ALA   84 - HN    ALA   57  19.92 +/- 0.83   0.004% *  0.3484% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   57  20.48 +/- 1.44   0.003% *  0.0680% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   57  23.59 +/- 1.34   0.002% *  0.1199% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   57  31.70 +/- 1.48   0.000% *  0.1891% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 3 structures by 0.37 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 4.18, residual support = 20.2:
        T HN    PHE   60 - HN    PHE   59   2.72 +/- 0.12  99.785% * 97.7864% (0.47 10.00   4.18  20.24) = 100.000%  kept
        T HN    THR  118 - HN    PHE   59  10.07 +/- 0.87   0.048% *  0.6051% (0.29 10.00   0.02  10.66) =   0.000%
          HN    GLN  116 - HN    PHE   59   8.32 +/- 0.84   0.166% *  0.0282% (0.14  1.00   0.02   0.56) =   0.000%
        T HN    GLU-  15 - HN    PHE   59  19.64 +/- 0.95   0.001% *  1.5803% (0.76 10.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.37, 7.25, 119.50 ppm):
    7 chemical-shift based assignments, quality = 0.258, support = 4.8, residual support = 56.8:
      O   HA    PHE   59 - HN    PHE   59   2.77 +/- 0.04  75.829% * 86.5230% (0.24  10.0   4.97  58.47) =  95.633%  kept
          HA    ILE   56 - HN    PHE   59   3.54 +/- 0.59  24.143% * 12.4090% (0.69   1.0   0.99  20.29) =   4.367%  kept
          HA    ASP- 113 - HN    PHE   59  11.06 +/- 0.98   0.022% *  0.2514% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    PHE   59  13.86 +/- 1.05   0.006% *  0.2245% (0.62   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   59  20.71 +/- 1.10   0.000% *  0.2778% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    PHE   59  20.34 +/- 1.12   0.001% *  0.0555% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   59  27.25 +/- 1.07   0.000% *  0.2588% (0.71   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 4.47, residual support = 24.3:
      O   HA    ALA   57 - HN    ALA   57   2.68 +/- 0.21  99.934% * 99.2309% (0.76  10.0   4.47  24.30) = 100.000%  kept
          HA1   GLY   51 - HN    ALA   57  10.73 +/- 1.32   0.041% *  0.1273% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   57  11.40 +/- 1.17   0.020% *  0.0683% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   57  15.71 +/- 0.80   0.003% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   57  20.93 +/- 0.91   0.001% *  0.1287% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  20.71 +/- 1.23   0.000% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  21.17 +/- 1.14   0.000% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  24.48 +/- 1.51   0.000% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  32.19 +/- 1.89   0.000% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.988, support = 4.65, residual support = 33.8:
      O   HA    ILE   56 - HN    ALA   57   2.98 +/- 0.32  94.782% * 91.0059% (0.99  10.0   4.64  33.82) =  99.486%  kept
          HA    PRO   58 - HN    ALA   57   4.91 +/- 0.20   5.191% *  8.5768% (0.34   1.0   5.48  24.17) =   0.513%  kept
          HA    ASP- 113 - HN    ALA   57  12.51 +/- 0.85   0.021% *  0.0520% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   57  17.18 +/- 1.52   0.003% *  0.0916% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   57  22.46 +/- 1.54   0.001% *  0.0823% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  19.62 +/- 0.88   0.001% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  22.07 +/- 1.55   0.001% *  0.0447% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  28.51 +/- 1.43   0.000% *  0.0900% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  26.20 +/- 1.32   0.000% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (8.20, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 5.19, residual support = 41.9:
        T HN    PHE   60 - HN    ALA   61   2.73 +/- 0.11  99.969% * 97.7864% (0.61 10.00   5.19  41.93) = 100.000%  kept
        T HN    THR  118 - HN    ALA   61  12.54 +/- 0.79   0.012% *  0.6051% (0.38 10.00   0.02   0.02) =   0.000%
        T HN    GLU-  15 - HN    ALA   61  15.50 +/- 0.94   0.003% *  1.5803% (0.98 10.00   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    ALA   61  11.91 +/- 0.72   0.016% *  0.0282% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.551, support = 4.55, residual support = 36.6:
          QD    PHE   60 - HN    ALA   61   3.49 +/- 0.72  76.215% * 49.2222% (0.57   4.77  41.93) =  87.092%  kept
          HN    PHE   59 - HN    ALA   61   4.52 +/- 0.13  20.733% * 24.2996% (0.41   3.24   0.38) =  11.696%  kept
          QE    PHE   59 - HN    ALA   61   6.97 +/- 1.06   1.991% * 26.0297% (0.80   1.78   0.38) =   1.203%  kept
          HN    LYS+  66 - HN    ALA   61   7.51 +/- 0.21   1.059% *  0.3575% (0.98   0.02   0.02) =   0.009%
          HN    LYS+  81 - HN    ALA   61  21.33 +/- 0.92   0.002% *  0.0909% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 1.01, residual support = 1.0:
          HA    PRO   58 - HN    ALA   61   3.54 +/- 0.20  97.389% * 89.5686% (0.97   1.01   1.00) =  99.977%  kept
          HA    ILE   56 - HN    ALA   61   7.13 +/- 0.62   1.902% *  0.7586% (0.41   0.02   0.02) =   0.017%
          HA    GLN   17 - HN    ALA   61   9.09 +/- 0.86   0.435% *  0.6926% (0.38   0.02   0.02) =   0.003%
          HA    THR   46 - HN    ALA   61  10.08 +/- 0.63   0.208% *  0.8273% (0.45   0.02   0.02) =   0.002%
          HA    GLU-  15 - HN    ALA   61  14.20 +/- 0.63   0.026% *  1.7456% (0.95   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ALA   61  14.44 +/- 1.22   0.025% *  0.9709% (0.53   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   61  18.22 +/- 0.92   0.006% *  1.8454% (1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   61  20.82 +/- 1.32   0.003% *  1.7456% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   61  19.08 +/- 0.91   0.004% *  0.4601% (0.25   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   61  24.63 +/- 0.95   0.001% *  0.6926% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   61  24.82 +/- 0.99   0.001% *  0.6926% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.411, support = 2.0, residual support = 2.0:
          HA    ALA   57 - HN    ALA   61   4.32 +/- 0.52  98.985% * 84.4549% (0.41   2.00   2.00) =  99.979%  kept
          HA    ASP-  44 - HN    ALA   61   9.93 +/- 0.70   0.829% *  1.7831% (0.87   0.02   0.02) =   0.018%
          HA1   GLY   51 - HN    ALA   61  15.37 +/- 0.78   0.059% *  1.4927% (0.73   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ALA   61  17.07 +/- 0.84   0.033% *  1.8976% (0.92   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   61  18.84 +/- 0.64   0.017% *  2.0149% (0.98   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   61  19.98 +/- 0.98   0.012% *  1.7170% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   61  20.86 +/- 1.10   0.010% *  1.8436% (0.90   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   61  22.28 +/- 0.90   0.006% *  1.8976% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   61  17.35 +/- 1.26   0.035% *  0.3172% (0.15   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   61  26.93 +/- 1.73   0.003% *  1.7170% (0.84   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   61  23.71 +/- 1.70   0.006% *  0.4577% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   61  23.53 +/- 0.64   0.004% *  0.4068% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.20 A, kept.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.85, residual support = 42.4:
        T HN    ASP-  62 - HN    LEU   63   2.57 +/- 0.10  99.990% * 99.7221% (0.98 10.00   5.85  42.42) = 100.000%  kept
          HN    ARG+  54 - HN    LEU   63  14.13 +/- 0.73   0.004% *  0.0939% (0.92  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LEU   63  13.24 +/- 0.73   0.006% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LEU   63  19.97 +/- 0.60   0.000% *  0.0962% (0.95  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LEU   63  21.69 +/- 0.75   0.000% *  0.0495% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 413 (6.47, 7.59, 120.97 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.88, residual support = 54.6:
        T HN    ALA   64 - HN    LEU   63   2.73 +/- 0.14 100.000% *100.0000% (0.97 10.00   6.88  54.62) = 100.000%  kept
    Distance limit 3.29 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 = 4.64, residual support = 28.0:
        T HN    LYS+  65 - HN    ALA   64   2.55 +/- 0.12 100.000% *100.0000% (0.97 10.00   4.64  27.95) = 100.000%  kept
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (7.59, 6.46, 118.53 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.88, residual support = 54.6:
          HN    LEU   63 - HN    ALA   64   2.73 +/- 0.14  99.982% * 99.0124% (0.99   6.88  54.62) = 100.000%  kept
          HN    ILE   56 - HN    ALA   64  12.59 +/- 0.66   0.011% *  0.2748% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ALA   64  15.12 +/- 1.50   0.004% *  0.1762% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   64  18.18 +/- 0.73   0.001% *  0.1194% (0.41   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   64  20.10 +/- 0.90   0.001% *  0.1762% (0.61   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA   64  20.68 +/- 0.66   0.001% *  0.1762% (0.61   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   64  25.08 +/- 0.96   0.000% *  0.0647% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 4.64, residual support = 28.0:
        T HN    ALA   64 - HN    LYS+  65   2.55 +/- 0.12 100.000% *100.0000% (0.67 10.00   4.64  27.95) = 100.000%  kept
    Distance limit 3.35 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 = 6.24, residual support = 26.1:
          HN    LYS+  66 - HN    LYS+  65   2.48 +/- 0.12  99.530% * 99.3414% (0.68   6.24  26.12) =  99.999%  kept
          QD    PHE   60 - HN    LYS+  65   6.47 +/- 0.63   0.377% *  0.1839% (0.39   0.02   0.02) =   0.001%
          QE    PHE   59 - HN    LYS+  65   9.17 +/- 0.72   0.044% *  0.2601% (0.55   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+  65   8.90 +/- 0.20   0.048% *  0.1335% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    LYS+  65  24.36 +/- 0.77   0.000% *  0.0810% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 1.01, residual support = 3.8:
          HA    ASP-  62 - HN    LYS+  65   3.32 +/- 0.17  99.986% * 96.2796% (0.67   1.01   3.80) = 100.000%  kept
          HA    SER  117 - HN    LYS+  65  15.38 +/- 0.93   0.011% *  1.4276% (0.50   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LYS+  65  20.01 +/- 1.05   0.002% *  1.9485% (0.68   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LYS+  65  26.95 +/- 0.66   0.000% *  0.3443% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 6.24, residual support = 26.1:
        T HN    LYS+  65 - HN    LYS+  66   2.48 +/- 0.12 100.000% *100.0000% (0.97 10.00   6.24  26.12) = 100.000%  kept
    Distance limit 3.13 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 = 5.0, residual support = 115.7:
      O   HA    LYS+  66 - HN    LYS+  66   2.88 +/- 0.03  99.999% * 99.9389% (0.97  10.0   5.00 115.71) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  24.10 +/- 0.88   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  25.40 +/- 0.67   0.000% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.0762, support = 2.67, residual support = 46.8:
          HD22  ASN   28 - HE3   TRP   27   4.82 +/- 0.19  99.986% * 94.3817% (0.08   2.67  46.84) =  99.999%  kept
          HD22  ASN   28 - HN    LEU   67  21.31 +/- 0.81   0.014% *  5.6183% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 0 structures by 0.49 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.86, residual support = 57.4:
      O   HA    LEU   67 - HN    LEU   67   2.77 +/- 0.25  99.974% * 99.9623% (1.00  10.0   5.86  57.38) = 100.000%  kept
          HA    ASP-  76 - HE3   TRP   27  11.75 +/- 0.80   0.022% *  0.0028% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  16.81 +/- 1.23   0.002% *  0.0126% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HN    LEU   67  19.46 +/- 0.64   0.001% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 423 (4.08, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.56, residual support = 10.4:
      O   HA    LYS+  66 - HN    LEU   67   3.50 +/- 0.10  99.938% * 99.9186% (0.97  10.0   4.56  10.43) = 100.000%  kept
          HA    LYS+  81 - HE3   TRP   27  13.41 +/- 1.10   0.040% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  15.00 +/- 1.00   0.017% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   67  21.95 +/- 0.91   0.002% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  66 - HE3   TRP   27  20.11 +/- 0.98   0.003% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  25.17 +/- 0.62   0.001% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 424 (7.97, 8.82, 114.58 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 4.26, residual support = 27.5:
        T HN    VAL   70 - HN    ASN   69   2.65 +/- 0.63  99.996% * 99.9644% (0.87 10.00   4.26  27.50) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  16.51 +/- 1.01   0.004% *  0.0356% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.06 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.5, residual support = 61.2:
      O   HA    ASN   69 - HN    ASN   69   2.84 +/- 0.06  99.991% * 99.8231% (0.76  10.0   5.50  61.21) = 100.000%  kept
          HA    VAL   43 - HN    ASN   69  13.64 +/- 0.61   0.009% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASN   69  21.85 +/- 0.74   0.000% *  0.1133% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 3.2, residual support = 61.2:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00  99.999% * 99.9103% (0.52  10.0 10.00   3.20  61.21) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  13.67 +/- 1.55   0.001% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  28.78 +/- 1.29   0.000% *  0.0241% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (7.69, 6.66, 113.30 ppm):
    4 chemical-shift based assignments, quality = 0.518, support = 3.2, residual support = 61.2:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  99.999% * 99.7566% (0.52  10.0   3.20  61.21) = 100.000%  kept
          HN    GLN   17 - HD22  ASN   69  11.63 +/- 1.11   0.001% *  0.1078% (0.56   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HD22  ASN   69  24.05 +/- 1.65   0.000% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  20.86 +/- 1.70   0.000% *  0.0334% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (6.97, 7.98, 124.64 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.0, residual support = 41.4:
          QE    PHE   72 - HN    VAL   70   4.21 +/- 0.46  99.982% * 97.8595% (0.45   2.00  41.35) = 100.000%  kept
          HD22  ASN   28 - HN    VAL   70  18.36 +/- 0.59   0.018% *  2.1405% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.13 A, kept.
 
    Peak 429 (8.81, 7.98, 124.64 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.26, residual support = 27.5:
        T HN    ASN   69 - HN    VAL   70   2.65 +/- 0.63  99.975% * 99.8277% (0.76 10.00   4.26  27.50) = 100.000%  kept
          HN    ASP-  44 - HN    VAL   70  12.21 +/- 0.32   0.022% *  0.0259% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ASN   28 - HN    VAL   70  18.20 +/- 0.66   0.002% *  0.1236% (0.95  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    VAL   70  21.72 +/- 0.68   0.001% *  0.0229% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.07 A, kept.
 
    Peak 430 (4.69, 7.99, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.73, residual support = 27.5:
      O   HA    ASN   69 - HN    VAL   70   3.20 +/- 0.39  99.939% * 99.8197% (0.87  10.0   3.73  27.50) = 100.000%  kept
          HA    VAL   43 - HN    VAL   70  11.41 +/- 0.37   0.059% *  0.0743% (0.65   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    VAL   70  19.70 +/- 0.56   0.002% *  0.1060% (0.93   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (4.03, 7.98, 124.64 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 4.21, residual support = 82.8:
      O   HA    VAL   70 - HN    VAL   70   2.91 +/- 0.02  95.756% * 99.5350% (0.72  10.0   4.21  82.83) =  99.996%  kept
          HA1   GLY   16 - HN    VAL   70   6.27 +/- 1.82   4.081% *  0.0831% (0.60   1.0   0.02   0.02) =   0.004%
          HB2   SER   37 - HN    VAL   70  10.38 +/- 0.97   0.058% *  0.1265% (0.91   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    VAL   70   9.49 +/- 0.78   0.094% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   70  14.62 +/- 1.00   0.007% *  0.0564% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   70  16.43 +/- 1.61   0.004% *  0.0995% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   70  18.38 +/- 0.77   0.002% *  0.0381% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  26.92 +/- 1.13   0.000% *  0.0271% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (4.65, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.65, residual support = 139.2:
      O   HA    LEU   71 - HN    LEU   71   2.89 +/- 0.01  99.795% * 99.9402% (1.00  10.0   6.65 139.15) = 100.000%  kept
          HA    VAL   43 - HN    LEU   71   8.32 +/- 0.55   0.191% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LEU   71  12.73 +/- 0.39   0.014% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 5.14, residual support = 32.6:
      O   HA    VAL   70 - HN    LEU   71   2.25 +/- 0.02  99.836% * 99.5202% (1.00  10.0   5.14  32.57) = 100.000%  kept
          HA    VAL   18 - HN    LEU   71   8.38 +/- 0.70   0.044% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   71   8.79 +/- 1.19   0.037% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LEU   71   8.20 +/- 1.44   0.075% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   71  11.81 +/- 1.43   0.006% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   71  14.82 +/- 1.21   0.001% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   71  17.53 +/- 1.86   0.001% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  23.44 +/- 1.20   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  22.57 +/- 0.60   0.000% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 2.29, residual support = 4.31:
          HA    VAL   41 - HN    LEU   71   4.59 +/- 0.55  99.316% * 98.7904% (1.00   2.29   4.31) =  99.995%  kept
          HA    HIS  122 - HN    LEU   71  12.30 +/- 1.49   0.547% *  0.7209% (0.84   0.02   0.02) =   0.004%
          HA    PHE   45 - HN    LEU   71  14.23 +/- 0.35   0.138% *  0.4886% (0.57   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 5 structures by 0.68 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.606, support = 2.99, residual support = 5.17:
          HN    VAL   42 - HN    LEU   71   4.28 +/- 0.49  90.849% * 83.9145% (0.61   3.02   5.24) =  98.662%  kept
          HN    LEU   73 - HN    LEU   71   6.85 +/- 0.26   6.660% * 15.1875% (0.61   0.55   0.02) =   1.309%  kept
          HN    ILE   19 - HN    LEU   71   8.35 +/- 0.58   2.491% *  0.8980% (0.98   0.02   0.02) =   0.029%
    Distance limit 4.41 A violated in 0 structures by 0.10 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 5.6, residual support = 90.4:
          QD    PHE   72 - HN    PHE   72   2.78 +/- 0.34  99.870% * 98.9174% (0.45   5.60  90.37) =  99.999%  kept
          HD22  ASN   69 - HN    PHE   72   9.92 +/- 1.22   0.095% *  0.5725% (0.73   0.02   0.02) =   0.001%
          QE    PHE   45 - HN    PHE   72  10.95 +/- 0.48   0.035% *  0.5100% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (5.26, 9.36, 127.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.14, residual support = 90.4:
      O   HA    PHE   72 - HN    PHE   72   2.92 +/- 0.02 100.000% *100.0000% (0.53  10.0   5.14  90.37) = 100.000%  kept
    Distance limit 4.08 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 = 5.28, residual support = 19.7:
      O   HA    LEU   71 - HN    PHE   72   2.20 +/- 0.04  99.873% * 99.9402% (1.00  10.0   5.28  19.66) = 100.000%  kept
          HA    VAL   43 - HN    PHE   72   7.05 +/- 0.54   0.107% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    PHE   72   9.18 +/- 0.35   0.020% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 439 (4.83, 9.36, 127.59 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 0.02, residual support = 0.02:
          HA    THR   23 - HN    PHE   72  14.60 +/- 0.62  18.950% * 29.8815% (0.73   0.02   0.02) =  44.344%  kept
          HA    PHE   45 - HN    PHE   72  11.87 +/- 0.33  64.526% *  7.2068% (0.18   0.02   0.02) =  36.416%  kept
          HA    ASP-  78 - HN    PHE   72  20.80 +/- 0.21   2.234% * 39.7133% (0.97   0.02   0.02) =   6.949%  kept
          HB    THR   23 - HN    PHE   72  16.52 +/- 0.49   8.949% *  9.1616% (0.22   0.02   0.02) =   6.420%  kept
          HA    LEU   80 - HN    PHE   72  18.03 +/- 0.67   5.341% * 14.0368% (0.34   0.02   0.02) =   5.871%  kept
    Distance limit 4.29 A violated in 20 structures by 6.73 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.486, support = 1.28, residual support = 2.08:
          QE    PHE   60 - HN    LEU   73   5.47 +/- 1.45  91.745% * 81.2535% (0.49   1.29   2.10) =  99.214%  kept
          HN    LEU   63 - HN    LEU   73  10.11 +/- 0.86   3.735% * 12.8236% (0.41   0.24   0.02) =   0.638%  kept
          HZ2   TRP   87 - HN    LEU   73  11.22 +/- 1.19   2.698% *  2.5747% (0.99   0.02   0.02) =   0.092%
          HD21  ASN   28 - HN    LEU   73  12.08 +/- 1.06   1.577% *  2.5463% (0.98   0.02   0.38) =   0.053%
          HN    ILE   56 - HN    LEU   73  15.69 +/- 1.09   0.245% *  0.8018% (0.31   0.02   0.02) =   0.003%
    Distance limit 4.40 A violated in 12 structures by 1.24 A, kept.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.18, residual support = 170.5:
      O   HA    LEU   73 - HN    LEU   73   2.92 +/- 0.02 100.000% *100.0000% (0.95  10.0   6.18 170.45) = 100.000%  kept
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (5.26, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.16, residual support = 40.0:
      O   HA    PHE   72 - HN    LEU   73   2.22 +/- 0.03 100.000% *100.0000% (0.53  10.0   5.16  39.98) = 100.000%  kept
    Distance limit 2.97 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 = 0.534, support = 3.68, residual support = 7.8:
          HA    VAL   43 - HN    LEU   73   3.38 +/- 0.65  92.457% * 69.4641% (0.53   3.75   8.01) =  97.336%  kept
          HA    LEU   71 - HN    LEU   73   5.91 +/- 0.25   5.833% * 30.1055% (0.84   1.02   0.02) =   2.662%  kept
          HA    ALA   20 - HN    LEU   73   7.25 +/- 0.36   1.574% *  0.0953% (0.14   0.02   0.02) =   0.002%
          HA    ASN   69 - HN    LEU   73  11.96 +/- 0.38   0.062% *  0.1958% (0.28   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    LEU   73  11.87 +/- 0.44   0.074% *  0.1393% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.124, support = 3.89, residual support = 9.08:
        T HN    CYS   21 - HN    LYS+  74   3.00 +/- 0.29  99.982% * 95.8247% (0.12 10.00   3.89   9.08) = 100.000%  kept
        T HN    ILE  119 - HN    LYS+  74  18.16 +/- 0.67   0.002% *  3.0978% (0.40 10.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    LYS+  74  14.82 +/- 0.51   0.008% *  0.4381% (0.57  1.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    LYS+  74  16.85 +/- 0.54   0.004% *  0.5176% (0.67  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LYS+  74  17.47 +/- 0.59   0.003% *  0.1218% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.554, support = 3.66, residual support = 12.7:
        T HN    ILE   19 - HN    LYS+  74   3.76 +/- 0.41  70.396% * 72.7733% (0.54 10.00   3.25   8.69) =  86.652%  kept
          HN    LEU   73 - HN    LYS+  74   4.41 +/- 0.08  29.094% * 27.1224% (0.64  1.00   6.35  38.85) =  13.347%  kept
          HN    VAL   42 - HN    LYS+  74   8.77 +/- 0.64   0.502% *  0.0854% (0.64  1.00   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HN    LYS+  74  17.38 +/- 0.53   0.008% *  0.0188% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 5.43, residual support = 38.9:
      O   HA    LEU   73 - HN    LYS+  74   2.33 +/- 0.11 100.000% *100.0000% (0.68  10.0   5.43  38.85) = 100.000%  kept
    Distance limit 2.92 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 = 6.06, residual support = 186.8:
      O   HA    LYS+  74 - HN    LYS+  74   2.93 +/- 0.00  99.934% * 99.4309% (0.20  10.0   6.06 186.82) = 100.000%  kept
          HA    VAL   41 - HN    LYS+  74  10.37 +/- 0.84   0.060% *  0.0708% (0.14   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LYS+  74  15.53 +/- 1.28   0.005% *  0.3102% (0.61   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    LYS+  74  19.58 +/- 1.08   0.001% *  0.1882% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 3.75, residual support = 8.12:
          HA    ALA   20 - HN    LYS+  74   3.08 +/- 0.37  99.782% * 99.7098% (0.68   3.75   8.12) =  99.999%  kept
          HA    LEU   71 - HN    LYS+  74   8.94 +/- 0.21   0.218% *  0.2902% (0.37   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 6.04, residual support = 31.8:
      O   HA    LYS+  74 - HN    VAL   75   2.24 +/- 0.03  99.991% * 99.7992% (0.61  10.0   6.04  31.84) = 100.000%  kept
          HA    MET   92 - HN    VAL   75  11.34 +/- 1.42   0.009% *  0.1642% (1.00   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    VAL   75  20.21 +/- 0.94   0.000% *  0.0366% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 3.75, residual support = 36.1:
      O   HA    ASP-  76 - HN    ASP-  76   2.86 +/- 0.03  99.999% * 99.5538% (0.22  10.0   3.75  36.08) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  76  20.67 +/- 1.05   0.001% *  0.4462% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.50, 9.14, 128.89 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 3.97, residual support = 15.3:
      O   HA    VAL  107 - HN    VAL  108   2.20 +/- 0.01  99.908% * 99.5919% (0.65  10.0   3.97  15.34) = 100.000%  kept
          HA    LYS+ 111 - HN    VAL  108   7.56 +/- 0.93   0.079% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  108  10.94 +/- 1.46   0.010% *  0.1233% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  108  12.95 +/- 0.94   0.003% *  0.1058% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  19.86 +/- 0.43   0.000% *  0.1486% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 5.36, residual support = 28.4:
        T HN    ASP-  78 - HN    THR   77   2.78 +/- 0.02  98.581% * 99.9203% (0.98 10.00   5.36  28.42) =  99.999%  kept
          HN    VAL   75 - HN    THR   77   5.68 +/- 0.28   1.418% *  0.0618% (0.61  1.00   0.02   0.34) =   0.001%
          HN    LYS+ 112 - HN    THR   77  19.39 +/- 1.03   0.001% *  0.0179% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (9.28, 8.52, 119.25 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 5.36, residual support = 28.4:
        T HN    THR   77 - HN    ASP-  78   2.78 +/- 0.02 100.000% *100.0000% (1.00 10.00   5.36  28.42) = 100.000%  kept
    Distance limit 3.61 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 = 3.76, residual support = 17.1:
        T HN    GLU-  79 - HN    ASP-  78   2.51 +/- 0.12  99.985% * 99.9158% (0.99 10.00   3.76  17.07) = 100.000%  kept
          HN    THR   94 - HN    ASP-  78  10.99 +/- 0.59   0.015% *  0.0842% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 3.76, residual support = 17.1:
        T HN    ASP-  78 - HN    GLU-  79   2.51 +/- 0.12  99.909% * 99.9001% (0.56 10.00   3.76  17.07) = 100.000%  kept
          HN    VAL   75 - HN    GLU-  79   8.07 +/- 0.22   0.091% *  0.0999% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 4.25, residual support = 55.2:
      O   HA    GLU-  79 - HN    GLU-  79   2.89 +/- 0.03  97.339% * 99.4285% (0.60  10.0   4.25  55.22) =  99.998%  kept
          HB    THR   77 - HN    GLU-  79   5.36 +/- 0.32   2.616% *  0.0608% (0.37   1.0   0.02   0.02) =   0.002%
          HA    SER   85 - HN    GLU-  79  11.77 +/- 0.29   0.022% *  0.0608% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLU-  79  12.63 +/- 0.34   0.014% *  0.0528% (0.32   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    GLU-  79  15.66 +/- 1.07   0.004% *  0.0983% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    GLU-  79  16.39 +/- 1.00   0.003% *  0.0767% (0.47   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLU-  79  21.95 +/- 0.77   0.001% *  0.0728% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  25.43 +/- 0.42   0.000% *  0.1003% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  31.08 +/- 2.34   0.000% *  0.0488% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 17.1:
      O   HA    ASP-  78 - HN    GLU-  79   3.51 +/- 0.08  99.441% * 98.7485% (0.08  10.0   3.74  17.07) =  99.996%  kept
          HA    PHE   45 - HN    GLU-  79   8.37 +/- 0.34   0.555% *  0.7232% (0.60   1.0   0.02   0.02) =   0.004%
          HA    VAL   41 - HN    GLU-  79  19.09 +/- 0.37   0.004% *  0.3839% (0.32   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    GLU-  79  27.88 +/- 0.95   0.000% *  0.1444% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (5.00, 9.27, 119.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 10.8:
      O   HA    ASP-  76 - HN    THR   77   2.27 +/- 0.02 100.000% * 99.8354% (0.53  10.0   4.53  10.82) = 100.000%  kept
          HA    LEU   67 - HN    THR   77  21.97 +/- 0.92   0.000% *  0.1646% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 2.44:
          HA    ALA   47 - HN    THR   77   4.20 +/- 0.71  96.708% * 88.9651% (0.57   1.22   2.44) =  99.911%  kept
          HA    CYS   50 - HN    THR   77   8.81 +/- 1.50   2.023% *  2.5219% (0.98   0.02   0.02) =   0.059%
          HA    TRP   49 - HN    THR   77  10.01 +/- 0.55   0.791% *  2.2317% (0.87   0.02   0.02) =   0.020%
          HA    CYS   21 - HN    THR   77  12.43 +/- 0.62   0.238% *  1.7673% (0.69   0.02   0.02) =   0.005%
          HA    VAL  108 - HN    THR   77  12.90 +/- 0.78   0.163% *  1.1535% (0.45   0.02   0.02) =   0.002%
          HA1   GLY  109 - HN    THR   77  14.93 +/- 1.27   0.071% *  2.4829% (0.97   0.02   0.02) =   0.002%
          HA    LYS+ 102 - HN    THR   77  22.52 +/- 0.82   0.006% *  0.8776% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 2 structures by 0.24 A, kept.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.259, support = 1.2, residual support = 11.7:
          HA    THR   46 - HN    THR   77   5.59 +/- 0.38  65.292% * 80.8926% (0.25   1.22  11.99) =  97.664%  kept
          HA    GLN   90 - HN    THR   77   7.11 +/- 2.00  34.155% *  3.6406% (0.69   0.02   0.02) =   2.299%  kept
          HA    VAL   42 - HN    THR   77  15.15 +/- 0.28   0.163% *  4.5973% (0.87   0.02   0.02) =   0.014%
          HA    ALA  110 - HN    THR   77  14.68 +/- 1.47   0.223% *  3.0006% (0.57   0.02   0.02) =   0.012%
          HA    PHE   55 - HN    THR   77  16.65 +/- 0.90   0.090% *  4.5973% (0.87   0.02   0.02) =   0.008%
          HA    GLN   17 - HN    THR   77  17.37 +/- 0.45   0.071% *  1.6358% (0.31   0.02   0.02) =   0.002%
          HA    SER   37 - HN    THR   77  27.10 +/- 0.56   0.005% *  1.6358% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 11 structures by 0.95 A, kept.
 
    Peak 463 (4.29, 9.27, 119.07 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.02, residual support = 37.8:
      O   HB    THR   77 - HN    THR   77   3.48 +/- 0.01  98.161% * 99.1602% (0.76  10.0   4.02  37.77) =  99.999%  kept
          HA    GLU-  79 - HN    THR   77   7.07 +/- 0.13   1.409% *  0.0361% (0.28   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    THR   77   9.43 +/- 0.24   0.252% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   77  11.16 +/- 0.48   0.093% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    THR   77  13.65 +/- 0.29   0.027% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   77  12.55 +/- 1.00   0.050% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    THR   77  19.69 +/- 0.61   0.003% *  0.0839% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    THR   77  22.84 +/- 1.18   0.001% *  0.0942% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  22.70 +/- 0.52   0.001% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    THR   77  28.75 +/- 1.43   0.000% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  24.01 +/- 0.43   0.001% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   77  31.07 +/- 2.10   0.000% *  0.1126% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 5.13, residual support = 29.5:
        T HN    LEU   80 - HN    LYS+  81   3.60 +/- 0.20  96.936% * 98.5772% (0.65 10.00   5.13  29.47) =  99.998%  kept
          HN    SER   85 - HN    LYS+  81   6.49 +/- 0.17   3.045% *  0.0683% (0.45  1.00   0.02   0.02) =   0.002%
        T HN    ALA   34 - HN    LYS+  81  20.79 +/- 0.76   0.003% *  1.1646% (0.76 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    LYS+  81  18.36 +/- 0.70   0.006% *  0.1273% (0.84  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  81  16.93 +/- 0.95   0.010% *  0.0626% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.01 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.75, residual support = 11.9:
        T HN    SER   82 - HN    LYS+  81   2.56 +/- 0.09  99.965% * 99.8569% (1.00 10.00   3.75  11.89) = 100.000%  kept
          HN    GLN   90 - HN    LYS+  81  10.22 +/- 1.52   0.034% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    LYS+  81  24.48 +/- 0.56   0.000% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  22.26 +/- 1.13   0.000% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  27.41 +/- 0.87   0.000% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 5.15, residual support = 29.5:
      O   HA    LEU   80 - HN    LYS+  81   2.61 +/- 0.10  98.257% * 99.6041% (0.69  10.0   5.15  29.47) =  99.998%  kept
          HA    ASP-  78 - HN    LYS+  81   5.50 +/- 0.38   1.330% *  0.1372% (0.95   1.0   0.02   0.76) =   0.002%
          HA    THR   23 - HN    LYS+  81   7.34 +/- 0.39   0.215% *  0.1421% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+  81   7.74 +/- 0.90   0.197% *  0.0763% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LYS+  81  23.54 +/- 0.62   0.000% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 5.26, residual support = 101.4:
      O   HA    LYS+  81 - HN    LYS+  81   2.82 +/- 0.03  99.991% * 99.7055% (0.99  10.0   5.26 101.42) = 100.000%  kept
          HA    ASN   28 - HN    LYS+  81  13.87 +/- 0.79   0.007% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  81  20.54 +/- 1.50   0.001% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  27.00 +/- 0.76   0.000% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  23.32 +/- 0.80   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  35.09 +/- 1.15   0.000% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.17, 8.64, 114.33 ppm):
    6 chemical-shift based assignments, quality = 0.249, support = 3.93, residual support = 33.5:
      O   HA    SER   82 - HN    SER   82   2.80 +/- 0.02  99.956% * 98.7108% (0.25  10.0   3.93  33.46) = 100.000%  kept
          HA    GLU-  25 - HN    SER   82  10.70 +/- 0.70   0.035% *  0.3170% (0.80   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    SER   82  14.01 +/- 0.70   0.007% *  0.1486% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    SER   82  18.88 +/- 0.72   0.001% *  0.3820% (0.97   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    SER   82  19.02 +/- 1.03   0.001% *  0.3880% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    SER   82  26.49 +/- 1.35   0.000% *  0.0536% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.199, support = 0.02, residual support = 0.02:
          HB    THR   23 - HN    SER   82   8.80 +/- 0.92  99.648% * 32.4951% (0.20   0.02   0.02) =  99.272%  kept
          HA    ASP- 105 - HN    SER   82  23.21 +/- 0.82   0.352% * 67.5049% (0.41   0.02   0.02) =   0.728%  kept
    Distance limit 4.17 A violated in 20 structures by 4.62 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 = 20.3:
        T HN    VAL   83 - HN    SER   82   2.64 +/- 0.06  99.998% * 99.9274% (1.00 10.00   5.62  20.34) = 100.000%  kept
          HN    CYS   50 - HN    SER   82  16.00 +/- 1.12   0.002% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 3.75, residual support = 11.9:
          HN    LYS+  81 - HN    SER   82   2.56 +/- 0.09  99.991% * 99.2018% (1.00   3.75  11.89) = 100.000%  kept
          HE3   TRP   27 - HN    SER   82  12.96 +/- 1.30   0.007% *  0.1179% (0.22   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    SER   82  17.41 +/- 0.75   0.001% *  0.4241% (0.80   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  22.16 +/- 0.89   0.000% *  0.0928% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    SER   82  27.17 +/- 0.76   0.000% *  0.1635% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 7.6, residual support = 42.2:
        T HN    ALA   84 - HN    VAL   83   2.65 +/- 0.05  99.998% * 99.6823% (0.75 10.00   7.60  42.23) = 100.000%  kept
          HE21  GLN   32 - HN    VAL   83  19.01 +/- 1.93   0.001% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    VAL   83  21.34 +/- 0.84   0.000% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  21.46 +/- 0.92   0.000% *  0.0730% (0.55  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  22.87 +/- 0.88   0.000% *  0.0610% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 20.3:
        T HN    SER   82 - HN    VAL   83   2.64 +/- 0.06  99.954% * 99.8569% (0.75 10.00   5.62  20.34) = 100.000%  kept
          HN    GLN   90 - HN    VAL   83  10.03 +/- 1.16   0.045% *  0.0375% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    VAL   83  18.80 +/- 1.34   0.001% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    VAL   83  23.82 +/- 1.00   0.000% *  0.0525% (0.40  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  26.37 +/- 0.84   0.000% *  0.0308% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (8.05, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.77, residual support = 20.7:
        T HN    SER   85 - HN    ALA   84   2.77 +/- 0.05  99.974% * 99.8725% (0.99 10.00   3.77  20.74) = 100.000%  kept
          HN    THR   94 - HN    ALA   84  11.29 +/- 0.56   0.023% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ALA   84  16.84 +/- 0.68   0.002% *  0.0874% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  18.98 +/- 0.74   0.001% *  0.0176% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 7.6, residual support = 42.2:
        T HN    VAL   83 - HN    ALA   84   2.65 +/- 0.05  99.996% * 99.9274% (1.00 10.00   7.60  42.23) = 100.000%  kept
          HN    CYS   50 - HN    ALA   84  14.58 +/- 0.90   0.004% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 2.26, residual support = 5.56:
          HA    LYS+  81 - HN    ALA   84   3.40 +/- 0.16  99.940% * 95.7044% (0.80   2.26   5.56) = 100.000%  kept
          HA    ASN   28 - HN    ALA   84  12.25 +/- 0.73   0.049% *  0.5139% (0.49   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   84  20.10 +/- 1.30   0.003% *  1.0189% (0.97   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   84  20.37 +/- 0.78   0.002% *  0.4733% (0.45   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA   84  20.73 +/- 0.76   0.002% *  0.3259% (0.31   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   84  19.92 +/- 2.61   0.004% *  0.1849% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   84  25.16 +/- 0.76   0.001% *  0.7252% (0.69   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   84  32.10 +/- 1.08   0.000% *  1.0534% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.394, support = 0.02, residual support = 0.02:
          HA    GLU-  25 - HN    VAL   83   9.40 +/- 0.43  80.928% * 13.1508% (0.34   0.02   0.02) =  73.145%  kept
          HA    THR   26 - HN    VAL   83  12.60 +/- 0.51  14.076% * 21.2999% (0.55   0.02   0.02) =  20.606%  kept
          HA    CYS   53 - HN    VAL   83  18.62 +/- 0.97   1.449% * 27.0775% (0.70   0.02   0.02) =   2.696%  kept
          HA    ILE   19 - HN    VAL   83  17.62 +/- 0.85   1.937% * 20.1488% (0.52   0.02   0.02) =   2.683%  kept
          HA1   GLY  101 - HN    VAL   83  19.94 +/- 2.81   1.369% *  7.3142% (0.19   0.02   0.02) =   0.688%  kept
          HA    GLU- 114 - HN    VAL   83  25.05 +/- 1.33   0.240% * 11.0089% (0.28   0.02   0.02) =   0.182%
    Distance limit 4.17 A violated in 20 structures by 4.90 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 = 5.2:
        T HN    SER   85 - HN    VAL   83   4.30 +/- 0.07  84.467% * 99.5391% (0.58 10.00   2.60   5.20) =  99.992%  kept
          HN    LEU   80 - HN    VAL   83   5.72 +/- 0.12  15.464% *  0.0444% (0.26  1.00   0.02   0.02) =   0.008%
          HN    GLN   32 - HN    VAL   83  15.64 +/- 1.02   0.039% *  0.1300% (0.75  1.00   0.02   0.02) =   0.000%
        T HN    CYS   53 - HN    VAL   83  18.43 +/- 0.85   0.014% *  0.2281% (0.13 10.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    VAL   83  18.23 +/- 1.15   0.016% *  0.0584% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.06 A, kept.
 
    Peak 480 (8.63, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.38, residual support = 11.0:
          HN    SER   82 - HN    ALA   84   3.80 +/- 0.05  97.246% * 99.2568% (0.87   4.38  11.02) =  99.990%  kept
          HN    GLN   90 - HN    ALA   84   7.44 +/- 1.17   2.743% *  0.3587% (0.69   0.02   0.02) =   0.010%
          HN    ILE  103 - HN    ALA   84  18.10 +/- 1.17   0.009% *  0.2542% (0.49   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    ALA   84  23.48 +/- 0.69   0.002% *  0.1302% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 481 (8.32, 8.05, 111.48 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - HN    SER   85   2.54 +/- 0.10  99.996% * 97.4562% (0.80   3.33  13.43) = 100.000%  kept
          HN    GLN   30 - HN    SER   85  16.44 +/- 0.67   0.001% *  0.6335% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    SER   85  15.83 +/- 0.55   0.002% *  0.2741% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    SER   85  20.26 +/- 1.00   0.000% *  0.4724% (0.65   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    SER   85  24.07 +/- 2.30   0.000% *  0.5303% (0.73   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    SER   85  28.72 +/- 1.40   0.000% *  0.6335% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (7.59, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.77, residual support = 20.7:
          HN    ALA   84 - HN    SER   85   2.77 +/- 0.05  99.840% * 97.8189% (0.90   3.77  20.74) = 100.000%  kept
          HZ2   TRP   87 - HN    SER   85   8.58 +/- 0.69   0.126% *  0.1013% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    SER   85  10.88 +/- 1.14   0.032% *  0.1785% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    SER   85  19.05 +/- 0.95   0.001% *  0.5188% (0.90   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    SER   85  20.27 +/- 0.99   0.001% *  0.5670% (0.98   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    SER   85  22.94 +/- 0.66   0.000% *  0.5340% (0.92   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    SER   85  21.92 +/- 1.89   0.000% *  0.2816% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 5.2:
        T HN    VAL   83 - HN    SER   85   4.30 +/- 0.07  99.955% * 99.9526% (0.87 10.00   2.60   5.20) = 100.000%  kept
          HN    CYS   50 - HN    SER   85  15.80 +/- 1.13   0.045% *  0.0474% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.27 A, kept.
 
    Peak 484 (4.29, 8.05, 111.48 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 18.1:
      O   HA    SER   85 - HN    SER   85   2.79 +/- 0.03  96.720% * 99.3023% (0.99  10.0   3.65  18.15) =  99.998%  kept
          HA    ASP-  86 - HN    SER   85   5.00 +/- 0.10   2.983% *  0.0449% (0.45   1.0   0.02  13.43) =   0.001%
          HB    THR   77 - HN    SER   85   7.70 +/- 0.63   0.243% *  0.0993% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    SER   85  10.23 +/- 0.20   0.040% *  0.0608% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    SER   85  13.06 +/- 0.44   0.009% *  0.1002% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    SER   85  17.69 +/- 1.00   0.002% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  19.00 +/- 0.94   0.001% *  0.0412% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  20.17 +/- 0.93   0.001% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  25.01 +/- 0.72   0.000% *  0.0527% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  28.42 +/- 1.35   0.000% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  35.68 +/- 2.24   0.000% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  33.75 +/- 1.97   0.000% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.543, support = 0.02, residual support = 0.02:
          HA    THR   26 - HN    SER   85  16.37 +/- 0.32  10.630% * 23.1039% (0.98   0.02   0.02) =  30.215%  kept
          HA    ASN   28 - HN    SER   85  13.78 +/- 0.88  30.986% *  5.2476% (0.22   0.02   0.02) =  20.005%  kept
          HA    GLU-  25 - HN    SER   85  13.30 +/- 0.51  37.427% *  4.1279% (0.18   0.02   0.02) =  19.007%  kept
          HA    CYS   53 - HN    SER   85  17.43 +/- 1.23   8.217% * 14.2963% (0.61   0.02   0.02) =  14.452%  kept
          HA1   GLY  101 - HN    SER   85  20.32 +/- 2.34   3.846% * 13.3446% (0.57   0.02   0.02) =   6.315%  kept
          HA    GLU- 114 - HN    SER   85  22.90 +/- 1.35   1.544% * 17.1158% (0.73   0.02   0.02) =   3.251%  kept
          HA    ILE   19 - HN    SER   85  20.18 +/- 0.39   3.064% *  8.0401% (0.34   0.02   0.02) =   3.031%  kept
          HA    LEU  115 - HN    SER   85  20.91 +/- 0.87   2.578% *  5.8774% (0.25   0.02   0.02) =   1.864%  kept
          HA    ALA   34 - HN    SER   85  22.26 +/- 0.89   1.708% *  8.8463% (0.38   0.02   0.02) =   1.859%  kept
    Distance limit 3.74 A violated in 20 structures by 7.52 A, eliminated.
    Peak unassigned.
 
    Peak 486 (8.05, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 13.4:
        T HN    SER   85 - HN    ASP-  86   2.54 +/- 0.10  99.990% * 99.7141% (0.99 10.00   3.33  13.43) = 100.000%  kept
          HN    THR   94 - HN    ASP-  86  12.42 +/- 0.57   0.008% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  16.71 +/- 0.94   0.001% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
        T HN    ALA   34 - HN    ASP-  86  18.87 +/- 0.98   0.001% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 22.5:
          HN    TRP   87 - HN    ASP-  86   2.73 +/- 0.05  99.540% * 98.7385% (0.95   3.69  22.51) =  99.999%  kept
          HE3   TRP   87 - HN    ASP-  86   6.81 +/- 0.54   0.459% *  0.1746% (0.31   0.02  22.51) =   0.001%
          HN    GLN   17 - HN    ASP-  86  24.01 +/- 0.75   0.000% *  0.5646% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - HN    ASP-  86  25.66 +/- 1.51   0.000% *  0.5223% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.841, support = 4.02, residual support = 40.9:
      O   HA    ASP-  86 - HN    ASP-  86   2.72 +/- 0.01  81.173% * 84.6024% (0.87  10.0   4.05  41.92) =  96.361%  kept
      O   HA    SER   85 - HN    ASP-  86   3.53 +/- 0.02  17.229% * 15.0488% (0.15  10.0   3.27  13.43) =   3.638%  kept
          HA    TRP   87 - HN    ASP-  86   5.27 +/- 0.02   1.542% *  0.0271% (0.28   1.0   0.02  22.51) =   0.001%
          HB    THR   77 - HN    ASP-  86   9.53 +/- 0.51   0.047% *  0.0150% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  12.58 +/- 0.52   0.009% *  0.0193% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  86  19.31 +/- 1.09   0.001% *  0.0941% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  27.79 +/- 1.37   0.000% *  0.0900% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  33.01 +/- 2.16   0.000% *  0.0815% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  34.90 +/- 2.37   0.000% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 22.5:
          HN    ASP-  86 - HN    TRP   87   2.73 +/- 0.05  99.990% * 98.4310% (1.00   3.69  22.51) = 100.000%  kept
          HN    GLN   30 - HN    TRP   87  15.35 +/- 0.54   0.003% *  0.5336% (1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    TRP   87  15.30 +/- 0.49   0.003% *  0.3883% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    TRP   87  16.30 +/- 0.99   0.002% *  0.1651% (0.31   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    TRP   87  20.55 +/- 2.58   0.001% *  0.2007% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    TRP   87  27.17 +/- 1.43   0.000% *  0.2813% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.848, support = 3.98, residual support = 66.8:
      O   HA    TRP   87 - HN    TRP   87   2.94 +/- 0.00  77.416% * 78.1363% (0.90  10.0   4.03  70.42) =  92.499%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.61 +/- 0.01  22.581% * 21.7248% (0.25  10.0   3.39  22.51) =   7.501%  kept
          HA    LEU  104 - HN    TRP   87  16.94 +/- 1.07   0.002% *  0.0598% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  21.38 +/- 0.95   0.001% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  26.99 +/- 1.25   0.000% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  32.41 +/- 2.01   0.000% *  0.0194% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 1.86, residual support = 70.4:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  98.499% * 98.5162% (0.28  10.0   1.86  70.42) =  99.995%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   1.225% *  0.2771% (0.73   1.0   0.02  70.42) =   0.003%
          HN    ALA   91 - HE1   TRP   87  10.43 +/- 1.47   0.207% *  0.3783% (0.99   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HE1   TRP   87   9.27 +/- 1.68   0.068% *  0.3423% (0.90   1.0   0.02   6.00) =   0.000%
          HN    ALA   61 - HE1   TRP   87  18.10 +/- 0.72   0.001% *  0.3683% (0.97   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HE1   TRP   87  18.45 +/- 1.33   0.001% *  0.1178% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.801, support = 2.0, residual support = 6.0:
          HZ2   TRP   27 - HE1   TRP   87   5.47 +/- 1.65  99.296% * 99.7535% (0.80   2.00   6.00) =  99.998%  kept
          HZ    PHE   72 - HE1   TRP   87  16.99 +/- 1.51   0.704% *  0.2465% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.10 A violated in 10 structures by 1.42 A, kept.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.284, support = 2.95, residual support = 5.1:
      O   HA    TRP   87 - HN    ALA   88   3.23 +/- 0.09  27.977% * 95.2913% (0.28  10.0   2.98   5.16) =  98.828%  kept
          HA    ASP-  86 - HN    ALA   88   3.99 +/- 0.19   8.010% *  3.5255% (0.87   1.0   0.24   0.02) =   1.047%  kept
          HA    SER   85 - HN    ALA   88   2.81 +/- 0.11  63.963% *  0.0529% (0.15   1.0   0.02   0.02) =   0.125%
          HB    THR   77 - HN    ALA   88   9.80 +/- 0.56   0.037% *  0.0529% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   88  12.00 +/- 0.54   0.011% *  0.0678% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   88  17.73 +/- 1.13   0.001% *  0.3308% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   88  28.93 +/- 1.27   0.000% *  0.3164% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   88  34.43 +/- 2.07   0.000% *  0.2863% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  36.54 +/- 2.26   0.000% *  0.0763% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (4.32, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.604, support = 0.845, residual support = 18.9:
          HA    TRP   87 - HN    ILE   89   4.51 +/- 0.28  86.586% * 75.9650% (0.61   0.87  19.62) =  96.525%  kept
          HA    ASP-  86 - HN    ILE   89   6.27 +/- 0.42  13.373% * 17.7010% (0.53   0.23   0.02) =   3.474%  kept
          HA    LEU  104 - HN    ILE   89  17.63 +/- 1.06   0.026% *  2.7315% (0.95   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    ILE   89  19.98 +/- 0.91   0.012% *  0.4455% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE   89  27.65 +/- 1.27   0.002% *  1.7514% (0.61   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE   89  33.35 +/- 1.88   0.001% *  1.4055% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.24 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.75, residual support = 32.2:
          HN    ALA   91 - HN    GLN   90   2.52 +/- 0.43  99.958% * 99.1370% (0.92   6.75  32.19) = 100.000%  kept
          HE3   TRP   87 - HN    GLN   90  10.13 +/- 0.63   0.037% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLN   90  16.75 +/- 1.21   0.002% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLN   90  16.01 +/- 1.35   0.003% *  0.1930% (0.61   0.02   0.02) =   0.000%
          HN    GLN   17 - HN    GLN   90  22.38 +/- 1.17   0.000% *  0.0557% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.02 A, kept.
 
    Peak 496 (4.48, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.348, support = 5.46, residual support = 89.3:
      O   HA    GLN   90 - HN    GLN   90   2.47 +/- 0.31  96.983% * 68.5364% (0.34  10.0   5.49  90.06) =  98.635%  kept
          HA    ALA   91 - HN    GLN   90   4.84 +/- 0.40   2.967% * 31.0099% (0.87   1.0   3.56  32.19) =   1.365%  kept
          HA    VAL  107 - HN    GLN   90  12.05 +/- 1.17   0.016% *  0.1939% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    GLN   90  11.52 +/- 1.46   0.031% *  0.0901% (0.45   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    GLN   90  15.97 +/- 1.25   0.001% *  0.1300% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   90  16.30 +/- 1.11   0.001% *  0.0398% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (6.79, 7.39, 112.01 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 1.0, residual support = 90.1:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00 100.000% * 99.0596% (0.92  10.0 10.00   1.00  90.06) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  27.98 +/- 2.31   0.000% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  27.88 +/- 2.63   0.000% *  0.0441% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (7.38, 6.80, 112.00 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 1.0, residual support = 90.1:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  99.960% * 99.4024% (0.76  10.0   1.00  90.06) = 100.000%  kept
          HD21  ASN   35 - HE22  GLN   32   8.08 +/- 1.20   0.022% *  0.0646% (0.25   1.0   0.02   6.11) =   0.000%
          HD1   TRP   49 - HE22  GLN   90  13.10 +/- 3.45   0.018% *  0.0401% (0.15   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  14.28 +/- 0.83   0.000% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  19.62 +/- 1.70   0.000% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  23.38 +/- 3.38   0.000% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  26.87 +/- 1.86   0.000% *  0.1683% (0.65   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  26.44 +/- 3.82   0.000% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  27.98 +/- 2.31   0.000% *  0.0763% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  32.59 +/- 1.26   0.000% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  32.22 +/- 1.22   0.000% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  36.18 +/- 1.95   0.000% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 499 (8.62, 7.72, 122.85 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.75, residual support = 32.2:
        T HN    GLN   90 - HN    ALA   91   2.52 +/- 0.43  99.207% * 99.6698% (0.95 10.00   6.75  32.19) = 100.000%  kept
          HN    GLY  109 - HN    ALA   91   6.73 +/- 1.44   0.752% *  0.0554% (0.53  1.00   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  16.01 +/- 1.35   0.003% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.37 +/- 1.09   0.016% *  0.0235% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  18.74 +/- 1.14   0.001% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  11.25 +/- 0.86   0.020% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.28 +/- 1.06   0.001% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  20.83 +/- 0.81   0.000% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.03 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.15, support = 0.02, residual support = 12.6:
          HA    LEU   73 - HN    TRP   27   8.65 +/- 0.50  98.274% * 10.9973% (0.08   0.02  14.34) =  87.557%  kept
          HA    LEU   73 - HN    ALA   91  17.23 +/- 0.66   1.726% * 89.0027% (0.65   0.02   0.02) =  12.443%  kept
    Distance limit 4.28 A violated in 20 structures by 4.35 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.872, support = 2.82, residual support = 25.5:
      O   HA    ALA   91 - HN    ALA   91   2.91 +/- 0.02  41.322% * 89.2967% (1.00  10.0   2.46  12.88) =  85.759%  kept
      O   HA    TRP   27 - HN    TRP   27   2.75 +/- 0.02  58.574% * 10.4606% (0.12  10.0   4.98 101.26) =  14.241%  kept
          HA    VAL  107 - HN    ALA   91  11.45 +/- 1.47   0.016% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   91  10.24 +/- 1.63   0.070% *  0.0157% (0.18   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  11.18 +/- 1.24   0.016% *  0.0305% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  18.01 +/- 0.77   0.001% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  19.89 +/- 0.62   0.000% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.06 +/- 0.57   0.000% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.41 +/- 0.68   0.000% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  22.91 +/- 1.39   0.000% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 503 (4.88, 8.46, 118.59 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.21, residual support = 62.2:
      O   HA    MET   92 - HN    MET   92   2.33 +/- 0.20  99.980% * 99.1845% (0.25  10.0   4.21  62.19) = 100.000%  kept
          HA    PHE   45 - HN    MET   92  10.00 +/- 0.35   0.019% *  0.0992% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    MET   92  21.61 +/- 0.45   0.000% *  0.3185% (0.80   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    MET   92  23.78 +/- 1.27   0.000% *  0.3978% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 504 (4.50, 8.46, 118.59 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 2.89, residual support = 8.97:
      O   HA    ALA   91 - HN    MET   92   2.23 +/- 0.07  99.825% * 99.6892% (0.80  10.0   2.89   8.97) = 100.000%  kept
          HA    PRO   52 - HN    MET   92   7.25 +/- 1.25   0.161% *  0.0855% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    MET   92  12.04 +/- 0.89   0.005% *  0.0805% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    MET   92  11.09 +/- 1.28   0.009% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    MET   92  19.95 +/- 0.61   0.000% *  0.1201% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 27.1:
        T HN    PHE   45 - HN    THR   94   3.22 +/- 0.21  98.295% * 99.8946% (0.95 10.00   3.30  27.13) =  99.998%  kept
          HN    ALA  110 - HN    THR   94   6.69 +/- 1.20   1.705% *  0.1054% (1.00  1.00   0.02   0.02) =   0.002%
    Distance limit 4.11 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   8.49 +/- 0.43 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.21 A violated in 20 structures by 4.28 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 = 15.6:
      O   HA    PRO   93 - HN    THR   94   2.17 +/- 0.03  99.981% * 99.9112% (0.22  10.0   4.09  15.60) = 100.000%  kept
          HA    ASP-  76 - HN    THR   94   9.21 +/- 0.69   0.019% *  0.0888% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.968, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   6.00 +/- 0.23  88.044% * 54.6147% (1.00   0.02   0.02) =  92.427%  kept
          HA    LYS+  74 - HN    THR   94   8.45 +/- 0.49  11.816% * 33.1992% (0.61   0.02   0.02) =   7.540%  kept
          HA    HIS  122 - HN    THR   94  17.79 +/- 1.09   0.140% * 12.1862% (0.22   0.02   0.02) =   0.033%
    Distance limit 3.65 A violated in 20 structures by 2.23 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 = 45.5:
          HN    VAL  107 - HN    PHE   95   2.87 +/- 0.29  99.993% * 99.0525% (0.97   2.00  45.47) = 100.000%  kept
          HN    GLY   51 - HN    PHE   95  14.73 +/- 0.64   0.007% *  0.9475% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.84 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   3.45 +/- 0.58  99.445% * 99.3377% (0.87   3.86  73.51) =  99.999%  kept
          HN    ALA   47 - HN    PHE   95  10.81 +/- 0.44   0.152% *  0.5144% (0.87   0.02   0.02) =   0.001%
          QE    PHE   72 - HN    PHE   95  10.14 +/- 2.14   0.404% *  0.1479% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.11 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  10.0   4.33  73.51) = 100.000%  kept
    Distance limit 4.15 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   2.17 +/- 0.03  99.974% * 99.8515% (0.65  10.0   3.16  14.33) = 100.000%  kept
          HA    LYS+  74 - HN    PHE   95  10.28 +/- 0.42   0.009% *  0.1180% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    PHE   95   9.20 +/- 0.14   0.017% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.21 +/- 0.02 100.000% *100.0000% (0.95  10.0   4.00  11.99) = 100.000%  kept
    Distance limit 3.03 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   2.91 +/- 0.01  99.686% * 99.9800% (0.94  10.0   4.09 115.54) = 100.000%  kept
          HA    PHE   72 - HN    MET   96   7.76 +/- 0.65   0.314% *  0.0200% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 59.7:
        T HN    ASP- 105 - HN    PHE   97   3.51 +/- 0.38  99.950% * 99.9802% (1.00 10.00   4.66  59.70) = 100.000%  kept
          HN    ALA   88 - HN    PHE   97  13.17 +/- 0.72   0.050% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.04 A, kept.
 
    Peak 516 (7.12, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.09, residual support = 62.6:
          QD    PHE   97 - HN    PHE   97   2.81 +/- 0.49  99.842% * 98.9920% (0.80   4.09  62.60) =  99.999%  kept
          HZ3   TRP   87 - HN    PHE   97   9.04 +/- 1.02   0.158% *  0.5241% (0.87   0.02   0.02) =   0.001%
          HE3   TRP   49 - HN    PHE   97  23.13 +/- 1.62   0.001% *  0.4838% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 3.0, residual support = 10.4:
          HA    LYS+ 106 - HN    PHE   97   3.36 +/- 0.37 100.000% *100.0000% (0.98   3.00  10.43) = 100.000%  kept
    Distance limit 4.18 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 = 45.7:
      O   HA    MET   96 - HN    PHE   97   2.22 +/- 0.03  99.986% * 99.9800% (0.99  10.0   6.07  45.69) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97   9.87 +/- 0.65   0.014% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 5.05, residual support = 25.3:
        T HN    VAL   41 - HN    LEU   98   3.81 +/- 0.52 100.000% *100.0000% (0.69 10.00   5.05  25.33) = 100.000%  kept
    Distance limit 3.83 A violated in 1 structures by 0.18 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.2, residual support = 81.1:
      O   HA    LEU   98 - HN    LEU   98   2.93 +/- 0.01 100.000% *100.0000% (0.80  10.0   5.20  81.13) = 100.000%  kept
    Distance limit 4.04 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 = 3.46, residual support = 11.0:
      O   HA    PHE   97 - HN    LEU   98   2.20 +/- 0.00 100.000% *100.0000% (0.98  10.0   3.46  11.00) = 100.000%  kept
    Distance limit 3.03 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 = 0.46, support = 1.1, residual support = 2.03:
          HA    VAL   42 - HN    LEU   98   3.23 +/- 0.59  93.401% * 26.2303% (0.45   0.93   0.77) =  84.738%  kept
          HA    LEU   40 - HN    LEU   98   5.54 +/- 0.49   6.548% * 67.3844% (0.53   2.03   9.08) =  15.260%  kept
          HA    SER   37 - HN    LEU   98  14.77 +/- 0.47   0.015% *  1.2177% (0.97   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    LEU   98  15.04 +/- 0.98   0.013% *  0.9162% (0.73   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LEU   98  15.68 +/- 1.05   0.009% *  1.2177% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   98  15.95 +/- 0.52   0.009% *  1.2506% (0.99   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   98  18.68 +/- 0.83   0.004% *  0.8667% (0.69   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   98  20.61 +/- 1.85   0.002% *  0.9162% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.935, support = 0.778, residual support = 1.46:
          HN    LYS+ 102 - HN    LYS+  99   2.81 +/- 0.81  97.875% * 54.7018% (0.95   0.75   1.48) =  98.627%  kept
          HN    ASP- 105 - HN    LYS+  99   6.40 +/- 0.33   1.749% * 42.5587% (0.18   3.13   0.02) =   1.371%  kept
          HN    THR   39 - HN    LYS+  99  10.13 +/- 0.68   0.095% *  0.5825% (0.38   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    LYS+  99  13.14 +/- 0.94   0.019% *  1.2428% (0.80   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    GLN   30   9.42 +/- 0.27   0.173% *  0.0817% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  99  15.41 +/- 0.98   0.008% *  0.6381% (0.41   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLN   30  11.43 +/- 0.46   0.055% *  0.0383% (0.02   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLN   30  13.83 +/- 0.78   0.018% *  0.0419% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    GLN   30  15.95 +/- 2.11   0.004% *  0.0965% (0.06   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLN   30  18.33 +/- 0.65   0.003% *  0.0179% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.13 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.1, residual support = 16.6:
      O   HA    LEU   98 - HN    LYS+  99   2.31 +/- 0.08  99.998% * 99.9934% (0.99  10.0   4.10  16.57) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  14.84 +/- 0.92   0.002% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 5.16, residual support = 171.9:
      O   HA    LYS+  99 - HN    LYS+  99   2.93 +/- 0.01  99.868% * 99.5300% (0.80  10.0   5.16 171.88) = 100.000%  kept
          HA    ASN   35 - HN    LYS+  99  10.24 +/- 1.05   0.068% *  0.0804% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.85 +/- 0.30   0.039% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  16.81 +/- 1.66   0.003% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  14.69 +/- 1.03   0.007% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    LYS+  99  19.25 +/- 1.03   0.001% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  22.00 +/- 0.62   0.001% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  14.21 +/- 0.92   0.008% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  22.24 +/- 1.57   0.001% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  16.41 +/- 0.71   0.003% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  23.55 +/- 0.81   0.000% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  25.24 +/- 1.37   0.000% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  26.20 +/- 1.96   0.000% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  30.38 +/- 0.70   0.000% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (8.85, 10.11, 128.03 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.61, residual support = 14.9:
        T HN    GLY  101 - HN    GLU- 100   3.11 +/- 0.47  93.856% * 99.9864% (1.00 10.00   3.61  14.94) =  99.999%  kept
          HN    LEU   40 - HN    GLU- 100   5.19 +/- 0.59   6.144% *  0.0136% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.83, residual support = 39.7:
      O   HA    LYS+  99 - HN    GLU- 100   2.18 +/- 0.00  81.921% * 99.5956% (0.99  10.0   6.83  39.69) =  99.995%  kept
          HA    LEU   40 - HN    GLU- 100   3.01 +/- 0.52  17.954% *  0.0199% (0.20   1.0   0.02   0.02) =   0.004%
          HA    ASN   35 - HN    GLU- 100   6.75 +/- 0.92   0.125% *  0.0928% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 100  17.96 +/- 2.22   0.000% *  0.0805% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  24.34 +/- 1.76   0.000% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  20.86 +/- 1.21   0.000% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  25.04 +/- 0.84   0.000% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (7.77, 8.85, 104.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.13, residual support = 12.5:
          HN    LYS+ 102 - HN    GLY  101   2.72 +/- 0.79  99.681% * 98.8234% (0.95   3.13  12.52) =  99.999%  kept
          HN    THR   39 - HN    GLY  101   8.67 +/- 1.07   0.159% *  0.2506% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    GLY  101  10.72 +/- 1.21   0.050% *  0.5346% (0.80   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLY  101   9.61 +/- 0.46   0.105% *  0.1169% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLY  101  16.11 +/- 1.13   0.005% *  0.2745% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.745, residual support = 1.48:
          HN    LYS+  99 - HN    LYS+ 102   2.81 +/- 0.81  99.915% * 93.8751% (0.98   0.75   1.48) =  99.999%  kept
          HE1   HIS  122 - HN    LYS+ 102  13.25 +/- 4.30   0.051% *  2.4316% (0.95   0.02   0.02) =   0.001%
          HN    ASN   35 - HN    LYS+ 102  11.58 +/- 1.93   0.027% *  0.3966% (0.15   0.02   0.02) =   0.000%
          HN    GLN   30 - HN    LYS+ 102  15.95 +/- 2.11   0.004% *  0.6410% (0.25   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    LYS+ 102  22.64 +/- 1.82   0.001% *  2.1471% (0.84   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    LYS+ 102  18.58 +/- 1.37   0.002% *  0.5087% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.08 A, kept.
 
    Peak 531 (8.85, 7.76, 120.90 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.13, residual support = 12.5:
        T HN    GLY  101 - HN    LYS+ 102   2.72 +/- 0.79  99.935% * 99.9864% (1.00 10.00   3.13  12.52) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102   9.79 +/- 1.25   0.065% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.05 A, kept.
 
    Peak 532 (10.10, 8.85, 104.25 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.61, residual support = 14.9:
        T HN    GLU- 100 - HN    GLY  101   3.11 +/- 0.47 100.000% *100.0000% (0.80 10.00   3.61  14.94) = 100.000%  kept
    Distance limit 4.02 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 = 0.983, support = 1.42, residual support = 1.39:
          HA    LYS+  99 - HN    GLY  101   3.93 +/- 0.60  86.170% * 88.3190% (0.99   1.43   1.41) =  98.924%  kept
          HA    LEU   40 - HN    GLY  101   5.58 +/- 0.91  11.612% *  6.9109% (0.20   0.56   0.02) =   1.043%  kept
          HA    ASN   35 - HN    GLY  101   7.58 +/- 1.12   2.204% *  1.1508% (0.92   0.02   0.02) =   0.033%
          HA    LEU  123 - HN    GLY  101  19.64 +/- 1.97   0.008% *  0.9983% (0.80   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLY  101  24.87 +/- 1.68   0.002% *  1.1181% (0.90   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLY  101  25.16 +/- 0.65   0.002% *  1.1181% (0.90   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLY  101  21.94 +/- 1.43   0.003% *  0.3848% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.03 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   2.54 +/- 0.18  99.910% * 99.5220% (1.00  10.0   2.86  15.44) = 100.000%  kept
          HA    ALA   34 - HN    GLY  101   8.79 +/- 1.26   0.081% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLY  101  12.70 +/- 1.40   0.007% *  0.0833% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLY  101  17.69 +/- 1.60   0.001% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  19.97 +/- 1.36   0.000% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  21.24 +/- 1.07   0.000% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  20.53 +/- 1.71   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  28.47 +/- 1.66   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (9.36, 8.62, 122.05 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 6.56, residual support = 37.1:
          HN    LEU  104 - HN    ILE  103   4.62 +/- 0.04  99.944% * 99.3896% (0.49   6.56  37.09) = 100.000%  kept
          HN    PHE   72 - HN    ILE  103  16.38 +/- 1.01   0.056% *  0.6104% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.30 A, kept.
 
    Peak 536 (4.60, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.96, residual support = 22.4:
      O   HA    LYS+ 102 - HN    ILE  103   2.31 +/- 0.12  99.999% * 99.7796% (0.97  10.0   5.96  22.37) = 100.000%  kept
          HA    CYS   21 - HN    ILE  103  19.89 +/- 1.01   0.000% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ILE  103  18.80 +/- 0.64   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  21.15 +/- 0.78   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  25.35 +/- 1.33   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  29.08 +/- 1.09   0.000% *  0.0503% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (4.28, 8.62, 122.05 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 7.0, residual support = 138.3:
      O   HA    ILE  103 - HN    ILE  103   2.79 +/- 0.06  99.977% * 99.2916% (0.98  10.0   7.00 138.30) = 100.000%  kept
          HA    ASP-  44 - HN    ILE  103  13.86 +/- 0.55   0.007% *  0.0879% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ILE  103  13.81 +/- 0.62   0.007% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ILE  103  17.50 +/- 1.34   0.002% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  14.57 +/- 1.44   0.006% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ILE  103  21.48 +/- 0.95   0.000% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  24.78 +/- 1.07   0.000% *  0.0908% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  22.66 +/- 0.83   0.000% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  28.23 +/- 0.63   0.000% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  31.89 +/- 2.59   0.000% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  25.29 +/- 1.25   0.000% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  29.81 +/- 2.29   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 6.39, residual support = 37.8:
        T HN    ASP- 105 - HN    LEU  104   2.26 +/- 0.33  99.999% * 99.9802% (1.00 10.00   6.39  37.76) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  15.61 +/- 1.04   0.001% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 3.83, residual support = 8.93:
          HA    LEU   98 - HN    LEU  104   2.98 +/- 0.50 100.000% *100.0000% (0.80   3.83   8.93) = 100.000%  kept
    Distance limit 3.77 A violated in 0 structures by 0.02 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 5.98, residual support = 37.1:
      O   HA    ILE  103 - HN    LEU  104   2.29 +/- 0.11  99.988% * 99.2645% (0.95  10.0   5.98  37.09) = 100.000%  kept
          HA    ASP-  44 - HN    LEU  104  11.46 +/- 0.50   0.007% *  0.1049% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU  104  12.84 +/- 0.67   0.003% *  0.0552% (0.53   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  18.27 +/- 1.02   0.000% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  16.29 +/- 1.12   0.001% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU  104  20.64 +/- 0.73   0.000% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  19.16 +/- 0.76   0.000% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  24.57 +/- 0.71   0.000% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  23.14 +/- 1.35   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  25.71 +/- 0.62   0.000% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  30.49 +/- 2.34   0.000% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  28.07 +/- 2.30   0.000% *  0.0511% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 59.7:
        T HN    PHE   97 - HN    ASP- 105   3.51 +/- 0.38  99.920% * 99.7623% (0.73 10.00   4.66  59.70) = 100.000%  kept
          HN    LEU  115 - HN    ASP- 105  12.92 +/- 1.04   0.069% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
          HN    ASN   35 - HN    ASP- 105  16.73 +/- 0.71   0.010% *  0.0382% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ASP- 105  28.82 +/- 1.90   0.000% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 1 structures by 0.06 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 6.39, residual support = 37.8:
        T HN    LEU  104 - HN    ASP- 105   2.26 +/- 0.33  99.997% * 99.9822% (0.87 10.00   6.39  37.76) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  13.66 +/- 0.81   0.003% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 135.8:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.86 +/- 0.03 100.000% *100.0000% (0.95  10.0   5.17 135.84) = 100.000%  kept
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 544 (4.80, 8.97, 118.18 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.49, residual support = 19.4:
      O   HA    ASP- 105 - HN    LYS+ 106   2.49 +/- 0.05  99.999% * 99.6913% (0.92  10.0   3.49  19.38) = 100.000%  kept
          HA    LEU   80 - HN    LYS+ 106  21.31 +/- 0.57   0.000% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    LYS+ 106  21.77 +/- 0.81   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+ 106  24.02 +/- 1.07   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  22.91 +/- 0.67   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 545 (4.80, 7.80, 116.22 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.35, residual support = 41.3:
      O   HA    ASP- 105 - HN    ASP- 105   2.89 +/- 0.02  99.998% * 99.6913% (0.92  10.0   4.35  41.30) = 100.000%  kept
          HA    LEU   80 - HN    ASP- 105  21.47 +/- 0.71   0.001% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ASP- 105  21.24 +/- 0.88   0.001% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP- 105  23.42 +/- 1.08   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  24.22 +/- 0.55   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 546 (4.29, 7.80, 116.22 ppm):
    12 chemical-shift based assignments, quality = 0.37, support = 5.95, residual support = 34.4:
      O   HA    LEU  104 - HN    ASP- 105   3.61 +/- 0.04  72.993% * 76.7216% (0.34  10.0   6.26  37.76) =  90.506%  kept
          HA    ILE  103 - HN    ASP- 105   4.34 +/- 0.43  26.857% * 21.8731% (0.65   1.0   3.01   2.57) =   9.494%  kept
          HA    ASP-  44 - HN    ASP- 105  10.74 +/- 0.45   0.109% *  0.1879% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP- 105  13.70 +/- 0.51   0.025% *  0.0501% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP- 105  17.12 +/- 0.90   0.007% *  0.1801% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP- 105  18.56 +/- 0.86   0.004% *  0.1719% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ASP- 105  20.26 +/- 0.66   0.002% *  0.1719% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP- 105  23.01 +/- 1.26   0.001% *  0.1633% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP- 105  28.20 +/- 2.09   0.000% *  0.1879% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ASP- 105  24.64 +/- 0.63   0.001% *  0.0625% (0.28   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP- 105  30.76 +/- 2.10   0.000% *  0.1951% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  24.33 +/- 0.55   0.001% *  0.0347% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 547 (7.14, 9.57, 125.50 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 1.5, residual support = 2.43:
          QD    PHE   97 - HN    VAL  107   4.10 +/- 0.66  99.678% * 98.5222% (0.87   1.50   2.43) =  99.996%  kept
          HZ3   TRP   87 - HN    VAL  107  11.80 +/- 1.23   0.306% *  1.2126% (0.80   0.02   0.02) =   0.004%
          HE3   TRP   49 - HN    VAL  107  19.16 +/- 1.65   0.016% *  0.2652% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 2 structures by 0.20 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.58, residual support = 26.9:
      O   HA    LYS+ 106 - HN    VAL  107   2.20 +/- 0.02 100.000% *100.0000% (0.98  10.0   4.58  26.88) = 100.000%  kept
    Distance limit 3.04 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 = 58.2:
      O   HA    VAL  107 - HN    VAL  107   2.94 +/- 0.00  99.736% * 99.7406% (0.95  10.0   3.66  58.23) = 100.000%  kept
          HA    ALA  110 - HN    VAL  107   8.38 +/- 1.10   0.235% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  107  12.71 +/- 1.19   0.019% *  0.1052% (1.00   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  107  16.65 +/- 0.37   0.003% *  0.0997% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  107  14.58 +/- 0.72   0.007% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (7.14, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.85, residual support = 59.7:
          QD    PHE   97 - HN    ASP- 105   3.69 +/- 0.32  99.819% * 99.6166% (0.87   5.85  59.70) =  99.999%  kept
          HZ3   TRP   87 - HN    ASP- 105  11.44 +/- 1.34   0.180% *  0.3146% (0.80   0.02   0.02) =   0.001%
          HE3   TRP   49 - HN    ASP- 105  25.74 +/- 1.67   0.001% *  0.0688% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 0.27, support = 0.02, residual support = 0.02:
          HA    THR   94 - HN    GLY  109   4.32 +/- 0.76  86.669% * 19.2756% (0.26   0.02   0.02) =  83.077%  kept
          HA    MET   92 - HN    GLY  109   6.22 +/- 1.11  13.246% * 25.3346% (0.34   0.02   0.02) =  16.688%  kept
          HA    LYS+  74 - HN    GLY  109  14.11 +/- 0.90   0.085% * 55.3898% (0.74   0.02   0.02) =   0.234%
    Distance limit 4.27 A violated in 3 structures by 0.23 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 = 0.518, support = 2.21, residual support = 8.32:
      O   HA    VAL  108 - HN    GLY  109   2.24 +/- 0.04  71.612% * 31.6430% (0.34  10.0   2.33   7.44) =  53.968%  kept
      O   HA1   GLY  109 - HN    GLY  109   2.67 +/- 0.29  28.376% * 68.1141% (0.73  10.0   2.07   9.36) =  46.032%  kept
          HA    CYS   50 - HN    GLY  109  11.43 +/- 1.42   0.005% *  0.0692% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    GLY  109  11.29 +/- 1.07   0.005% *  0.0400% (0.43   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    GLY  109  15.27 +/- 1.67   0.001% *  0.0612% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  21.27 +/- 0.83   0.000% *  0.0485% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.32 +/- 0.46   0.000% *  0.0241% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 9.12:
          HN    LYS+ 111 - HN    ALA  110   3.21 +/- 0.52  98.492% * 97.3109% (0.90   3.04   9.12) =  99.989%  kept
          HN    ILE   56 - HN    ALA  110   7.58 +/- 1.85   1.443% *  0.6990% (0.98   0.02   5.34) =   0.011%
          HN    LEU   63 - HN    ALA  110  13.74 +/- 1.28   0.022% *  0.6583% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA  110  16.33 +/- 0.77   0.008% *  0.6396% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA  110  17.08 +/- 2.45   0.033% *  0.1249% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA  110  21.87 +/- 1.36   0.001% *  0.2201% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA  110  31.15 +/- 1.76   0.000% *  0.3471% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 554 (4.57, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.691, support = 2.03, residual support = 6.2:
      O   HA1   GLY  109 - HN    ALA  110   3.18 +/- 0.50  64.243% * 93.8842% (0.69  10.0   2.07   6.41) =  96.701%  kept
          HA    VAL  108 - HN    ALA  110   4.10 +/- 1.07  35.630% *  5.7754% (0.80   1.0   1.06   0.02) =   3.299%  kept
          HA    CYS   50 - HN    ALA  110  10.66 +/- 1.45   0.078% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    ALA  110  11.61 +/- 1.18   0.039% *  0.1226% (0.90   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ALA  110  14.73 +/- 1.87   0.010% *  0.0719% (0.53   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA  110  22.21 +/- 1.26   0.001% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 9.59:
      O   HA    ALA  110 - HN    ALA  110   2.38 +/- 0.21  99.177% * 98.1886% (0.18  10.0   2.74   9.59) =  99.996%  kept
          HA    ALA   91 - HN    ALA  110   8.05 +/- 1.59   0.342% *  0.5594% (1.00   1.0   0.02   0.02) =   0.002%
          HA    VAL  107 - HN    ALA  110   6.59 +/- 0.88   0.251% *  0.5304% (0.95   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    ALA  110   7.85 +/- 1.21   0.229% *  0.1912% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA  110  21.16 +/- 1.28   0.000% *  0.5304% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (8.49, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 5.34, residual support = 28.0:
        T HN    LYS+ 112 - HN    LYS+ 111   4.34 +/- 0.16  99.867% * 99.8172% (0.99 10.00   5.34  28.03) = 100.000%  kept
          HN    THR   46 - HN    LYS+ 111  13.93 +/- 1.06   0.101% *  0.0199% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LYS+  74 - HN    LYS+ 111  19.02 +/- 1.19   0.015% *  0.0570% (0.57  1.00   0.02   0.02) =   0.000%
          HN    ASP-  78 - HN    LYS+ 111  18.73 +/- 0.89   0.017% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  39.07 +/- 1.53   0.000% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.37 A, kept.
 
    Peak 557 (8.75, 7.58, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 9.12:
        T HN    ALA  110 - HN    LYS+ 111   3.21 +/- 0.52  99.927% * 99.9053% (1.00 10.00   3.04   9.12) = 100.000%  kept
          HN    PHE   45 - HN    LYS+ 111  11.49 +/- 1.17   0.073% *  0.0947% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 0.789, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  11.79 +/- 0.96  42.113% * 58.2608% (1.00   0.02   0.02) =  67.285%  kept
          HE22  GLN  116 - HN    LYS+ 111  12.15 +/- 1.15  36.520% * 19.8732% (0.34   0.02   0.02) =  19.903%  kept
          HD2   HIS  122 - HN    LYS+ 111  13.14 +/- 0.93  21.366% * 21.8659% (0.38   0.02   0.02) =  12.812%  kept
    Distance limit 4.33 A violated in 20 structures by 5.77 A, eliminated.
    Peak unassigned.
 
    Peak 559 (4.48, 7.58, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 3.04, residual support = 9.12:
      O   HA    ALA  110 - HN    LYS+ 111   2.68 +/- 0.30  98.409% * 99.3312% (0.45  10.0   3.04   9.12) =  99.997%  kept
          HA    VAL  107 - HN    LYS+ 111   5.83 +/- 1.21   1.437% *  0.2138% (0.97   1.0   0.02   0.02) =   0.003%
          HA    ALA   91 - HN    LYS+ 111  10.90 +/- 1.74   0.077% *  0.1922% (0.87   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LYS+ 111   9.31 +/- 1.09   0.067% *  0.0438% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LYS+ 111  13.90 +/- 1.14   0.009% *  0.0756% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LYS+ 111  22.84 +/- 1.30   0.000% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.05 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.1, residual support = 28.0:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.30 +/- 0.20  99.981% * 99.8075% (0.53  10.0   7.10  28.03) = 100.000%  kept
          HA    VAL  108 - HN    LYS+ 112   9.69 +/- 0.60   0.018% *  0.1074% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    LYS+ 112  16.89 +/- 1.28   0.001% *  0.0851% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (8.17, 8.43, 117.70 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 4.77, residual support = 23.8:
        T HN    GLU- 114 - HN    ASP- 113   2.51 +/- 0.17  97.387% * 99.7300% (0.81 10.00   4.77  23.78) =  99.997%  kept
          HN    GLN  116 - HN    ASP- 113   4.75 +/- 0.35   2.477% *  0.0946% (0.76  1.00   0.02   1.50) =   0.002%
          HN    THR  118 - HN    ASP- 113   7.69 +/- 0.42   0.128% *  0.0682% (0.55  1.00   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    ASP- 113  12.32 +/- 0.90   0.008% *  0.0433% (0.35  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ASP- 113  22.85 +/- 1.38   0.000% *  0.0639% (0.52  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 562 (8.43, 8.16, 121.97 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 4.77, residual support = 23.8:
        T HN    ASP- 113 - HN    GLU- 114   2.51 +/- 0.17 100.000% *100.0000% (1.00 10.00   4.77  23.78) = 100.000%  kept
    Distance limit 2.97 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 = 3.63, residual support = 44.3:
      O   HA    GLU- 114 - HN    GLU- 114   2.82 +/- 0.05  97.008% * 99.6055% (0.97  10.0   3.63  44.28) =  99.998%  kept
          HA    LEU  115 - HN    GLU- 114   5.06 +/- 0.15   2.975% *  0.0543% (0.53   1.0   0.02  15.17) =   0.002%
          HA    CYS   53 - HN    GLU- 114  12.20 +/- 0.81   0.016% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  24.21 +/- 1.18   0.000% *  0.0895% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  27.27 +/- 1.22   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLU- 114  30.14 +/- 0.87   0.000% *  0.0976% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  27.21 +/- 1.30   0.000% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (4.53, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 2.18, residual support = 4.37:
          HA    LYS+ 111 - HN    ASP- 113   3.82 +/- 0.50  99.545% * 99.1954% (0.74   2.18   4.37) =  99.999%  kept
          HA    VAL  108 - HN    ASP- 113  10.53 +/- 0.57   0.264% *  0.2621% (0.21   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    ASP- 113  12.15 +/- 1.00   0.181% *  0.3585% (0.29   0.02   0.02) =   0.001%
          HA    ALA   47 - HN    ASP- 113  18.97 +/- 1.14   0.010% *  0.1841% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.12 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.43, residual support = 14.3:
      O   HA    ASP- 113 - HN    ASP- 113   2.80 +/- 0.06  99.868% * 99.6702% (0.85  10.0   3.43  14.29) = 100.000%  kept
          HA    ILE   56 - HN    ASP- 113   9.36 +/- 1.27   0.099% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    ASP- 113  11.25 +/- 1.14   0.029% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASP- 113  16.54 +/- 0.37   0.002% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  23.44 +/- 1.02   0.000% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  20.61 +/- 0.89   0.001% *  0.0154% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  31.33 +/- 1.25   0.000% *  0.0646% (0.55   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.914, support = 7.46, residual support = 81.5:
        T HN    GLN  116 - HN    LEU  115   2.76 +/- 0.12  36.503% * 85.3112% (0.99 10.00   8.11 100.69) =  77.599%  kept
          HN    GLU- 114 - HN    LEU  115   2.51 +/- 0.16  61.971% * 14.5044% (0.65  1.00   5.21  15.17) =  22.398%  kept
          HN    THR  118 - HN    LEU  115   4.72 +/- 0.32   1.504% *  0.0814% (0.95  1.00   0.02   0.02) =   0.003%
          HN    PHE   60 - HN    LEU  115   9.65 +/- 0.92   0.022% *  0.0658% (0.76  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    LEU  115  19.28 +/- 1.38   0.000% *  0.0239% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  25.58 +/- 0.90   0.000% *  0.0133% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 8.11, residual support = 100.7:
        T HN    LEU  115 - HN    GLN  116   2.76 +/- 0.12  99.992% * 99.8619% (0.98 10.00   8.11 100.69) = 100.000%  kept
          HN    PHE   97 - HN    GLN  116  13.69 +/- 0.95   0.008% *  0.0999% (0.98  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLN  116  33.79 +/- 1.30   0.000% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 568 (8.67, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.5, residual support = 27.7:
        T HN    SER  117 - HN    GLN  116   2.63 +/- 0.15  99.999% * 99.8966% (0.97 10.00   5.50  27.73) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  21.06 +/- 1.12   0.000% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  27.09 +/- 0.84   0.000% *  0.0205% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.972, support = 4.36, residual support = 18.1:
        T HN    GLN  116 - HN    SER  117   2.63 +/- 0.15  55.155% * 50.9371% (0.99 10.00   5.50  27.73) =  57.311%  kept
        T HN    THR  118 - HN    SER  117   2.74 +/- 0.14  43.045% * 48.6147% (0.95 10.00   2.83   5.12) =  42.688%  kept
          HN    GLU- 114 - HN    SER  117   4.64 +/- 0.22   1.791% *  0.0332% (0.65  1.00   0.02   0.10) =   0.001%
        T HN    PHE   60 - HN    SER  117  11.30 +/- 0.44   0.009% *  0.3928% (0.76 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    SER  117  18.82 +/- 1.20   0.000% *  0.0143% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  25.49 +/- 0.79   0.000% *  0.0079% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (6.84, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 1.91, residual support = 115.2:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  99.995% * 99.8047% (0.95  10.0   1.91 115.17) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN  116   9.59 +/- 1.14   0.005% *  0.1065% (0.96   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HE21  GLN  116  17.88 +/- 1.65   0.000% *  0.0581% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  24.26 +/- 2.03   0.000% *  0.0307% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 571 (7.42, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 1.91, residual support = 115.2:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  99.818% * 99.7477% (0.90  10.0 10.00   1.91 115.17) = 100.000%  kept
          HN    ALA  120 - HE22  GLN  116   5.45 +/- 0.96   0.176% *  0.1090% (0.98   1.0  1.00   0.02   0.38) =   0.000%
          HN    ALA   57 - HE22  GLN  116  12.28 +/- 2.54   0.003% *  0.0929% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN  116  10.59 +/- 1.47   0.003% *  0.0195% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  25.98 +/- 3.14   0.000% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 +/- 0.30  96.755% * 91.8913% (1.00   0.75   1.50) =  99.946%  kept
          HA    PHE   59 - HN    GLN  116   7.76 +/- 1.05   2.015% *  1.4896% (0.61   0.02   0.56) =   0.034%
          HA    ILE   56 - HN    GLN  116   8.27 +/- 0.93   1.120% *  1.4896% (0.61   0.02   0.02) =   0.019%
          HA    LEU  123 - HN    GLN  116  12.11 +/- 0.50   0.099% *  1.1954% (0.49   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLN  116  20.05 +/- 1.30   0.005% *  1.9665% (0.80   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN  116  20.16 +/- 0.86   0.005% *  0.3789% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN  116  28.06 +/- 1.47   0.001% *  1.5887% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 573 (4.01, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 7.02, residual support = 115.2:
      O   HA    GLN  116 - HN    GLN  116   2.79 +/- 0.05  99.996% * 99.5202% (1.00  10.0   7.02 115.17) = 100.000%  kept
          HA    VAL   70 - HN    GLN  116  18.88 +/- 1.18   0.001% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN  116  18.91 +/- 0.93   0.001% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  19.83 +/- 1.05   0.001% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  21.42 +/- 1.07   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  29.90 +/- 1.23   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  27.30 +/- 1.32   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  28.72 +/- 0.87   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  30.36 +/- 1.06   0.000% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.954, support = 7.23, residual support = 201.5:
      O   HA    LEU  115 - HN    LEU  115   2.78 +/- 0.04  82.048% * 60.5049% (1.00  10.0   7.56 227.91) =  87.583%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.58 +/- 0.04  17.942% * 39.2280% (0.65  10.0   4.93  15.17) =  12.417%  kept
          HA    ARG+  54 - HN    LEU  115  13.24 +/- 0.64   0.007% *  0.0392% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  17.37 +/- 0.63   0.001% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  23.20 +/- 1.25   0.000% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU  115  25.67 +/- 1.14   0.000% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  25.55 +/- 1.22   0.000% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  22.43 +/- 0.79   0.000% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  28.35 +/- 0.75   0.000% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (4.22, 8.66, 115.11 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.59, residual support = 15.2:
      O   HA    SER  117 - HN    SER  117   2.75 +/- 0.05  99.992% * 99.4282% (0.38  10.0   3.59  15.20) = 100.000%  kept
          HA    ASP-  62 - HN    SER  117  13.58 +/- 1.06   0.008% *  0.2506% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    SER  117  28.44 +/- 0.78   0.000% *  0.2025% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    SER  117  27.86 +/- 1.01   0.000% *  0.1188% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (7.91, 7.43, 118.69 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.58, residual support = 55.4:
        T HN    ILE  119 - HN    ALA  120   2.58 +/- 0.06  99.999% * 99.2864% (0.83 10.00   5.58  55.40) = 100.000%  kept
        T HN    CYS   21 - HN    ALA  120  22.93 +/- 0.75   0.000% *  0.4963% (0.41 10.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    ALA  120  21.59 +/- 0.66   0.000% *  0.1105% (0.92  1.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    ALA  120  25.43 +/- 1.58   0.000% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 6.81, residual support = 50.9:
          HN    HIS  122 - HN    LYS+ 121   2.72 +/- 0.02  99.485% * 99.4604% (0.80   6.81  50.89) = 100.000%  kept
          QE    PHE   59 - HN    LYS+ 121   7.04 +/- 0.92   0.501% *  0.0728% (0.20   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+ 121  12.16 +/- 0.88   0.013% *  0.1772% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LYS+ 121  20.87 +/- 1.82   0.001% *  0.2895% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 5.32, residual support = 31.1:
          HN    LEU  123 - HN    HIS  122   2.11 +/- 0.13  99.889% * 99.5368% (0.26   5.32  31.06) = 100.000%  kept
          HN    ALA  124 - HN    HIS  122   6.58 +/- 0.12   0.110% *  0.1285% (0.09   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    HIS  122  20.84 +/- 1.52   0.000% *  0.1757% (0.12   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HN    HIS  122  23.89 +/- 2.34   0.000% *  0.1590% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 5.32, residual support = 31.1:
          HN    HIS  122 - HN    LEU  123   2.11 +/- 0.13  99.953% * 99.0457% (0.87   5.32  31.06) = 100.000%  kept
          QE    PHE   59 - HN    LEU  123   8.83 +/- 1.40   0.045% *  0.2258% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LEU  123  13.14 +/- 0.96   0.002% *  0.3849% (0.90   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LEU  123  22.73 +/- 1.78   0.000% *  0.3436% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 4.08, residual support = 12.2:
      O   HA    LEU  123 - HN    ALA  124   2.29 +/- 0.01  99.996% * 99.5133% (1.00  10.0   4.08  12.20) = 100.000%  kept
          HA    LYS+  99 - HN    ALA  124  17.38 +/- 2.02   0.001% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ALA  124  16.06 +/- 0.56   0.001% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ALA  124  18.40 +/- 1.09   0.000% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  17.46 +/- 2.21   0.001% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  16.76 +/- 1.32   0.001% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  19.43 +/- 1.99   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  24.86 +/- 2.44   0.000% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  24.49 +/- 2.41   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 581 (4.11, 7.45, 128.80 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 1.81, residual support = 9.22:
      O   HA    ALA  124 - HN    ALA  124   2.74 +/- 0.23  99.994% * 99.5728% (1.00  10.0   1.81   9.22) = 100.000%  kept
          HA    LEU  115 - HN    ALA  124  14.74 +/- 0.69   0.005% *  0.0495% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA  124  23.79 +/- 1.20   0.000% *  0.1065% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  22.44 +/- 2.34   0.000% *  0.0341% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  27.57 +/- 2.49   0.000% *  0.0758% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  22.74 +/- 1.73   0.000% *  0.0193% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  28.58 +/- 2.02   0.000% *  0.0537% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  32.74 +/- 1.13   0.000% *  0.0884% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 582 (4.88, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 31.1:
      O   HA    HIS  122 - HN    LEU  123   3.42 +/- 0.03  99.987% * 99.8702% (1.00  10.0   4.26  31.06) = 100.000%  kept
          HA    VAL   41 - HN    LEU  123  16.77 +/- 1.70   0.009% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    LEU  123  20.40 +/- 0.75   0.002% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  22.23 +/- 1.06   0.001% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 583 (4.38, 7.46, 121.46 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.95, residual support = 200.3:
      O   HA    LEU  123 - HN    LEU  123   2.83 +/- 0.05  99.963% * 99.5133% (1.00  10.0   5.95 200.31) = 100.000%  kept
          HA    ASP- 113 - HN    LEU  123  12.60 +/- 0.55   0.013% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    LEU  123  15.00 +/- 1.75   0.006% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU  123  15.33 +/- 1.01   0.004% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    LEU  123  15.44 +/- 1.86   0.006% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU  123  14.85 +/- 1.05   0.005% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU  123  23.13 +/- 2.03   0.000% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  19.00 +/- 1.39   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  24.82 +/- 1.82   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 6.71, residual support = 68.7:
          HD2   HIS  122 - HN    HIS  122   3.10 +/- 0.35  99.672% * 97.2291% (0.11   6.71  68.74) =  99.999%  kept
          HE22  GLN  116 - HN    HIS  122   8.72 +/- 1.05   0.327% *  0.3201% (0.12   0.02   0.02) =   0.001%
          HE22  GLN   17 - HN    HIS  122  22.07 +/- 1.57   0.001% *  0.9198% (0.35   0.02   0.02) =   0.000%
          HE22  GLN   90 - HN    HIS  122  26.16 +/- 2.97   0.000% *  0.7171% (0.27   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    HIS  122  30.07 +/- 1.66   0.000% *  0.8139% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 585 (4.88, 7.24, 114.00 ppm):
    3 chemical-shift based assignments, quality = 0.295, support = 5.25, residual support = 68.7:
      O   HA    HIS  122 - HN    HIS  122   2.91 +/- 0.02  99.993% * 99.8131% (0.30  10.0   5.25  68.74) = 100.000%  kept
          HA    VAL   41 - HN    HIS  122  15.26 +/- 1.50   0.006% *  0.1192% (0.35   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    HIS  122  18.68 +/- 0.62   0.001% *  0.0677% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 588 (3.95, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.56, support = 5.66, residual support = 234.9:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.76 +/- 0.01  80.290% * 38.4533% (0.49  10.0   6.32 314.85) =  74.421%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.56 +/- 0.03  17.343% * 61.1842% (0.77  10.0   3.74   2.26) =  25.578%  kept
          QB    SER  117 - HN    LYS+ 121   5.07 +/- 0.46   2.359% *  0.0176% (0.22   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    LYS+ 121  15.04 +/- 1.49   0.004% *  0.0569% (0.72   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  16.65 +/- 0.57   0.002% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+ 121  18.77 +/- 1.24   0.001% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  24.24 +/- 0.81   0.000% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  24.13 +/- 1.09   0.000% *  0.0508% (0.64   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  21.67 +/- 1.12   0.000% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  23.67 +/- 1.18   0.000% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  23.34 +/- 1.04   0.000% *  0.0098% (0.12   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  26.17 +/- 1.35   0.000% *  0.0111% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 3.61, residual support = 14.4:
      O   HA    ALA  120 - HN    ALA  120   2.78 +/- 0.05  94.744% * 99.2369% (0.74  10.0   3.61  14.41) =  99.998%  kept
          HA    LYS+ 121 - HN    ALA  120   5.15 +/- 0.15   2.454% *  0.0465% (0.35   1.0   0.02   2.26) =   0.001%
          QB    SER  117 - HN    ALA  120   5.04 +/- 0.17   2.791% *  0.0168% (0.12   1.0   0.02   6.39) =   0.000%
          HA    LYS+  65 - HN    ALA  120  14.29 +/- 1.21   0.006% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ALA  120  18.49 +/- 0.90   0.001% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  16.54 +/- 0.47   0.002% *  0.0556% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  20.30 +/- 1.01   0.001% *  0.0652% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  24.55 +/- 0.69   0.000% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  23.22 +/- 0.93   0.000% *  0.0702% (0.52   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  21.98 +/- 1.15   0.000% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  23.67 +/- 0.90   0.000% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  27.54 +/- 1.49   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  24.34 +/- 1.04   0.000% *  0.0191% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 4.18, residual support = 12.2:
          HB2   LEU  123 - HN    ALA  124   4.03 +/- 0.37  99.250% * 96.1896% (0.76   4.18  12.20) =  99.997%  kept
          HB2   LYS+ 121 - HN    ALA  124   9.60 +/- 0.15   0.595% *  0.4373% (0.73   0.02   0.02) =   0.003%
          QD    LYS+  65 - HN    ALA  124  13.39 +/- 1.77   0.118% *  0.4602% (0.76   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    ALA  124  19.95 +/- 2.28   0.010% *  0.5697% (0.95   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA  124  20.74 +/- 1.72   0.007% *  0.5697% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA  124  22.16 +/- 1.34   0.004% *  0.4822% (0.80   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA  124  21.38 +/- 0.98   0.005% *  0.2931% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ALA  124  22.46 +/- 1.97   0.004% *  0.1502% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA  124  22.44 +/- 1.90   0.004% *  0.1192% (0.20   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA  124  24.85 +/- 1.14   0.002% *  0.2260% (0.38   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA  124  30.47 +/- 1.30   0.001% *  0.5030% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.20 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.81, residual support = 9.22:
      O   QB    ALA  124 - HN    ALA  124   2.37 +/- 0.29  99.961% * 98.5507% (0.65  10.0   1.81   9.22) = 100.000%  kept
          HB2   LEU   63 - HN    ALA  124  12.90 +/- 1.60   0.030% *  0.0632% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA  124  14.79 +/- 1.76   0.003% *  0.0954% (0.57   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA  124  16.40 +/- 1.81   0.002% *  0.0954% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  18.27 +/- 0.91   0.001% *  0.1461% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  19.02 +/- 0.86   0.001% *  0.1287% (0.76   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  19.69 +/- 1.38   0.000% *  0.1287% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  20.92 +/- 1.19   0.000% *  0.1511% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  19.39 +/- 0.95   0.001% *  0.0820% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  22.38 +/- 1.95   0.000% *  0.1090% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  22.57 +/- 2.10   0.000% *  0.1157% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  25.43 +/- 0.90   0.000% *  0.1461% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA  124  25.34 +/- 2.78   0.000% *  0.0820% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  22.72 +/- 2.03   0.000% *  0.0295% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  27.13 +/- 2.10   0.000% *  0.0295% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  30.14 +/- 1.17   0.000% *  0.0468% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (3.95, 7.46, 121.46 ppm):
    10 chemical-shift based assignments, quality = 0.985, support = 3.53, residual support = 24.1:
          HA    ALA  120 - HN    LEU  123   2.65 +/- 0.15  91.413% * 66.5824% (0.99   3.60  25.10) =  95.815%  kept
          HA    LYS+ 121 - HN    LEU  123   4.01 +/- 0.12   8.474% * 31.3687% (0.84   2.01   2.19) =   4.185%  kept
          QB    SER  117 - HN    LEU  123   8.27 +/- 0.38   0.103% *  0.1819% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    LEU  123  13.38 +/- 1.39   0.007% *  0.2567% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LEU  123  16.93 +/- 1.15   0.002% *  0.2856% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LEU  123  19.15 +/- 0.59   0.001% *  0.3351% (0.90   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU  123  25.78 +/- 0.94   0.000% *  0.3606% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU  123  25.68 +/- 1.07   0.000% *  0.2856% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LEU  123  26.55 +/- 0.84   0.000% *  0.2856% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU  123  23.96 +/- 0.99   0.000% *  0.0577% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 0.988, support = 4.69, residual support = 30.7:
          HB3   HIS  122 - HN    LEU  123   3.77 +/- 0.41  93.561% * 84.5910% (0.99   4.73  31.06) =  98.788%  kept
          QE    LYS+ 121 - HN    LEU  123   6.59 +/- 0.96   6.436% * 15.0844% (0.76   1.09   2.19) =   1.212%  kept
          HG2   GLN   30 - HN    LEU  123  23.96 +/- 1.56   0.002% *  0.1002% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    LEU  123  29.97 +/- 1.29   0.000% *  0.1755% (0.49   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LEU  123  28.10 +/- 1.68   0.001% *  0.0488% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 5.52, residual support = 200.3:
          HG    LEU  123 - HN    LEU  123   3.67 +/- 0.26  93.600% * 96.6343% (0.76   5.52 200.31) =  99.989%  kept
          QB    LYS+  66 - HN    LEU  123   6.82 +/- 1.56   4.843% *  0.0907% (0.20   0.02   0.02) =   0.005%
          HG3   PRO   68 - HN    LEU  123  10.91 +/- 3.13   0.975% *  0.3977% (0.87   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HN    LEU  123   9.24 +/- 0.92   0.469% *  0.3504% (0.76   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    LEU  123  13.17 +/- 0.67   0.051% *  0.2055% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU  123  17.16 +/- 1.15   0.011% *  0.3830% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU  123  16.85 +/- 1.24   0.012% *  0.2232% (0.49   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU  123  17.71 +/- 1.68   0.011% *  0.1564% (0.34   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU  123  15.70 +/- 1.31   0.020% *  0.0620% (0.14   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU  123  21.96 +/- 1.55   0.003% *  0.2966% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  123  22.56 +/- 1.48   0.002% *  0.3504% (0.76   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU  123  23.15 +/- 1.18   0.002% *  0.3671% (0.80   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU  123  26.17 +/- 1.47   0.001% *  0.2596% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU  123  28.02 +/- 0.81   0.001% *  0.2232% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.25 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 5.85, residual support = 200.3:
      O   HB2   LEU  123 - HN    LEU  123   2.40 +/- 0.48  98.084% * 99.1788% (0.76  10.0   5.85 200.31) =  99.998%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.10 +/- 0.10   1.902% *  0.0942% (0.73   1.0   0.02   2.19) =   0.002%
          QD    LYS+  65 - HN    LEU  123  13.41 +/- 1.43   0.007% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU  123  17.99 +/- 1.52   0.001% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU  123  19.08 +/- 1.92   0.001% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU  123  18.32 +/- 1.36   0.001% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  17.31 +/- 1.00   0.001% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  19.82 +/- 1.62   0.001% *  0.0324% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  20.77 +/- 1.16   0.001% *  0.0487% (0.38   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  19.78 +/- 1.40   0.001% *  0.0257% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  26.82 +/- 1.05   0.000% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.08 A, kept.
 
    Peak 598 (0.85, 7.46, 121.46 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.38, residual support = 200.3:
          QD1   LEU  123 - HN    LEU  123   2.29 +/- 0.23  96.990% * 98.8090% (0.90   6.38 200.31) =  99.998%  kept
          QD2   LEU  123 - HN    LEU  123   4.20 +/- 0.07   2.869% *  0.0533% (0.15   0.02 200.31) =   0.002%
          QG1   VAL   70 - HN    LEU  123   9.43 +/- 1.73   0.050% *  0.2372% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU  123  14.09 +/- 3.34   0.034% *  0.3096% (0.90   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    LEU  123  10.86 +/- 1.17   0.013% *  0.3422% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    LEU  123   9.47 +/- 1.54   0.043% *  0.0533% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    LEU  123  16.48 +/- 0.89   0.001% *  0.1955% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 601 (3.96, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.243, support = 6.55, residual support = 35.3:
      O   HA    LYS+ 121 - HN    HIS  122   3.51 +/- 0.03  51.766% * 65.8035% (0.20  10.0   6.76  50.89) =  68.093%  kept
          HA    ALA  120 - HN    HIS  122   3.56 +/- 0.18  47.601% * 33.5323% (0.33   1.0   6.10   1.93) =  31.907%  kept
          QB    SER  117 - HN    HIS  122   7.41 +/- 0.36   0.599% *  0.0290% (0.09   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    HIS  122  13.19 +/- 1.57   0.022% *  0.1073% (0.33   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    HIS  122  16.66 +/- 1.30   0.005% *  0.1122% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    HIS  122  17.27 +/- 0.58   0.004% *  0.0752% (0.23   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    HIS  122  24.79 +/- 0.84   0.000% *  0.1122% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    HIS  122  24.45 +/- 0.96   0.000% *  0.0888% (0.27   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    HIS  122  22.60 +/- 0.99   0.001% *  0.0396% (0.12   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    HIS  122  24.56 +/- 1.02   0.000% *  0.0566% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  24.87 +/- 1.68   0.000% *  0.0230% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  24.27 +/- 1.05   0.001% *  0.0204% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 0.265, support = 5.06, residual support = 14.4:
          HA    ILE  119 - HN    HIS  122   3.62 +/- 0.26  88.666% * 56.0744% (0.27   5.07  15.52) =  91.049%  kept
          HA    THR  118 - HN    HIS  122   5.20 +/- 0.20  11.298% * 43.2636% (0.21   4.93   2.94) =   8.951%  kept
          HD3   PRO   58 - HN    HIS  122  14.49 +/- 0.90   0.024% *  0.0805% (0.10   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    HIS  122  17.57 +/- 1.14   0.008% *  0.0894% (0.11   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    HIS  122  21.88 +/- 0.69   0.002% *  0.1523% (0.19   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    HIS  122  22.96 +/- 0.77   0.001% *  0.1409% (0.17   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    HIS  122  27.26 +/- 1.71   0.001% *  0.1989% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 5.36, residual support = 68.7:
      O   HB2   HIS  122 - HN    HIS  122   3.37 +/- 0.56  98.235% * 99.5910% (0.11  10.0   5.36  68.74) =  99.999%  kept
          HA    LEU   63 - HN    HIS  122   7.58 +/- 1.40   1.725% *  0.0565% (0.06   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HN    HIS  122  13.05 +/- 0.59   0.039% *  0.1827% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    HIS  122  28.38 +/- 1.02   0.000% *  0.1698% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.325, support = 6.04, residual support = 68.5:
      O   HB3   HIS  122 - HN    HIS  122   2.85 +/- 0.42  93.467% * 82.5299% (0.33  10.0   6.03  68.74) =  98.548%  kept
          QE    LYS+ 121 - HN    HIS  122   5.36 +/- 1.02   6.532% * 17.3966% (0.21   1.0   6.42  50.89) =   1.452%  kept
          HG2   GLN   30 - HN    HIS  122  22.50 +/- 1.38   0.001% *  0.0157% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    HIS  122  28.37 +/- 1.14   0.000% *  0.0578% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.04 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.318, support = 7.28, residual support = 48.8:
          HB2   LYS+ 121 - HN    HIS  122   3.42 +/- 0.18  75.849% * 72.5186% (0.33   7.51  50.89) =  89.646%  kept
          HB2   LEU  123 - HN    HIS  122   4.28 +/- 0.56  24.075% * 26.3866% (0.17   5.31  31.06) =  10.353%  kept
          QD    LYS+  65 - HN    HIS  122  13.43 +/- 1.47   0.025% *  0.1970% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    HIS  122  16.57 +/- 1.52   0.007% *  0.1482% (0.26   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    HIS  122  18.26 +/- 1.82   0.004% *  0.2023% (0.35   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    HIS  122  16.92 +/- 1.37   0.006% *  0.1074% (0.19   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    HIS  122  14.66 +/- 0.69   0.013% *  0.0357% (0.06   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    HIS  122  16.18 +/- 1.05   0.007% *  0.0509% (0.09   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    HIS  122  18.42 +/- 1.18   0.003% *  0.0839% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  16.65 +/- 1.30   0.006% *  0.0315% (0.05   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    HIS  122  24.92 +/- 0.98   0.001% *  0.2023% (0.35   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  19.16 +/- 1.16   0.003% *  0.0357% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.289, support = 6.51, residual support = 50.9:
          HB3   LYS+ 121 - HN    HIS  122   3.98 +/- 0.37  53.113% * 66.9127% (0.35   6.26  50.89) =  71.217%  kept
          HD2   LYS+ 121 - HN    HIS  122   4.36 +/- 1.33  44.727% * 32.1055% (0.15   7.16  50.89) =  28.775%  kept
          QD    LYS+  66 - HN    HIS  122   8.02 +/- 2.22   2.012% *  0.1748% (0.28   0.02   0.02) =   0.007%
          HG    LEU  104 - HN    HIS  122  11.34 +/- 1.53   0.089% *  0.2139% (0.35   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    HIS  122  14.00 +/- 1.08   0.021% *  0.2015% (0.33   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    HIS  122  13.90 +/- 1.65   0.030% *  0.0744% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    HIS  122  18.67 +/- 1.10   0.004% *  0.1957% (0.32   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    HIS  122  20.89 +/- 0.93   0.002% *  0.0607% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    HIS  122  22.42 +/- 2.35   0.002% *  0.0607% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.08 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.307, support = 6.37, residual support = 31.1:
          QD1   LEU  123 - HN    HIS  122   3.25 +/- 0.39  97.471% * 98.5000% (0.31   6.37  31.06) =  99.993%  kept
          QG1   VAL   70 - HN    HIS  122   8.67 +/- 1.72   0.641% *  0.3536% (0.35   0.02   0.02) =   0.002%
          QD1   LEU   71 - HN    HIS  122  13.11 +/- 3.17   0.670% *  0.3095% (0.31   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    HIS  122   8.32 +/- 1.53   0.819% *  0.2308% (0.23   0.02   0.02) =   0.002%
          HB3   LEU  104 - HN    HIS  122   9.27 +/- 1.34   0.371% *  0.1877% (0.19   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    HIS  122  15.48 +/- 0.92   0.012% *  0.3560% (0.35   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    HIS  122  14.52 +/- 0.66   0.016% *  0.0625% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.545, support = 2.93, residual support = 6.0:
          HA    THR  118 - HN    LYS+ 121   3.46 +/- 0.18  71.941% * 30.8520% (0.49   2.18   8.08) =  53.770%  kept
          HA    ILE  119 - HN    LYS+ 121   4.06 +/- 0.13  28.030% * 68.0791% (0.61   3.81   3.58) =  46.230%  kept
          HD3   PRO   58 - HN    LYS+ 121  14.06 +/- 0.87   0.017% *  0.1300% (0.22   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    LYS+ 121  15.81 +/- 1.31   0.010% *  0.1443% (0.25   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    LYS+ 121  22.30 +/- 0.52   0.001% *  0.2460% (0.42   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    LYS+ 121  22.56 +/- 0.67   0.001% *  0.2276% (0.39   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    LYS+ 121  26.51 +/- 1.74   0.000% *  0.3211% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 6.8, residual support = 314.8:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.23 +/- 0.37  99.087% * 99.3852% (0.76  10.0   6.80 314.85) = 100.000%  kept
          HB2   LEU  123 - HN    LYS+ 121   5.10 +/- 0.71   0.900% *  0.0511% (0.39   1.0   0.02   2.19) =   0.000%
          QD    LYS+  65 - HN    LYS+ 121  14.86 +/- 1.37   0.002% *  0.1014% (0.77   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+ 121  16.74 +/- 1.32   0.001% *  0.0763% (0.58   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  13.93 +/- 1.09   0.003% *  0.0262% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  15.80 +/- 1.52   0.001% *  0.0553% (0.42   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LYS+ 121  19.77 +/- 1.63   0.000% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  14.52 +/- 0.69   0.002% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  14.36 +/- 1.33   0.003% *  0.0162% (0.12   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  19.05 +/- 1.17   0.000% *  0.0432% (0.33   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  17.96 +/- 1.24   0.001% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  24.94 +/- 0.88   0.000% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.47, support = 5.0, residual support = 186.8:
          HD2   LYS+ 121 - HN    LYS+ 121   3.59 +/- 0.44  22.378% * 82.1801% (0.64   6.04 314.85) =  59.039%  kept
          QB    ALA  120 - HN    LYS+ 121   2.81 +/- 0.11  77.453% * 16.4730% (0.22   3.49   2.26) =  40.960%  kept
          QD    LYS+  66 - HN    LYS+ 121   9.72 +/- 2.07   0.083% *  0.1397% (0.33   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+ 121   9.17 +/- 0.81   0.076% *  0.0945% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 121  15.44 +/- 1.58   0.003% *  0.2947% (0.70   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LYS+ 121  14.16 +/- 1.34   0.005% *  0.1654% (0.39   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+ 121  20.30 +/- 0.68   0.001% *  0.3390% (0.80   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 121  21.89 +/- 0.68   0.000% *  0.3136% (0.74   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 5.9, residual support = 314.8:
          HG2   LYS+ 121 - HN    LYS+ 121   3.90 +/- 0.44  92.793% * 99.0756% (0.77   5.90 314.85) =  99.990%  kept
          QG2   VAL  107 - HN    LYS+ 121   8.25 +/- 0.79   1.357% *  0.3447% (0.79   0.02   0.02) =   0.005%
          HG13  ILE  119 - HN    LYS+ 121   6.33 +/- 0.24   5.790% *  0.0688% (0.16   0.02   3.58) =   0.004%
          HG13  ILE  103 - HN    LYS+ 121  14.16 +/- 1.08   0.051% *  0.2250% (0.52   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LYS+ 121  20.92 +/- 0.56   0.005% *  0.2250% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LYS+ 121  22.49 +/- 1.40   0.003% *  0.0609% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.20 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.714, support = 2.19, residual support = 2.18:
          QD1   LEU  123 - HN    LYS+ 121   4.41 +/- 0.09  87.284% * 90.0557% (0.72   2.20   2.19) =  99.236%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.53 +/- 0.12   8.404% *  6.9410% (0.12   0.99   2.19) =   0.736%  kept
          HB3   LEU  104 - HN    LYS+ 121   9.58 +/- 1.11   1.058% *  0.9033% (0.79   0.02   0.02) =   0.012%
          QG1   VAL   70 - HN    LYS+ 121  10.41 +/- 1.75   0.839% *  0.6260% (0.55   0.02   0.02) =   0.007%
          QD1   LEU   71 - HN    LYS+ 121  14.55 +/- 2.99   0.502% *  0.8174% (0.72   0.02   0.02) =   0.005%
          HB3   LEU   63 - HN    LYS+ 121   9.43 +/- 1.78   1.879% *  0.1406% (0.12   0.02   0.02) =   0.003%
          QG1   VAL   18 - HN    LYS+ 121  16.37 +/- 0.99   0.036% *  0.5160% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.29 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.03, residual support = 55.4:
          HB    ILE  119 - HN    ALA  120   2.63 +/- 0.16  99.955% * 97.4768% (0.90   5.03  55.40) = 100.000%  kept
          HB2   LYS+ 111 - HN    ALA  120  11.14 +/- 1.12   0.021% *  0.1220% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ALA  120  14.68 +/- 2.84   0.011% *  0.2397% (0.56   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA  120  14.26 +/- 0.84   0.004% *  0.3300% (0.77   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA  120  13.77 +/- 1.43   0.006% *  0.1771% (0.41   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA  120  18.88 +/- 1.15   0.001% *  0.3020% (0.71   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ALA  120  21.67 +/- 1.54   0.000% *  0.3943% (0.92   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ALA  120  18.31 +/- 1.24   0.001% *  0.0985% (0.23   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ALA  120  23.36 +/- 1.15   0.000% *  0.3873% (0.90   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ALA  120  25.22 +/- 1.28   0.000% *  0.3738% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ALA  120  20.17 +/- 0.95   0.001% *  0.0985% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (1.49, 7.43, 118.69 ppm):
    9 chemical-shift based assignments, quality = 0.486, support = 4.07, residual support = 14.4:
      O   QB    ALA  120 - HN    ALA  120   2.13 +/- 0.03  99.473% * 99.1734% (0.49  10.0   4.07  14.41) =  99.999%  kept
          HD2   LYS+ 121 - HN    ALA  120   5.60 +/- 0.67   0.391% *  0.0992% (0.49   1.0   0.02   2.26) =   0.000%
          HG    LEU  115 - HN    ALA  120   7.18 +/- 0.77   0.089% *  0.0992% (0.49   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120   8.95 +/- 1.94   0.037% *  0.0373% (0.18   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  11.77 +/- 2.28   0.007% *  0.0291% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  14.34 +/- 1.42   0.001% *  0.1143% (0.56   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA  120  15.55 +/- 1.56   0.001% *  0.1441% (0.71   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  19.84 +/- 0.79   0.000% *  0.1740% (0.85   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  22.18 +/- 0.81   0.000% *  0.1295% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 2.79 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 = 5.63, residual support = 55.4:
          QG2   ILE  119 - HN    ALA  120   3.50 +/- 0.18  98.968% * 96.6193% (0.49   5.63  55.40) =  99.994%  kept
          QD1   LEU   67 - HN    ALA  120   9.16 +/- 2.26   0.803% *  0.5220% (0.74   0.02   0.02) =   0.004%
          QD2   LEU   40 - HN    ALA  120  11.96 +/- 1.60   0.096% *  0.4982% (0.71   0.02   0.02) =   0.001%
          QG2   ILE  103 - HN    ALA  120  12.23 +/- 0.89   0.062% *  0.5846% (0.83   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ALA  120  15.63 +/- 2.75   0.042% *  0.5445% (0.77   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    ALA  120  14.51 +/- 1.10   0.023% *  0.4734% (0.67   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ALA  120  19.69 +/- 1.18   0.004% *  0.6291% (0.89   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ALA  120  20.30 +/- 1.23   0.003% *  0.1290% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 616 (3.96, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.249, support = 2.79, residual support = 15.2:
      O   QB    SER  117 - HN    SER  117   2.15 +/- 0.09  99.869% * 97.2780% (0.25  10.0   2.79  15.20) = 100.000%  kept
          HA    ALA  120 - HN    SER  117   7.08 +/- 0.28   0.083% *  0.3690% (0.95   1.0   0.02   6.39) =   0.000%
          HA    LYS+ 121 - HN    SER  117   7.92 +/- 0.58   0.046% *  0.2209% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER  117  15.27 +/- 0.67   0.001% *  0.2524% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER  117  17.44 +/- 1.03   0.000% *  0.3601% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER  117  18.15 +/- 1.03   0.000% *  0.1331% (0.34   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER  117  21.79 +/- 0.93   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  19.91 +/- 1.13   0.000% *  0.1899% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER  117  22.06 +/- 1.09   0.000% *  0.2981% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER  117  23.16 +/- 0.96   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  21.72 +/- 1.14   0.000% *  0.0683% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  29.31 +/- 1.04   0.000% *  0.0772% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 0.363, support = 5.11, residual support = 27.7:
          HG3   GLN  116 - HN    SER  117   4.86 +/- 0.53  36.270% * 69.1891% (0.49   4.99  27.73) =  57.136%  kept
          HG2   GLN  116 - HN    SER  117   4.40 +/- 1.09  63.200% * 29.7876% (0.20   5.28  27.73) =  42.862%  kept
          HB3   PHE   95 - HN    SER  117  10.61 +/- 0.93   0.513% *  0.1421% (0.25   0.02   0.02) =   0.002%
          HB3   TRP   87 - HN    SER  117  18.52 +/- 0.82   0.017% *  0.3226% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    SER  117  32.37 +/- 1.05   0.001% *  0.5586% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.34 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.87, residual support = 27.7:
          HB2   GLN  116 - HN    SER  117   3.14 +/- 0.28  99.925% * 98.7687% (0.97   4.87  27.73) = 100.000%  kept
          HB2   PRO   58 - HN    SER  117  12.38 +/- 1.71   0.045% *  0.3050% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    SER  117  12.77 +/- 0.86   0.029% *  0.4200% (1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    SER  117  23.05 +/- 1.08   0.001% *  0.3767% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    SER  117  25.80 +/- 0.95   0.000% *  0.1296% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.09 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 7.1, residual support = 115.2:
          HG2   GLN  116 - HN    GLN  116   3.37 +/- 0.34  99.804% * 99.4109% (0.73   7.10 115.17) =  99.999%  kept
          HB3   PHE   95 - HN    GLN  116  10.38 +/- 1.13   0.196% *  0.3090% (0.80   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HN    GLN  116  31.94 +/- 1.17   0.000% *  0.2802% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.05 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.63, residual support = 115.2:
      O   HB2   GLN  116 - HN    GLN  116   2.10 +/- 0.06  99.983% * 99.6757% (0.98  10.0   7.63 115.17) = 100.000%  kept
          HB2   PRO   58 - HN    GLN  116  10.32 +/- 1.88   0.016% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLN  116  13.71 +/- 1.15   0.001% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  24.37 +/- 1.30   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  24.81 +/- 0.99   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  28.11 +/- 1.28   0.000% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 0.796, support = 7.41, residual support = 96.1:
          HB2   LEU  115 - HN    GLN  116   3.36 +/- 0.29  87.025% * 68.4821% (0.80   7.58 100.69) =  95.477%  kept
          QB    GLU- 114 - HN    GLN  116   5.01 +/- 0.27   9.211% * 30.6295% (0.69   3.95   0.29) =   4.520%  kept
          HB2   LYS+ 111 - HN    GLN  116   6.30 +/- 1.06   3.589% *  0.0348% (0.15   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    GLN  116  10.53 +/- 1.34   0.145% *  0.1886% (0.84   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLN  116  17.79 +/- 3.03   0.008% *  0.1886% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    GLN  116  15.10 +/- 1.46   0.014% *  0.0928% (0.41   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLN  116  21.96 +/- 0.98   0.001% *  0.1725% (0.76   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLN  116  18.73 +/- 1.38   0.003% *  0.0447% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  21.10 +/- 1.24   0.002% *  0.0447% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  21.49 +/- 1.19   0.001% *  0.0447% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN  116  31.08 +/- 0.99   0.000% *  0.0770% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.09 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.786, support = 8.34, residual support = 99.9:
          HG    LEU  115 - HN    GLN  116   2.96 +/- 1.00  76.843% * 40.3429% (0.73   8.50 100.69) =  75.521%  kept
          HB3   LEU  115 - HN    GLN  116   4.11 +/- 0.17  18.881% * 51.5457% (0.98   8.05 100.69) =  23.709%  kept
          QB    ALA  120 - HN    GLN  116   5.74 +/- 0.52   4.187% *  7.5472% (0.73   1.59   0.38) =   0.770%  kept
          QG    LYS+  66 - HN    GLN  116  11.08 +/- 1.30   0.062% *  0.0490% (0.38   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    GLN  116  15.52 +/- 2.10   0.009% *  0.1307% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    GLN  116  17.66 +/- 1.43   0.004% *  0.1281% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN  116  15.73 +/- 1.62   0.008% *  0.0291% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    GLN  116  19.19 +/- 1.44   0.003% *  0.0636% (0.49   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN  116  20.36 +/- 1.02   0.002% *  0.0740% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  23.06 +/- 1.61   0.001% *  0.0898% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.02 A, kept.
 
    Peak 624 (0.45, 8.17, 116.99 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 7.61, residual support = 100.7:
          QD1   LEU  115 - HN    GLN  116   3.55 +/- 0.83  99.984% * 99.6305% (0.49   7.61 100.69) = 100.000%  kept
          QG1   VAL   75 - HN    GLN  116  17.03 +/- 0.70   0.016% *  0.3695% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.566, support = 10.0, residual support = 100.7:
          QD2   LEU  115 - HN    GLN  116   2.49 +/- 0.55  99.652% * 98.5889% (0.57  10.00 100.69) =  99.999%  kept
          QD1   LEU   63 - HN    GLN  116   7.53 +/- 0.76   0.229% *  0.3124% (0.90   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    GLN  116   8.50 +/- 0.90   0.106% *  0.2910% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN  116  14.02 +/- 1.03   0.006% *  0.1075% (0.31   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    GLN  116  17.98 +/- 0.99   0.002% *  0.3124% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    GLN  116  16.02 +/- 1.23   0.003% *  0.0538% (0.15   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    GLN  116  17.39 +/- 1.15   0.002% *  0.0969% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    GLN  116  19.91 +/- 0.81   0.001% *  0.1833% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  20.89 +/- 1.03   0.001% *  0.0538% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 0.719, support = 1.46, residual support = 14.2:
          QD1   ILE  119 - HN    GLN  116   4.78 +/- 0.53  79.638% * 89.3600% (0.73   1.48  14.44) =  98.031%  kept
          HG3   LYS+ 112 - HN    GLN  116   6.41 +/- 0.97  19.080% *  7.3806% (0.38   0.24   0.02) =   1.940%  kept
          QG2   VAL  108 - HN    GLN  116   9.94 +/- 0.64   1.166% *  1.6587% (1.00   0.02   0.02) =   0.027%
          HB2   LEU  104 - HN    GLN  116  14.69 +/- 1.06   0.116% *  1.6007% (0.97   0.02   0.02) =   0.003%
    Distance limit 4.71 A violated in 1 structures by 0.15 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 0.75, residual support = 2.24:
          HA    LYS+ 112 - HN    LEU  115   3.51 +/- 0.47  99.931% * 94.6610% (0.90   0.75   2.24) =  99.998%  kept
          HB2   HIS  122 - HN    LEU  115  13.29 +/- 1.11   0.049% *  2.8147% (1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HN    LEU  115  15.08 +/- 1.27   0.019% *  2.5243% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 628 (2.34, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.223, support = 5.22, residual support = 100.7:
          HB2   GLN  116 - HN    LEU  115   4.62 +/- 0.14  98.582% * 95.8057% (0.22   5.22 100.69) =  99.983%  kept
          HB2   PRO   58 - HN    LEU  115  11.28 +/- 1.98   1.005% *  1.3193% (0.80   0.02   0.02) =   0.014%
          HG2   PRO   52 - HN    LEU  115  13.13 +/- 1.16   0.220% *  0.7387% (0.45   0.02   0.02) =   0.002%
          HB3   PHE   97 - HN    LEU  115  13.50 +/- 1.11   0.181% *  0.5620% (0.34   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HN    LEU  115  24.34 +/- 1.16   0.005% *  0.2542% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    LEU  115  24.39 +/- 0.92   0.005% *  0.2542% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    LEU  115  31.55 +/- 1.01   0.001% *  1.0659% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.45 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.798, support = 7.31, residual support = 222.7:
      O   HB2   LEU  115 - HN    LEU  115   2.06 +/- 0.11  84.355% * 82.4471% (0.80  10.0   7.38 227.91) =  97.541%  kept
          QB    GLU- 114 - HN    LEU  115   3.02 +/- 0.34  10.218% * 17.1477% (0.69   1.0   4.85  15.17) =   2.458%  kept
          HB2   LYS+ 111 - HN    LEU  115   3.98 +/- 1.15   5.420% *  0.0159% (0.15   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    LEU  115  11.08 +/- 1.58   0.006% *  0.0860% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LEU  115  19.21 +/- 2.89   0.000% *  0.0860% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  16.02 +/- 1.70   0.001% *  0.0423% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  21.71 +/- 0.89   0.000% *  0.0787% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  18.69 +/- 1.40   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  21.76 +/- 1.26   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  21.86 +/- 1.22   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  29.83 +/- 1.03   0.000% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 0.942, support = 7.45, residual support = 227.9:
      O   HB3   LEU  115 - HN    LEU  115   3.25 +/- 0.22  61.097% * 77.8474% (0.98  10.0   7.44 227.91) =  85.038%  kept
          HG    LEU  115 - HN    LEU  115   3.66 +/- 0.62  38.470% * 21.7520% (0.73   1.0   7.54 227.91) =  14.961%  kept
          QB    ALA  120 - HN    LEU  115   7.60 +/- 0.38   0.398% *  0.0577% (0.73   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU  115  12.66 +/- 1.47   0.020% *  0.0298% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU  115  16.52 +/- 2.37   0.005% *  0.0794% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU  115  17.86 +/- 1.28   0.002% *  0.0778% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  16.66 +/- 1.80   0.004% *  0.0177% (0.22   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU  115  19.81 +/- 1.09   0.001% *  0.0450% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  19.53 +/- 1.28   0.001% *  0.0387% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  22.52 +/- 1.61   0.001% *  0.0546% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 631 (1.14, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.527, support = 1.44, residual support = 7.81:
          QG2   VAL  107 - HN    LEU  115   4.11 +/- 1.21  78.220% * 56.5979% (0.53   1.50   7.92) =  93.569%  kept
          HG13  ILE  119 - HN    LEU  115   7.12 +/- 1.25   6.201% * 33.3077% (0.73   0.64   8.16) =   4.365%  kept
          HD3   LYS+ 112 - HN    LEU  115   6.34 +/- 1.14  15.331% *  6.3596% (0.15   0.57   2.24) =   2.061%  kept
          HG2   LYS+ 121 - HN    LEU  115  11.60 +/- 1.07   0.217% *  1.0964% (0.76   0.02   0.02) =   0.005%
          QB    ALA   20 - HN    LEU  115  20.24 +/- 0.68   0.005% *  1.4315% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LEU  115  15.67 +/- 1.04   0.024% *  0.2214% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LEU  115  24.82 +/- 1.32   0.001% *  0.9855% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 1 structures by 0.27 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 9.04, residual support = 227.9:
          QD2   LEU  115 - HN    LEU  115   3.64 +/- 0.59  98.207% * 98.8217% (0.65   9.04 227.91) =  99.998%  kept
          QD1   LEU   63 - HN    LEU  115   7.74 +/- 1.07   1.651% *  0.1043% (0.31   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU  115  14.11 +/- 1.04   0.042% *  0.3030% (0.90   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU  115  12.69 +/- 0.80   0.075% *  0.1152% (0.34   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU  115  18.70 +/- 0.75   0.007% *  0.2320% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU  115  20.09 +/- 0.66   0.005% *  0.3196% (0.95   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU  115  17.40 +/- 0.91   0.012% *  0.1043% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 7.38, residual support = 227.9:
          QD1   LEU  115 - HN    LEU  115   3.68 +/- 0.58  99.976% * 99.6808% (0.80   7.38 227.91) = 100.000%  kept
          QG1   VAL   75 - HN    LEU  115  15.71 +/- 0.69   0.024% *  0.3192% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 0.539, support = 6.74, residual support = 138.3:
      O   HB    ILE  103 - HN    ILE  103   2.08 +/- 0.05  91.594% * 65.0059% (0.53  10.0   6.73 138.30) =  95.422%  kept
          HG12  ILE  103 - HN    ILE  103   3.18 +/- 0.26   8.334% * 34.2751% (0.80   1.0   6.93 138.30) =   4.578%  kept
          HB    VAL   41 - HN    ILE  103   8.97 +/- 1.27   0.021% *  0.0799% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE  103   7.74 +/- 0.47   0.037% *  0.0245% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE  103   9.24 +/- 0.23   0.012% *  0.0554% (0.45   1.0   0.02   2.57) =   0.000%
          QB    LYS+  33 - HN    ILE  103  15.87 +/- 0.88   0.001% *  0.0421% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  17.77 +/- 1.35   0.000% *  0.0554% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  19.90 +/- 2.22   0.000% *  0.0700% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ILE  103  20.61 +/- 1.20   0.000% *  0.1211% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  20.05 +/- 1.31   0.000% *  0.0344% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  24.57 +/- 0.85   0.000% *  0.1211% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  19.38 +/- 0.86   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  20.78 +/- 1.03   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  28.34 +/- 1.12   0.000% *  0.0601% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 635 (1.15, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.22, residual support = 138.3:
          HG13  ILE  103 - HN    ILE  103   4.14 +/- 0.12  99.483% * 98.5428% (0.65   6.22 138.30) =  99.999%  kept
          QG2   VAL  107 - HN    ILE  103  12.91 +/- 0.65   0.119% *  0.4853% (0.99   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    ILE  103  13.73 +/- 1.28   0.093% *  0.4725% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  103  11.61 +/- 1.22   0.275% *  0.0857% (0.18   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  103  19.60 +/- 0.67   0.009% *  0.3167% (0.65   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ILE  103  17.59 +/- 1.93   0.020% *  0.0969% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.30 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.785, support = 6.05, residual support = 138.3:
          QG2   ILE  103 - HN    ILE  103   3.48 +/- 0.13  38.464% * 70.5851% (1.00   6.30 138.30) =  60.947%  kept
          QD1   ILE  103 - HN    ILE  103   3.17 +/- 0.66  61.085% * 28.4778% (0.45   5.67 138.30) =  39.051%  kept
          QD2   LEU   40 - HN    ILE  103   7.40 +/- 0.50   0.417% *  0.2163% (0.97   0.02   0.02) =   0.002%
          QD1   LEU   67 - HN    ILE  103  13.28 +/- 2.12   0.019% *  0.2197% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ILE  103  14.23 +/- 0.97   0.007% *  0.1269% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    ILE  103  15.70 +/- 1.45   0.005% *  0.0623% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ILE  103  16.80 +/- 1.01   0.003% *  0.0921% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ILE  103  21.21 +/- 0.72   0.001% *  0.2197% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 7.45, residual support = 217.2:
          HG    LEU  104 - HN    LEU  104   2.97 +/- 0.42  97.960% * 97.6249% (0.45   7.45 217.23) =  99.992%  kept
          HG2   LYS+ 106 - HN    LEU  104   6.13 +/- 0.39   1.888% *  0.4015% (0.69   0.02   0.02) =   0.008%
          HB3   LYS+ 121 - HN    LEU  104   9.46 +/- 1.14   0.139% *  0.2621% (0.45   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LEU  104  15.83 +/- 2.23   0.007% *  0.3309% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LEU  104  17.35 +/- 1.27   0.003% *  0.5794% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LEU  104  18.49 +/- 0.79   0.002% *  0.3545% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LEU  104  21.07 +/- 0.71   0.001% *  0.4467% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.274, support = 7.05, residual support = 138.4:
      O   HB2   LEU  104 - HN    LEU  104   2.69 +/- 0.19  39.039% * 65.8345% (0.22  10.0   7.39 217.23) =  56.220%  kept
          QG2   ILE  103 - HN    LEU  104   2.46 +/- 0.38  59.958% * 33.3783% (0.34   1.0   6.62  37.09) =  43.777%  kept
          QD2   LEU   40 - HN    LEU  104   5.36 +/- 0.67   0.948% *  0.1439% (0.49   1.0   0.02   0.02) =   0.003%
          QD1   LEU   67 - HN    LEU  104  10.15 +/- 2.70   0.047% *  0.1326% (0.45   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    LEU  104  12.01 +/- 1.65   0.007% *  0.1439% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU  104  15.65 +/- 0.88   0.001% *  0.2931% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU  104  18.96 +/- 0.82   0.000% *  0.0737% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 639 (0.72, 9.38, 128.74 ppm):
    5 chemical-shift based assignments, quality = 0.773, support = 7.14, residual support = 166.3:
          QD2   LEU  104 - HN    LEU  104   3.45 +/- 0.85  63.060% * 64.2446% (0.80   7.82 217.23) =  75.557%  kept
          QD1   LEU   98 - HN    LEU  104   3.89 +/- 0.57  36.905% * 35.5137% (0.69   5.04   8.93) =  24.443%  kept
          QD1   ILE   19 - HN    LEU  104  15.88 +/- 1.17   0.009% *  0.1327% (0.65   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LEU  104  14.56 +/- 0.92   0.018% *  0.0457% (0.22   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU  104  16.35 +/- 0.72   0.008% *  0.0633% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 640 (3.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 7.68, residual support = 59.7:
          HB2   PHE   97 - HN    ASP- 105   2.03 +/- 0.19  99.428% * 98.8508% (0.69   7.68  59.70) =  99.999%  kept
          QE    LYS+ 106 - HN    ASP- 105   6.01 +/- 1.20   0.513% *  0.0935% (0.25   0.02  19.38) =   0.000%
          QE    LYS+  99 - HN    ASP- 105   8.23 +/- 0.87   0.034% *  0.3362% (0.90   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ASP- 105   9.05 +/- 1.00   0.022% *  0.1541% (0.41   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ASP- 105  15.86 +/- 1.43   0.001% *  0.2425% (0.65   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ASP- 105  16.53 +/- 0.77   0.000% *  0.2722% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ASP- 105  14.30 +/- 1.43   0.001% *  0.0507% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 5.51, residual support = 59.7:
          HB3   PHE   97 - HN    ASP- 105   3.02 +/- 0.43  99.942% * 98.6922% (0.90   5.51  59.70) = 100.000%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.78 +/- 0.79   0.042% *  0.3996% (1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    ASP- 105  14.74 +/- 0.81   0.010% *  0.3917% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ASP- 105  18.91 +/- 1.54   0.002% *  0.1792% (0.45   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    ASP- 105  18.33 +/- 0.70   0.003% *  0.1111% (0.28   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    ASP- 105  21.54 +/- 0.87   0.001% *  0.2262% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 642 (2.24, 7.80, 116.22 ppm):
    11 chemical-shift based assignments, quality = 0.801, support = 4.63, residual support = 41.3:
      O   HB2   ASP- 105 - HN    ASP- 105   3.62 +/- 0.17  99.527% * 99.3924% (0.80  10.0   4.63  41.30) = 100.000%  kept
          HG12  ILE  119 - HN    ASP- 105  10.33 +/- 1.69   0.281% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP- 105  12.66 +/- 0.80   0.060% *  0.0604% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ASP- 105  12.69 +/- 0.56   0.059% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP- 105  13.93 +/- 0.70   0.034% *  0.0345% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP- 105  19.13 +/- 1.05   0.005% *  0.1241% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP- 105  16.64 +/- 1.77   0.015% *  0.0423% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP- 105  21.58 +/- 0.68   0.002% *  0.1217% (0.98   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  16.78 +/- 1.36   0.012% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    ASP- 105  22.07 +/- 0.52   0.002% *  0.0703% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP- 105  21.02 +/- 1.50   0.003% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 0.766, support = 4.5, residual support = 41.1:
      O   HB3   ASP- 105 - HN    ASP- 105   2.63 +/- 0.15  96.603% * 76.9589% (0.76  10.0   4.50  41.30) =  99.268%  kept
          QB    LYS+ 106 - HN    ASP- 105   4.97 +/- 0.23   2.458% * 22.2825% (0.98   1.0   4.51  19.38) =   0.731%  kept
          HB    ILE  103 - HN    ASP- 105   5.96 +/- 0.41   0.923% *  0.0692% (0.69   1.0   0.02   2.57) =   0.001%
          HG3   PRO   68 - HN    ASP- 105  15.45 +/- 2.26   0.005% *  0.0651% (0.65   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASP- 105  16.03 +/- 0.91   0.002% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP- 105  15.65 +/- 0.77   0.002% *  0.0731% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP- 105  17.01 +/- 0.43   0.001% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP- 105  16.44 +/- 0.90   0.002% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP- 105  19.14 +/- 1.13   0.001% *  0.0930% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  17.70 +/- 0.92   0.001% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP- 105  21.15 +/- 0.59   0.000% *  0.0972% (0.97   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  23.66 +/- 1.01   0.000% *  0.0731% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  19.51 +/- 0.66   0.001% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 644 (1.55, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.493, support = 5.86, residual support = 34.3:
          HG    LEU  104 - HN    ASP- 105   4.24 +/- 0.38  77.615% * 50.4693% (0.45   6.30  37.76) =  81.226%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.49 +/- 0.40  18.723% * 48.3246% (0.69   3.94  19.38) =  18.761%  kept
          HB3   LYS+ 121 - HN    ASP- 105   7.54 +/- 1.06   3.540% *  0.1601% (0.45   0.02   0.02) =   0.012%
          HB3   LYS+ 111 - HN    ASP- 105  13.95 +/- 2.24   0.087% *  0.2022% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    ASP- 105  18.35 +/- 1.31   0.014% *  0.3540% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ASP- 105  17.65 +/- 0.92   0.016% *  0.2167% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    ASP- 105  21.12 +/- 0.61   0.006% *  0.2730% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 645 (1.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.238, support = 5.73, residual support = 33.1:
          HB2   LEU  104 - HN    ASP- 105   2.44 +/- 0.34  77.009% * 64.0925% (0.22   6.27  37.76) =  86.892%  kept
          QG2   ILE  103 - HN    ASP- 105   3.22 +/- 0.39  22.241% * 33.4637% (0.34   2.14   2.57) =  13.102%  kept
          QD2   LEU   40 - HN    ASP- 105   5.79 +/- 0.66   0.625% *  0.4468% (0.49   0.02   0.02) =   0.005%
          QD1   LEU   67 - HN    ASP- 105   9.26 +/- 2.81   0.099% *  0.4115% (0.45   0.02   0.02) =   0.001%
          QD1   ILE  119 - HN    ASP- 105  10.31 +/- 1.64   0.024% *  0.4468% (0.49   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ASP- 105  15.51 +/- 0.84   0.001% *  0.9098% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ASP- 105  18.29 +/- 0.85   0.000% *  0.2289% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 3.76, residual support = 19.4:
          HB2   ASP- 105 - HN    LYS+ 106   2.66 +/- 0.18  99.767% * 97.7859% (0.98   3.76  19.38) = 100.000%  kept
          HG12  ILE  119 - HN    LYS+ 106   8.75 +/- 1.28   0.114% *  0.2182% (0.41   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    LYS+ 106   8.41 +/- 0.38   0.109% *  0.1638% (0.31   0.02   2.15) =   0.000%
          HG3   MET   92 - HN    LYS+ 106  15.85 +/- 1.31   0.003% *  0.4761% (0.90   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    LYS+ 106  16.98 +/- 0.78   0.002% *  0.4057% (0.76   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LYS+ 106  14.75 +/- 2.19   0.005% *  0.0819% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LYS+ 106  21.45 +/- 0.47   0.000% *  0.4434% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    LYS+ 106  23.90 +/- 0.55   0.000% *  0.4250% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.969, support = 5.34, residual support = 130.1:
      O   QB    LYS+ 106 - HN    LYS+ 106   3.29 +/- 0.16  73.433% * 86.6352% (0.98  10.0   5.42 135.84) =  95.036%  kept
          HB3   ASP- 105 - HN    LYS+ 106   3.94 +/- 0.17  26.164% * 12.6989% (0.76   1.0   3.76  19.38) =   4.963%  kept
          HB    ILE  103 - HN    LYS+ 106   8.05 +/- 0.33   0.350% *  0.0607% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+ 106  13.14 +/- 0.86   0.020% *  0.0767% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+ 106  16.64 +/- 1.56   0.005% *  0.0816% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  14.44 +/- 1.15   0.011% *  0.0332% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  17.71 +/- 2.38   0.006% *  0.0572% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+ 106  20.19 +/- 0.60   0.001% *  0.0853% (0.97   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+ 106  19.95 +/- 0.33   0.002% *  0.0767% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  18.85 +/- 0.64   0.002% *  0.0465% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  19.95 +/- 0.74   0.002% *  0.0642% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  21.07 +/- 0.82   0.001% *  0.0642% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  17.83 +/- 0.85   0.003% *  0.0197% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 2.66, residual support = 2.94:
          QG2   THR  118 - HN    LYS+ 106   4.07 +/- 1.36 100.000% *100.0000% (0.53   2.66   2.94) = 100.000%  kept
    Distance limit 4.54 A violated in 1 structures by 0.28 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 45.5:
          HB2   PHE   95 - HN    VAL  107   2.67 +/- 0.49 100.000% *100.0000% (1.00   2.31  45.47) = 100.000%  kept
    Distance limit 4.27 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 = 58.2:
      O   HB    VAL  107 - HN    VAL  107   2.38 +/- 0.24  99.966% * 99.7350% (0.99  10.0   3.33  58.23) = 100.000%  kept
          HB3   PHE   45 - HN    VAL  107  10.22 +/- 0.50   0.024% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    VAL  107  12.11 +/- 1.41   0.009% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    VAL  107  18.57 +/- 0.76   0.001% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    VAL  107  20.64 +/- 0.79   0.000% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  23.36 +/- 0.91   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (1.88, 9.57, 125.50 ppm):
    13 chemical-shift based assignments, quality = 0.526, support = 5.17, residual support = 26.9:
          QB    LYS+ 106 - HN    VAL  107   3.25 +/- 0.08  97.588% * 95.3668% (0.53   5.17  26.88) =  99.994%  kept
          HB3   ASP- 105 - HN    VAL  107   6.27 +/- 0.28   2.015% *  0.1750% (0.25   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    VAL  107   9.97 +/- 1.35   0.157% *  0.6479% (0.92   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    VAL  107  11.18 +/- 0.96   0.069% *  0.6294% (0.90   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL  107  10.12 +/- 0.52   0.115% *  0.1389% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    VAL  107  13.90 +/- 1.28   0.020% *  0.2885% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    VAL  107  15.17 +/- 0.92   0.011% *  0.5096% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    VAL  107  17.16 +/- 0.49   0.005% *  0.6880% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    VAL  107  17.47 +/- 0.48   0.004% *  0.3416% (0.49   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    VAL  107  20.94 +/- 0.62   0.001% *  0.6956% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL  107  17.41 +/- 2.29   0.008% *  0.1229% (0.18   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL  107  17.40 +/- 0.85   0.004% *  0.1563% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    VAL  107  19.09 +/- 0.45   0.002% *  0.2394% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 3.84, residual support = 58.2:
          QG1   VAL  107 - HN    VAL  107   3.17 +/- 0.37  99.424% * 90.6149% (0.20   3.84  58.23) =  99.988%  kept
          HG13  ILE  119 - HN    VAL  107   8.65 +/- 1.47   0.417% *  2.3621% (0.99   0.02   0.02) =   0.011%
          HG2   LYS+ 121 - HN    VAL  107  10.86 +/- 1.02   0.113% *  0.5942% (0.25   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    VAL  107  13.74 +/- 1.33   0.019% *  1.4455% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  107  15.23 +/- 1.86   0.015% *  1.1600% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  107  17.00 +/- 0.75   0.005% *  2.3779% (1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  107  16.30 +/- 0.42   0.007% *  1.4455% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 655 (2.05, 9.14, 128.89 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 4.08, residual support = 62.1:
      O   HB    VAL  108 - HN    VAL  108   2.99 +/- 0.47  98.620% * 99.4150% (0.95  10.0   4.08  62.13) =  99.999%  kept
          HB2   PRO   93 - HN    VAL  108   7.58 +/- 1.38   1.272% *  0.0994% (0.95   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    VAL  108  11.48 +/- 1.07   0.047% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  12.19 +/- 1.17   0.034% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    VAL  108  16.24 +/- 0.86   0.005% *  0.1030% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    VAL  108  14.17 +/- 1.43   0.017% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  20.83 +/- 0.48   0.001% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  21.87 +/- 0.53   0.001% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  22.95 +/- 0.67   0.001% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  21.59 +/- 1.63   0.001% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  27.45 +/- 1.30   0.000% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  36.80 +/- 1.52   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 656 (1.13, 9.14, 128.89 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 3.64, residual support = 15.3:
          QG2   VAL  107 - HN    VAL  108   3.43 +/- 0.34  99.524% * 92.9875% (0.28   3.64  15.34) =  99.993%  kept
          HG13  ILE  119 - HN    VAL  108  10.59 +/- 1.12   0.270% *  1.7394% (0.95   0.02   0.02) =   0.005%
          HG2   LYS+ 121 - HN    VAL  108  12.65 +/- 1.47   0.100% *  0.8950% (0.49   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    VAL  108  12.26 +/- 1.29   0.088% *  0.6272% (0.34   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    VAL  108  18.72 +/- 0.50   0.005% *  1.5950% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  108  16.88 +/- 1.68   0.011% *  0.4585% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  108  20.39 +/- 0.74   0.003% *  1.6974% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 1 structures by 0.09 A, kept.
 
    Peak 658 (1.07, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.1, residual support = 15.3:
          QG1   VAL  107 - HN    VAL  108   3.87 +/- 0.23  99.685% * 95.2124% (0.25   4.10  15.34) =  99.995%  kept
          HG    LEU   63 - HN    VAL  108  12.00 +/- 1.31   0.133% *  1.7967% (0.97   0.02   0.02) =   0.003%
          HG3   LYS+ 112 - HN    VAL  108  11.51 +/- 0.82   0.168% *  1.1292% (0.61   0.02   0.02) =   0.002%
          QG2   VAL   24 - HN    VAL  108  17.19 +/- 0.91   0.014% *  1.8617% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.48 A, kept.
 
    Peak 659 (3.73, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.64, residual support = 27.3:
      O   HA    VAL   75 - HN    ASP-  76   2.20 +/- 0.02  99.998% * 99.6957% (0.69  10.0   4.64  27.25) = 100.000%  kept
          HA    ALA   61 - HN    ASP-  76  14.70 +/- 1.09   0.001% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASP-  76  17.54 +/- 0.98   0.000% *  0.1340% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASP-  76  21.71 +/- 1.24   0.000% *  0.0706% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 36.1:
      O   HB2   ASP-  76 - HN    ASP-  76   2.35 +/- 0.45  99.483% * 99.7699% (1.00  10.0   3.71  36.08) = 100.000%  kept
          HB2   ASP-  78 - HN    ASP-  76   6.46 +/- 0.39   0.509% *  0.0724% (0.73   1.0   0.02   3.10) =   0.000%
          HB2   ASN   28 - HN    ASP-  76  13.04 +/- 0.64   0.006% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  16.21 +/- 1.27   0.002% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  76  22.88 +/- 0.63   0.000% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    ASP-  76  21.55 +/- 0.68   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 661 (2.25, 9.10, 128.88 ppm):
    11 chemical-shift based assignments, quality = 0.278, support = 3.75, residual support = 36.1:
      O   HB3   ASP-  76 - HN    ASP-  76   3.10 +/- 0.33  99.494% * 97.9021% (0.28  10.0   3.75  36.08) =  99.999%  kept
          QG    GLN   90 - HN    ASP-  76  10.24 +/- 2.33   0.209% *  0.2278% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ASP-  76   8.76 +/- 0.19   0.224% *  0.1579% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP-  76  12.44 +/- 0.69   0.027% *  0.1994% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP-  76  13.61 +/- 0.76   0.016% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP-  76  14.75 +/- 2.34   0.015% *  0.3054% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  76  16.59 +/- 1.44   0.006% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  76  19.57 +/- 0.91   0.002% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  76  17.10 +/- 1.27   0.004% *  0.1201% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    ASP-  76  19.84 +/- 0.55   0.002% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP-  76  23.57 +/- 0.97   0.001% *  0.0784% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 27.3:
          QG1   VAL   75 - HN    ASP-  76   2.94 +/- 0.24  99.996% * 99.7156% (0.69   4.97  27.25) = 100.000%  kept
          QD1   LEU  115 - HN    ASP-  76  16.68 +/- 1.60   0.004% *  0.2844% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (0.13, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.64, residual support = 27.3:
          QG2   VAL   75 - HN    ASP-  76   3.92 +/- 0.29  99.920% * 99.6073% (0.98   4.64  27.25) = 100.000%  kept
          QG2   VAL   42 - HN    ASP-  76  13.04 +/- 0.23   0.080% *  0.3927% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.03 A, kept.
 
    Peak 664 (3.69, 8.60, 114.88 ppm):
    6 chemical-shift based assignments, quality = 0.427, support = 2.2, residual support = 9.36:
      O   HA2   GLY  109 - HN    GLY  109   2.60 +/- 0.28  99.960% * 99.3336% (0.43  10.0   2.20   9.36) = 100.000%  kept
          HA    THR  118 - HN    GLY  109  12.05 +/- 0.75   0.015% *  0.1522% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    GLY  109  12.02 +/- 0.74   0.013% *  0.1341% (0.58   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    GLY  109  13.81 +/- 0.57   0.006% *  0.1693% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    GLY  109  14.72 +/- 1.43   0.004% *  0.1620% (0.70   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    GLY  109  15.37 +/- 0.98   0.003% *  0.0488% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.691, support = 0.02, residual support = 0.02:
          HG3   LYS+ 111 - HN    GLY  109   6.33 +/- 1.17  83.170% * 20.3763% (0.70   0.02   0.02) =  87.172%  kept
          HG12  ILE   89 - HN    GLY  109   9.44 +/- 0.95   9.823% * 21.3024% (0.73   0.02   0.02) =  10.764%  kept
          HD2   LYS+ 112 - HN    GLY  109  11.76 +/- 1.37   5.824% *  4.3683% (0.15   0.02   0.02) =   1.309%  kept
          HG2   LYS+  74 - HN    GLY  109  14.12 +/- 1.01   0.881% * 13.3882% (0.46   0.02   0.02) =   0.607%  kept
          HG    LEU   71 - HN    GLY  109  21.49 +/- 1.72   0.069% * 14.2794% (0.49   0.02   0.02) =   0.050%
          HG3   LYS+  99 - HN    GLY  109  21.90 +/- 0.74   0.065% * 12.4970% (0.43   0.02   0.02) =   0.041%
          HB3   LEU   71 - HN    GLY  109  20.03 +/- 1.92   0.105% *  5.5041% (0.19   0.02   0.02) =   0.030%
          HG13  ILE   19 - HN    GLY  109  21.65 +/- 0.87   0.064% *  8.2844% (0.28   0.02   0.02) =   0.027%
    Distance limit 4.47 A violated in 15 structures by 1.60 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 = 7.44:
          QG1   VAL  108 - HN    GLY  109   2.51 +/- 0.32  99.990% * 98.9381% (0.65   3.09   7.44) = 100.000%  kept
          QD1   LEU   40 - HN    GLY  109  14.98 +/- 0.70   0.003% *  0.5069% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    GLY  109  14.16 +/- 1.12   0.005% *  0.2517% (0.26   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    GLY  109  16.57 +/- 1.65   0.002% *  0.3034% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 6.41:
      O   HA2   GLY  109 - HN    ALA  110   3.13 +/- 0.37  99.891% * 99.3336% (0.57  10.0   2.20   6.41) = 100.000%  kept
          HA    THR  118 - HN    ALA  110  11.97 +/- 0.86   0.044% *  0.1522% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA  110  13.23 +/- 1.11   0.026% *  0.1693% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  110  14.15 +/- 1.43   0.016% *  0.1620% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  110  13.89 +/- 0.77   0.017% *  0.1341% (0.76   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  110  16.31 +/- 1.33   0.007% *  0.0488% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.08 A, kept.
 
    Peak 669 (1.84, 8.75, 122.21 ppm):
    14 chemical-shift based assignments, quality = 0.222, support = 0.747, residual support = 6.63:
          HG2   PRO   93 - HN    ALA  110   2.93 +/- 1.00  96.609% * 54.6666% (0.22   0.75   6.65) =  99.649%  kept
          HB3   PRO   52 - HN    ALA  110   6.81 +/- 1.27   2.701% *  6.4182% (0.98   0.02   0.02) =   0.327%
          QB    LYS+ 106 - HN    ALA  110   8.92 +/- 0.89   0.346% *  1.2958% (0.20   0.02   0.02) =   0.008%
          HB3   GLN   90 - HN    ALA  110  11.26 +/- 1.82   0.222% *  1.8205% (0.28   0.02   0.02) =   0.008%
          HG2   ARG+  54 - HN    ALA  110  12.35 +/- 1.14   0.037% *  3.1872% (0.49   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ALA  110  13.71 +/- 1.02   0.031% *  2.9356% (0.45   0.02   0.02) =   0.002%
          HG12  ILE  103 - HN    ALA  110  16.56 +/- 0.97   0.011% *  5.2431% (0.80   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ALA  110  17.67 +/- 1.25   0.008% *  6.4182% (0.98   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    ALA  110  17.12 +/- 0.97   0.010% *  3.4450% (0.53   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    ALA  110  16.02 +/- 1.17   0.011% *  2.9356% (0.45   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    ALA  110  19.66 +/- 1.38   0.003% *  4.2358% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA  110  16.67 +/- 0.86   0.009% *  1.4578% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA  110  22.96 +/- 2.73   0.001% *  3.7071% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA  110  24.60 +/- 1.42   0.001% *  2.2335% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.12 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   2.59 +/- 0.23  98.944% * 98.9553% (0.69  10.0   2.12   9.59) =  99.999%  kept
          HB3   LEU  115 - HN    ALA  110   6.69 +/- 1.28   1.040% *  0.0592% (0.41   1.0   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    ALA  110  12.79 +/- 1.34   0.008% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA  110  16.35 +/- 1.21   0.002% *  0.1428% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA  110  18.41 +/- 1.54   0.001% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA  110  19.17 +/- 1.59   0.001% *  0.1412% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA  110  18.39 +/- 1.56   0.001% *  0.1046% (0.73   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  19.42 +/- 1.37   0.001% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  19.22 +/- 2.06   0.001% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  17.94 +/- 1.40   0.001% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  23.17 +/- 1.48   0.000% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  22.07 +/- 1.81   0.000% *  0.0874% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 7.06, residual support = 315.6:
      O   HB2   LYS+ 111 - HN    LYS+ 111   3.25 +/- 0.51  63.940% * 99.3619% (1.00  10.0   7.06 315.72) =  99.970%  kept
          QB    GLU- 114 - HN    LYS+ 111   3.82 +/- 0.95  35.968% *  0.0524% (0.53   1.0   0.02   2.45) =   0.030%
          HB    ILE  119 - HN    LYS+ 111  10.66 +/- 1.16   0.085% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 111  22.47 +/- 2.47   0.001% *  0.0893% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  22.49 +/- 1.25   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  23.03 +/- 1.60   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  21.80 +/- 3.11   0.002% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  21.76 +/- 1.38   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  25.80 +/- 1.48   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  28.22 +/- 1.45   0.000% *  0.0864% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  23.98 +/- 1.48   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  26.17 +/- 1.39   0.000% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.05 A, kept.
 
    Peak 672 (1.52, 7.58, 125.75 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.5, residual support = 315.7:
      O   HB3   LYS+ 111 - HN    LYS+ 111   2.55 +/- 0.45  99.965% * 99.4649% (0.92  10.0   5.50 315.72) = 100.000%  kept
          HB3   LYS+ 121 - HN    LYS+ 111  13.45 +/- 0.85   0.010% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+ 111  12.67 +/- 1.36   0.018% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LYS+ 111  15.84 +/- 1.16   0.002% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+ 111  16.45 +/- 1.77   0.002% *  0.0863% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+ 111  18.22 +/- 1.35   0.001% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  18.76 +/- 1.60   0.001% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  21.57 +/- 0.96   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  27.67 +/- 2.04   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.06 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.918, support = 6.54, residual support = 313.8:
          HG3   LYS+ 111 - HN    LYS+ 111   3.31 +/- 0.59  95.334% * 87.0238% (0.92   6.55 315.72) =  99.336%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   7.54 +/- 1.26   4.622% * 11.9953% (0.20   4.21  28.03) =   0.664%  kept
          HG12  ILE   89 - HN    LYS+ 111  13.85 +/- 1.20   0.026% *  0.2777% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    LYS+ 111  16.15 +/- 1.01   0.011% *  0.1745% (0.61   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    LYS+ 111  22.66 +/- 2.89   0.002% *  0.1861% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    LYS+ 111  22.47 +/- 1.72   0.002% *  0.1629% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 111  21.21 +/- 2.83   0.003% *  0.0717% (0.25   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    LYS+ 111  22.96 +/- 1.29   0.001% *  0.1080% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.17 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.22, residual support = 2.22:
          QD1   ILE   56 - HN    LYS+ 111   4.55 +/- 1.59  99.137% * 97.5471% (0.76   2.22   2.22) =  99.993%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  14.19 +/- 0.78   0.391% *  1.1093% (0.97   0.02   0.02) =   0.004%
          QD2   LEU  123 - HN    LYS+ 111  14.54 +/- 0.86   0.318% *  0.3921% (0.34   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    LYS+ 111  16.49 +/- 1.73   0.139% *  0.5595% (0.49   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LYS+ 111  23.38 +/- 1.63   0.016% *  0.3921% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 7 structures by 1.00 A, kept.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.75, residual support = 232.1:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.80 +/- 0.06  99.994% * 99.8622% (0.87  10.0   5.75 232.12) = 100.000%  kept
          HB2   HIS  122 - HN    LYS+ 112  17.33 +/- 1.14   0.002% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   46 - HN    LYS+ 112  15.85 +/- 1.48   0.003% *  0.0393% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  30.66 +/- 1.01   0.000% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 676 (2.02, 8.49, 124.18 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 7.05, residual support = 28.0:
          HB2   LYS+ 111 - HN    LYS+ 112   3.77 +/- 0.41  84.853% * 97.8497% (0.87   7.06  28.03) =  99.984%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.23 +/- 0.55  14.634% *  0.0889% (0.28   0.02   1.19) =   0.016%
          HB    ILE  119 - HN    LYS+ 112  10.71 +/- 0.64   0.221% *  0.1556% (0.49   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+ 112  11.35 +/- 0.79   0.142% *  0.0889% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+ 112  11.72 +/- 1.39   0.138% *  0.0712% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 112  23.43 +/- 2.43   0.002% *  0.3198% (1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 112  24.01 +/- 1.52   0.002% *  0.2560% (0.80   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 112  24.55 +/- 1.20   0.001% *  0.2560% (0.80   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 112  22.74 +/- 2.93   0.003% *  0.0560% (0.18   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 112  28.89 +/- 1.08   0.001% *  0.2560% (0.80   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 112  27.19 +/- 1.00   0.001% *  0.1556% (0.49   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 112  24.33 +/- 0.98   0.001% *  0.0712% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 112  29.08 +/- 1.22   0.001% *  0.1810% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 112  31.70 +/- 1.19   0.000% *  0.1939% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.04 A, kept.
 
    Peak 677 (1.39, 8.49, 124.18 ppm):
    13 chemical-shift based assignments, quality = 0.764, support = 5.72, residual support = 232.1:
      O   HB2   LYS+ 112 - HN    LYS+ 112   2.53 +/- 0.54  99.890% * 98.9690% (0.76  10.0   5.72 232.12) = 100.000%  kept
          HB3   PRO   93 - HN    LYS+ 112   9.28 +/- 0.79   0.093% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+ 112  14.55 +/- 1.92   0.010% *  0.0486% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+ 112  15.26 +/- 0.87   0.004% *  0.0838% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 112  19.37 +/- 1.85   0.001% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 112  19.97 +/- 1.46   0.001% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+ 112  19.94 +/- 0.84   0.001% *  0.0890% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 112  22.12 +/- 1.34   0.000% *  0.1123% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 112  21.20 +/- 1.06   0.001% *  0.0532% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  25.98 +/- 1.61   0.000% *  0.1082% (0.84   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  30.32 +/- 1.52   0.000% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  23.97 +/- 1.26   0.000% *  0.0323% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  31.20 +/- 1.19   0.000% *  0.1250% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.06 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.876, support = 5.73, residual support = 232.1:
      O   HB3   LYS+ 112 - HN    LYS+ 112   3.10 +/- 0.56  75.675% * 84.2443% (0.90  10.0   5.67 232.12) =  94.860%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.27 +/- 0.85  22.197% * 15.5600% (0.49   1.0   6.81 232.12) =   5.139%  kept
          QG2   VAL  107 - HN    LYS+ 112   6.50 +/- 1.34   2.087% *  0.0186% (0.20   1.0   0.02   0.02) =   0.001%
          QG2   THR   94 - HN    LYS+ 112  11.63 +/- 0.61   0.038% *  0.0815% (0.87   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LYS+ 112  19.06 +/- 0.96   0.002% *  0.0570% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  23.83 +/- 2.81   0.001% *  0.0386% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 680 (0.38, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 6.23, residual support = 232.1:
          HG2   LYS+ 112 - HN    LYS+ 112   3.55 +/- 0.73  99.856% * 98.1752% (0.34   6.23 232.12) =  99.999%  kept
          QB    ALA   47 - HN    LYS+ 112  12.60 +/- 1.09   0.095% *  0.7401% (0.80   0.02   0.02) =   0.001%
          QG1   VAL   42 - HN    LYS+ 112  14.88 +/- 1.18   0.028% *  0.6349% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    LYS+ 112  15.46 +/- 0.96   0.022% *  0.4499% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.03 A, kept.
 
    Peak 681 (0.80, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.74, residual support = 8.56:
          QD1   ILE   56 - HN    LYS+ 112   5.03 +/- 1.40  98.715% * 96.8845% (0.76   1.74   8.56) =  99.987%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  15.55 +/- 0.96   0.644% *  1.4089% (0.97   0.02   0.02) =   0.009%
          QD2   LEU  123 - HN    LYS+ 112  13.98 +/- 0.64   0.507% *  0.4980% (0.34   0.02   0.02) =   0.003%
          QD2   LEU   73 - HN    LYS+ 112  18.91 +/- 1.31   0.122% *  0.7106% (0.49   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LYS+ 112  26.94 +/- 1.27   0.011% *  0.4980% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 8 structures by 1.20 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.94, residual support = 232.1:
          HG3   LYS+ 112 - HN    LYS+ 112   3.31 +/- 0.42  99.780% * 99.2175% (0.87   5.94 232.12) = 100.000%  kept
          HG    LEU   63 - HN    LYS+ 112  13.55 +/- 1.21   0.031% *  0.3776% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  108 - HN    LYS+ 112   9.73 +/- 0.61   0.187% *  0.0594% (0.15   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LYS+ 112  23.12 +/- 0.87   0.001% *  0.3455% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.16 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.15, residual support = 15.6:
      O   HA    LYS+ 112 - HN    ASP- 113   3.56 +/- 0.05  99.980% * 99.8622% (0.74  10.0   5.15  15.55) = 100.000%  kept
          HB2   HIS  122 - HN    ASP- 113  16.37 +/- 0.97   0.012% *  0.0698% (0.52   1.0   0.02   0.02) =   0.000%
          HB    THR   46 - HN    ASP- 113  17.59 +/- 1.26   0.008% *  0.0393% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    ASP- 113  31.96 +/- 0.84   0.000% *  0.0287% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 3.43, residual support = 14.3:
      O   QB    ASP- 113 - HN    ASP- 113   2.10 +/- 0.07 100.000% *100.0000% (0.82  10.0   3.43  14.29) = 100.000%  kept
    Distance limit 3.05 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 = 2.86, residual support = 23.8:
          QG    GLU- 114 - HN    ASP- 113   4.48 +/- 0.48  99.271% * 93.5304% (0.26   2.86  23.78) =  99.993%  kept
          HB2   PRO   58 - HN    ASP- 113  12.82 +/- 2.00   0.292% *  1.0331% (0.41   0.02   0.02) =   0.003%
          HG2   PRO   52 - HN    ASP- 113  13.87 +/- 1.08   0.136% *  1.6221% (0.65   0.02   0.02) =   0.002%
          HG2   MET   92 - HN    ASP- 113  13.02 +/- 2.35   0.297% *  0.5292% (0.21   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    ASP- 113  26.93 +/- 1.00   0.002% *  0.7966% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ASP- 113  34.61 +/- 1.07   0.001% *  1.9593% (0.79   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP- 113  36.36 +/- 1.14   0.000% *  0.5292% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.15 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.783, support = 2.83, residual support = 7.63:
          HB2   LYS+ 111 - HN    ASP- 113   3.62 +/- 0.68  75.162% * 60.2981% (0.85   2.76   4.37) =  83.222%  kept
          QB    GLU- 114 - HN    ASP- 113   4.46 +/- 0.31  24.612% * 37.1227% (0.45   3.22  23.78) =  16.777%  kept
          HB    ILE  119 - HN    ASP- 113   9.85 +/- 0.45   0.219% *  0.1093% (0.21   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP- 113  23.11 +/- 2.56   0.002% *  0.3933% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP- 113  24.89 +/- 1.30   0.001% *  0.4298% (0.84   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP- 113  24.72 +/- 1.09   0.001% *  0.4298% (0.84   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP- 113  22.31 +/- 2.93   0.002% *  0.1646% (0.32   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP- 113  25.13 +/- 0.79   0.001% *  0.1966% (0.38   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP- 113  29.62 +/- 0.91   0.000% *  0.2307% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP- 113  32.91 +/- 1.14   0.000% *  0.3804% (0.74   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP- 113  28.47 +/- 1.02   0.000% *  0.1353% (0.26   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP- 113  27.80 +/- 0.85   0.000% *  0.1093% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.39, 8.43, 117.70 ppm):
    13 chemical-shift based assignments, quality = 0.651, support = 5.71, residual support = 15.6:
          HB2   LYS+ 112 - HN    ASP- 113   3.32 +/- 0.43  99.786% * 96.4798% (0.65   5.71  15.55) = 100.000%  kept
          HB3   PRO   93 - HN    ASP- 113  10.96 +/- 0.81   0.138% *  0.0682% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP- 113  13.16 +/- 2.22   0.046% *  0.1660% (0.32   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP- 113  14.74 +/- 0.83   0.016% *  0.2860% (0.55   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ASP- 113  19.86 +/- 1.53   0.003% *  0.4082% (0.79   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ASP- 113  20.10 +/- 1.29   0.003% *  0.4082% (0.79   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP- 113  19.70 +/- 0.74   0.003% *  0.3037% (0.59   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ASP- 113  22.96 +/- 1.26   0.001% *  0.3836% (0.74   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP- 113  25.24 +/- 1.52   0.001% *  0.3693% (0.71   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP- 113  22.56 +/- 0.89   0.001% *  0.1818% (0.35   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ASP- 113  30.67 +/- 1.42   0.000% *  0.4082% (0.79   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP- 113  25.39 +/- 1.19   0.001% *  0.1103% (0.21   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ASP- 113  31.46 +/- 1.04   0.000% *  0.4267% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 1 structures by 0.12 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.709, support = 4.7, residual support = 15.6:
          HB3   LYS+ 112 - HN    ASP- 113   3.71 +/- 0.46  75.262% * 58.9666% (0.76   4.51  15.55) =  84.009%  kept
          HD2   LYS+ 112 - HN    ASP- 113   5.23 +/- 1.04  20.890% * 40.4256% (0.41   5.69  15.55) =  15.986%  kept
          QG2   VAL  107 - HN    ASP- 113   6.82 +/- 1.14   3.775% *  0.0577% (0.17   0.02   0.02) =   0.004%
          QG2   THR   94 - HN    ASP- 113  12.34 +/- 0.59   0.065% *  0.2531% (0.74   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ASP- 113  18.79 +/- 0.94   0.005% *  0.1770% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    ASP- 113  24.01 +/- 2.78   0.002% *  0.1199% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.05 A, kept.
 
    Peak 689 (4.37, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.59, residual support = 23.8:
      O   HA    ASP- 113 - HN    GLU- 114   3.61 +/- 0.03  99.484% * 99.6702% (1.00  10.0   3.59  23.78) = 100.000%  kept
          HA    ILE   56 - HN    GLU- 114   9.76 +/- 1.22   0.334% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 114  10.99 +/- 1.24   0.158% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 114  15.60 +/- 0.39   0.015% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU- 114  21.36 +/- 1.11   0.002% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  18.78 +/- 0.99   0.005% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  29.28 +/- 1.40   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 3.59, residual support = 23.8:
          QB    ASP- 113 - HN    GLU- 114   2.58 +/- 0.22  99.994% * 99.8716% (0.97   3.59  23.78) = 100.000%  kept
          HB2   ASP-  62 - HN    GLU- 114  13.68 +/- 1.28   0.006% *  0.1284% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 4.38, residual support = 44.3:
          QG    GLU- 114 - HN    GLU- 114   2.63 +/- 0.48  99.979% * 97.7157% (0.84   4.38  44.28) = 100.000%  kept
          HG2   MET   92 - HN    GLU- 114  12.71 +/- 2.22   0.014% *  0.4086% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU- 114  13.94 +/- 1.35   0.007% *  0.5240% (0.98   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU- 114  25.97 +/- 1.21   0.000% *  0.4794% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU- 114  33.13 +/- 1.25   0.000% *  0.4637% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    GLU- 114  34.49 +/- 1.14   0.000% *  0.4086% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.842, support = 3.82, residual support = 39.5:
      O   QB    GLU- 114 - HN    GLU- 114   2.30 +/- 0.21  57.746% * 84.6723% (0.84  10.0   3.89  44.28) =  88.660%  kept
          HB2   LYS+ 111 - HN    GLU- 114   2.76 +/- 1.00  42.253% * 14.8006% (0.90   1.0   3.26   2.45) =  11.340%  kept
          HG2   PRO   68 - HN    GLU- 114  21.19 +/- 2.92   0.000% *  0.0696% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  22.04 +/- 2.48   0.000% *  0.0615% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  23.68 +/- 1.22   0.000% *  0.0959% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  24.15 +/- 1.22   0.000% *  0.0959% (0.95   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  23.84 +/- 0.90   0.000% *  0.0775% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  31.46 +/- 1.40   0.000% *  0.1014% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  28.06 +/- 1.14   0.000% *  0.0253% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 1.15, residual support = 2.45:
          HB3   LYS+ 111 - HN    GLU- 114   3.31 +/- 0.51  99.394% * 91.4361% (0.92   1.15   2.45) =  99.994%  kept
          HD2   LYS+ 121 - HN    GLU- 114  10.65 +/- 1.96   0.464% *  0.7089% (0.41   0.02   0.02) =   0.004%
          HB3   LYS+ 121 - HN    GLU- 114  11.18 +/- 0.88   0.106% *  1.6903% (0.98   0.02   0.02) =   0.002%
          QD    LYS+  66 - HN    GLU- 114  15.50 +/- 1.83   0.019% *  1.3808% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    GLU- 114  17.86 +/- 1.24   0.006% *  1.6903% (0.98   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    GLU- 114  18.84 +/- 1.20   0.006% *  1.5465% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLU- 114  19.32 +/- 1.41   0.004% *  0.5882% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    GLU- 114  23.84 +/- 0.78   0.001% *  0.4795% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    GLU- 114  29.23 +/- 1.79   0.000% *  0.4795% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.04 A, kept.
 
    Peak 694 (1.10, 8.16, 121.97 ppm):
    5 chemical-shift based assignments, quality = 0.887, support = 1.41, residual support = 3.11:
          QG1   VAL  107 - HN    GLU- 114   5.12 +/- 0.73  74.168% * 35.7427% (0.84   1.19   4.18) =  64.437%  kept
          HD3   LYS+ 112 - HN    GLU- 114   6.70 +/- 1.24  23.239% * 62.9241% (0.98   1.79   1.19) =  35.544%  kept
          HG13  ILE  119 - HN    GLU- 114   9.30 +/- 1.24   2.579% *  0.2948% (0.41   0.02   0.02) =   0.018%
          QG1   VAL   24 - HN    GLU- 114  22.21 +/- 1.68   0.011% *  0.7170% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    GLU- 114  26.31 +/- 1.42   0.004% *  0.3215% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.19 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   2.90 +/- 0.36  99.973% * 99.4046% (0.57  10.0   3.86  14.94) = 100.000%  kept
          HA    GLN   30 - HN    GLY  101  13.47 +/- 1.61   0.024% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLY  101  17.98 +/- 1.46   0.003% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLY  101  26.02 +/- 1.68   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  26.45 +/- 1.43   0.000% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  29.21 +/- 1.05   0.000% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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   2.91 +/- 0.05  99.994% * 99.9154% (0.53  10.0   2.86  15.44) = 100.000%  kept
          HB2   TRP   27 - HN    GLY  101  15.71 +/- 1.57   0.005% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    GLY  101  23.22 +/- 0.59   0.000% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 697 (3.82, 10.11, 128.03 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 6.39, residual support = 75.7:
      O   HA    GLU- 100 - HN    GLU- 100   2.25 +/- 0.09  99.996% * 99.4046% (0.57  10.0   6.39  75.70) = 100.000%  kept
          HA    GLN   30 - HN    GLU- 100  12.63 +/- 1.15   0.004% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLU- 100  19.42 +/- 1.24   0.000% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  25.83 +/- 1.55   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  25.63 +/- 1.22   0.000% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  29.50 +/- 0.72   0.000% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 4.3, residual support = 75.7:
          HG3   GLU- 100 - HN    GLU- 100   2.83 +/- 0.62  99.946% * 97.4407% (0.69   4.30  75.70) = 100.000%  kept
          QB    GLN   32 - HN    GLU- 100  11.71 +/- 0.72   0.041% *  0.6461% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU- 100  15.09 +/- 1.30   0.008% *  0.6461% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU- 100  19.28 +/- 1.04   0.002% *  0.6235% (0.95   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    GLU- 100  18.58 +/- 1.57   0.002% *  0.1467% (0.22   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLU- 100  25.10 +/- 2.75   0.001% *  0.1304% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU- 100  25.13 +/- 1.24   0.000% *  0.1833% (0.28   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU- 100  27.67 +/- 1.29   0.000% *  0.1833% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 39.7:
          HB2   LYS+  99 - HN    GLU- 100   4.47 +/- 0.10  99.699% * 99.1244% (0.73   5.60  39.69) =  99.999%  kept
          HB    VAL   43 - HN    GLU- 100  12.03 +/- 0.74   0.286% *  0.4069% (0.84   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    GLU- 100  24.96 +/- 0.84   0.003% *  0.3723% (0.76   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    GLU- 100  20.49 +/- 0.96   0.011% *  0.0964% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.13 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 6.35, residual support = 39.7:
          HG2   LYS+  99 - HN    GLU- 100   3.28 +/- 0.25  98.501% * 98.3864% (0.90   6.35  39.69) =  99.995%  kept
          HG2   LYS+  38 - HN    GLU- 100   7.08 +/- 1.07   1.352% *  0.3332% (0.97   0.02   0.02) =   0.005%
          HB2   LEU   31 - HN    GLU- 100  10.44 +/- 0.87   0.122% *  0.1955% (0.57   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU- 100  17.91 +/- 0.89   0.004% *  0.3266% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLU- 100  16.38 +/- 0.90   0.007% *  0.1066% (0.31   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    GLU- 100  18.59 +/- 0.48   0.003% *  0.2094% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLU- 100  16.25 +/- 0.55   0.007% *  0.0769% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLU- 100  20.13 +/- 0.91   0.002% *  0.1420% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLU- 100  24.45 +/- 2.33   0.001% *  0.2234% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 4.76, residual support = 171.9:
      O   HB2   LYS+  99 - HN    LYS+  99   2.96 +/- 0.24  99.875% * 99.7262% (0.99  10.0   4.76 171.88) = 100.000%  kept
          HB    VAL   43 - HN    LYS+  99  10.65 +/- 0.83   0.059% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  10.74 +/- 0.51   0.054% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+  99  20.68 +/- 1.09   0.001% *  0.0570% (0.57   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    LYS+  99  23.87 +/- 0.99   0.000% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  16.62 +/- 0.99   0.004% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  17.31 +/- 0.59   0.003% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  16.35 +/- 0.96   0.004% *  0.0037% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.566, support = 3.72, residual support = 16.6:
          QB    LEU   98 - HN    LYS+  99   2.92 +/- 0.21  99.267% * 93.3590% (0.57   3.72  16.57) =  99.999%  kept
          HD3   LYS+ 121 - HN    LYS+  99  11.48 +/- 2.03   0.063% *  0.7688% (0.87   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LYS+  99  13.09 +/- 2.02   0.020% *  0.3973% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN   30   7.56 +/- 0.63   0.411% *  0.0090% (0.01   0.02   4.25) =   0.000%
          HG12  ILE   19 - HN    GLN   30  10.29 +/- 0.66   0.061% *  0.0522% (0.06   0.02   9.84) =   0.000%
          HG12  ILE   19 - HN    LYS+  99  16.96 +/- 1.97   0.004% *  0.7948% (0.90   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+  99  12.77 +/- 1.22   0.019% *  0.1367% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLN   30  11.09 +/- 0.92   0.044% *  0.0466% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLN   30  11.49 +/- 0.51   0.030% *  0.0562% (0.06   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  99  18.48 +/- 0.90   0.002% *  0.7403% (0.84   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  99  17.72 +/- 0.59   0.002% *  0.5375% (0.61   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    GLN   30  11.29 +/- 0.93   0.036% *  0.0330% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+  99  18.99 +/- 1.01   0.002% *  0.7403% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+  99  19.51 +/- 0.95   0.001% *  0.8553% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    GLN   30  12.23 +/- 0.40   0.021% *  0.0486% (0.05   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+  99  16.37 +/- 1.17   0.004% *  0.2464% (0.28   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  99  20.01 +/- 1.02   0.001% *  0.7097% (0.80   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  99  21.52 +/- 1.82   0.001% *  0.2735% (0.31   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    GLN   30  16.10 +/- 1.97   0.005% *  0.0180% (0.02   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    GLN   30  17.67 +/- 0.95   0.002% *  0.0353% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  17.64 +/- 1.41   0.003% *  0.0261% (0.03   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  21.52 +/- 0.92   0.001% *  0.0486% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLN   30  23.11 +/- 2.02   0.001% *  0.0505% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  21.11 +/- 0.83   0.001% *  0.0162% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.773, support = 3.2, residual support = 17.0:
          QD2   LEU  104 - HN    LYS+  99   3.25 +/- 0.69  77.445% * 46.3421% (0.80   2.96  17.12) =  75.677%  kept
          QD1   LEU   98 - HN    LYS+  99   4.36 +/- 0.59  21.711% * 53.1282% (0.69   3.95  16.57) =  24.322%  kept
          QD1   ILE   19 - HN    GLN   30   8.05 +/- 0.83   0.641% *  0.0166% (0.04   0.02   9.84) =   0.000%
          QD1   ILE   19 - HN    LYS+  99  14.64 +/- 1.36   0.017% *  0.2532% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   98 - HN    GLN   30  11.05 +/- 0.99   0.100% *  0.0177% (0.05   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LYS+  99  15.04 +/- 0.76   0.013% *  0.0871% (0.22   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LYS+  99  17.77 +/- 0.80   0.005% *  0.1208% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    GLN   30  12.18 +/- 0.54   0.043% *  0.0057% (0.01   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    GLN   30  15.78 +/- 0.88   0.008% *  0.0206% (0.05   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  14.01 +/- 0.57   0.017% *  0.0079% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.02 A, kept.
 
    Peak 706 (0.59, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.862, support = 3.99, residual support = 17.0:
          QD1   LEU  104 - HN    LYS+  99   3.23 +/- 0.86  82.620% * 93.9793% (0.87   4.00  17.12) =  99.296%  kept
          QD1   LEU   73 - HN    GLN   30   4.81 +/- 0.44  15.792% *  3.4731% (0.06   2.25   4.25) =   0.701%  kept
          QD1   LEU   73 - HN    LYS+  99  10.33 +/- 0.96   0.146% *  0.4699% (0.87   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    LYS+  99  11.65 +/- 0.96   0.068% *  0.4699% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    GLN   30   7.78 +/- 0.58   0.785% *  0.0353% (0.07   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LYS+  99  10.77 +/- 0.89   0.109% *  0.1506% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  99  16.08 +/- 1.86   0.014% *  0.5405% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LYS+  99  15.24 +/- 0.94   0.013% *  0.5369% (0.99   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    GLN   30   8.80 +/- 0.86   0.404% *  0.0146% (0.03   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LYS+  99  15.12 +/- 1.17   0.014% *  0.2227% (0.41   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN   30  14.97 +/- 1.17   0.011% *  0.0309% (0.06   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    GLN   30  15.78 +/- 0.94   0.011% *  0.0309% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    GLN   30  15.83 +/- 1.11   0.010% *  0.0099% (0.02   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    GLN   30  21.48 +/- 1.83   0.002% *  0.0355% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 4.07, residual support = 11.0:
          HB3   PHE   97 - HN    LEU   98   3.72 +/- 0.06  99.502% * 97.5690% (0.65   4.07  11.00) =  99.997%  kept
          HB2   GLU- 100 - HN    LEU   98   9.25 +/- 0.41   0.440% *  0.6644% (0.90   0.02   0.02) =   0.003%
          QG    GLN   32 - HN    LEU   98  13.85 +/- 0.53   0.039% *  0.3897% (0.53   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    LEU   98  18.25 +/- 1.12   0.008% *  0.5932% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    LEU   98  18.50 +/- 0.96   0.007% *  0.6188% (0.84   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   98  19.74 +/- 1.25   0.005% *  0.1649% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 0.687, support = 3.81, residual support = 26.6:
          HB    VAL   41 - HN    LEU   98   4.51 +/- 1.13  55.394% * 54.9344% (0.65   4.45  25.33) =  71.885%  kept
          HG12  ILE  103 - HN    LEU   98   5.06 +/- 0.54  34.205% * 33.8441% (0.80   2.21  30.61) =  27.346%  kept
          HB3   ASP- 105 - HN    LEU   98   7.05 +/- 0.41   3.422% *  9.2174% (0.45   1.08   5.53) =   0.745%  kept
          HB    ILE  103 - HN    LEU   98   7.13 +/- 0.28   3.346% *  0.2008% (0.53   0.02  30.61) =   0.016%
          QB    LYS+ 106 - HN    LEU   98   7.19 +/- 0.43   3.184% *  0.0755% (0.20   0.02   0.02) =   0.006%
          HG3   PRO   68 - HN    LEU   98  14.12 +/- 1.91   0.140% *  0.2161% (0.57   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    LEU   98  12.76 +/- 1.00   0.117% *  0.1711% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   98  12.24 +/- 0.40   0.124% *  0.1302% (0.34   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU   98  16.81 +/- 1.59   0.024% *  0.3742% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   98  16.49 +/- 0.59   0.021% *  0.0850% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   98  21.83 +/- 0.87   0.004% *  0.3742% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   98  19.29 +/- 0.61   0.008% *  0.1061% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU   98  19.36 +/- 0.72   0.008% *  0.0850% (0.22   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   98  23.93 +/- 1.45   0.002% *  0.1858% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.23 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.835, support = 5.02, residual support = 81.1:
      O   QB    LEU   98 - HN    LEU   98   2.93 +/- 0.20  96.483% * 99.2383% (0.84  10.0   5.02  81.13) =  99.999%  kept
          HB    VAL   42 - HN    LEU   98   5.33 +/- 0.56   3.301% *  0.0208% (0.18   1.0   0.02   0.77) =   0.001%
          HD3   LYS+ 121 - HN    LEU   98  10.60 +/- 1.81   0.093% *  0.1185% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   98  10.58 +/- 1.86   0.063% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   98  13.66 +/- 1.93   0.016% *  0.0769% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   98  14.83 +/- 0.93   0.006% *  0.1178% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   98  16.23 +/- 0.94   0.004% *  0.1165% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  13.24 +/- 0.79   0.013% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   98  15.62 +/- 0.96   0.005% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   98  14.42 +/- 0.53   0.008% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   98  16.56 +/- 0.96   0.003% *  0.0625% (0.53   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  20.03 +/- 1.64   0.001% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  17.36 +/- 1.06   0.003% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.964, support = 4.36, residual support = 9.23:
          QD2   LEU   40 - HN    LEU   98   3.18 +/- 0.50  91.391% * 84.3398% (0.97   4.39   9.08) =  99.288%  kept
          QG2   ILE  103 - HN    LEU   98   5.71 +/- 0.32   3.768% * 14.4999% (0.87   0.84  30.61) =   0.704%  kept
          QD1   LEU   67 - HN    LEU   98   8.44 +/- 1.86   0.802% *  0.3769% (0.95   0.02   0.02) =   0.004%
          QD1   ILE  103 - HN    LEU   98   5.79 +/- 0.58   3.622% *  0.0788% (0.20   0.02  30.61) =   0.004%
          QD2   LEU   71 - HN    LEU   98   8.99 +/- 1.08   0.375% *  0.1108% (0.28   0.02   0.02) =   0.001%
          HB    VAL   75 - HN    LEU   98  12.65 +/- 0.79   0.032% *  0.2893% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   98  15.60 +/- 0.88   0.009% *  0.3045% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 0.378, support = 4.62, residual support = 76.2:
          QD1   LEU   98 - HN    LEU   98   3.26 +/- 0.82  72.876% * 55.7992% (0.38   4.85  81.13) =  92.621%  kept
          QG1   VAL   41 - HN    LEU   98   4.84 +/- 0.88  11.187% * 13.4495% (0.15   2.84  25.33) =   3.427%  kept
          QD2   LEU  104 - HN    LEU   98   5.69 +/- 0.65   3.938% * 22.2988% (0.99   0.73   8.93) =   2.000%  kept
          QG1   VAL   43 - HN    LEU   98   4.78 +/- 0.73  11.868% *  7.2154% (0.28   0.85   0.25) =   1.950%  kept
          QD1   ILE   19 - HN    LEU   98  12.10 +/- 1.20   0.053% *  0.5664% (0.92   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LEU   98  11.58 +/- 0.79   0.060% *  0.2986% (0.49   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   98  14.17 +/- 0.78   0.018% *  0.3721% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.217, support = 4.49, residual support = 52.8:
          QD2   LEU   98 - HN    LEU   98   3.16 +/- 0.80  58.838% * 29.5199% (0.15   4.68  81.13) =  50.644%  kept
          QG2   VAL   41 - HN    LEU   98   3.90 +/- 0.60  29.084% * 52.6601% (0.28   4.63  25.33) =  44.658%  kept
          QD1   LEU  104 - HN    LEU   98   4.65 +/- 1.08  10.943% * 14.6506% (0.31   1.16   8.93) =   4.675%  kept
          QD1   LEU   73 - HN    LEU   98   7.55 +/- 0.83   0.465% *  0.7334% (0.90   0.02   0.02) =   0.010%
          QD2   LEU   63 - HN    LEU   98   8.10 +/- 1.02   0.377% *  0.6831% (0.84   0.02   0.02) =   0.008%
          QD1   LEU   63 - HN    LEU   98   8.59 +/- 1.05   0.251% *  0.7334% (0.90   0.02   0.02) =   0.005%
          QD2   LEU   80 - HN    LEU   98  12.43 +/- 0.77   0.019% *  0.4303% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   98  13.53 +/- 2.07   0.015% *  0.4630% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   98  14.40 +/- 0.75   0.008% *  0.1262% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.97 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   2.38 +/- 0.18  99.041% * 99.6886% (0.95  10.0   4.84  62.60) =  99.999%  kept
          QE    LYS+ 106 - HN    PHE   97   5.63 +/- 0.64   0.883% *  0.0554% (0.53   1.0   0.02  10.43) =   0.000%
          QE    LYS+  99 - HN    PHE   97   9.53 +/- 0.77   0.027% *  0.0639% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    PHE   97   9.84 +/- 0.98   0.037% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   97  13.42 +/- 0.70   0.004% *  0.1017% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    PHE   97  12.33 +/- 1.35   0.007% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    PHE   97  16.33 +/- 1.20   0.001% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 714 (2.62, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.6, residual support = 45.7:
          HG2   MET   96 - HN    PHE   97   3.47 +/- 0.54  99.991% * 99.8228% (0.98   5.60  45.69) = 100.000%  kept
          HB2   PRO   52 - HN    PHE   97  17.30 +/- 1.31   0.009% *  0.1772% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.68 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   3.56 +/- 0.08  98.174% * 99.0693% (0.34  10.0   5.19  62.60) =  99.998%  kept
          HB    VAL  107 - HN    PHE   97   7.09 +/- 0.49   1.746% *  0.0808% (0.28   1.0   0.02   2.43) =   0.001%
          HB2   GLU- 100 - HN    PHE   97  12.71 +/- 0.59   0.049% *  0.1762% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    PHE   97  15.34 +/- 0.87   0.016% *  0.1414% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   97  16.80 +/- 0.73   0.009% *  0.2426% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   97  18.49 +/- 0.77   0.005% *  0.2898% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 0.521, support = 5.24, residual support = 50.1:
          HB2   MET   96 - HN    PHE   97   4.02 +/- 0.12  79.092% * 35.2420% (0.31   6.07  45.69) =  68.406%  kept
          HB2   ASP- 105 - HN    PHE   97   5.14 +/- 0.50  20.334% * 63.3060% (0.98   3.44  59.70) =  31.591%  kept
          HG12  ILE  119 - HN    PHE   97  10.41 +/- 1.69   0.418% *  0.1545% (0.41   0.02   0.40) =   0.002%
          HG2   GLU- 100 - HN    PHE   97  13.29 +/- 0.87   0.070% *  0.2873% (0.76   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   97  16.85 +/- 0.77   0.015% *  0.3371% (0.90   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   97  14.07 +/- 1.37   0.056% *  0.0580% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    PHE   97  18.71 +/- 0.53   0.008% *  0.3140% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   97  19.03 +/- 0.65   0.007% *  0.3010% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 45.7:
          HB3   MET   96 - HN    PHE   97   4.53 +/- 0.09  99.624% * 91.3874% (0.15   6.07  45.69) =  99.995%  kept
          HB3   GLN   30 - HN    PHE   97  13.97 +/- 0.67   0.122% *  1.4160% (0.73   0.02   0.02) =   0.002%
          HB2   MET   92 - HN    PHE   97  15.38 +/- 0.73   0.068% *  1.6915% (0.87   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    PHE   97  14.54 +/- 1.20   0.101% *  0.7319% (0.38   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    PHE   97  16.10 +/- 0.60   0.051% *  1.0260% (0.53   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    PHE   97  18.54 +/- 0.71   0.022% *  1.9114% (0.98   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   97  21.03 +/- 1.38   0.011% *  0.7319% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   97  30.31 +/- 2.07   0.001% *  1.1040% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.30 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.618, support = 1.26, residual support = 1.23:
          QG2   ILE  103 - HN    PHE   97   3.77 +/- 0.41  91.143% * 46.8135% (0.61   1.27   1.27) =  92.591%  kept
          QD2   LEU   40 - HN    PHE   97   6.10 +/- 0.65   6.765% * 50.2653% (0.76   1.08   0.73) =   7.379%  kept
          QD1   LEU   67 - HN    PHE   97   9.28 +/- 2.42   1.132% *  0.8808% (0.73   0.02   0.02) =   0.022%
          QD1   ILE  119 - HN    PHE   97  10.10 +/- 1.76   0.830% *  0.3025% (0.25   0.02   0.40) =   0.005%
          HB    VAL   75 - HN    PHE   97  12.11 +/- 0.87   0.107% *  1.1475% (0.95   0.02   0.02) =   0.003%
          HG3   LYS+  74 - HN    PHE   97  15.38 +/- 0.74   0.023% *  0.5904% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.01 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   3.72 +/- 0.24  98.279% * 95.7137% (0.24   4.00  11.99) =  99.980%  kept
          HB3   TRP   87 - HN    MET   96   7.54 +/- 0.73   1.677% *  1.0877% (0.54   0.02   0.02) =   0.019%
          HG3   GLN  116 - HN    MET   96  16.71 +/- 1.49   0.015% *  0.9352% (0.46   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    MET   96  18.63 +/- 0.89   0.007% *  1.8832% (0.93   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    MET   96  15.51 +/- 1.34   0.023% *  0.3802% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.03 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   2.87 +/- 0.19  99.670% * 99.6054% (0.94  10.0   4.06 115.54) = 100.000%  kept
          HB2   ASP- 105 - HN    MET   96   8.04 +/- 0.44   0.261% *  0.0448% (0.42   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    MET   96  11.28 +/- 1.53   0.043% *  0.0725% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    MET   96  14.46 +/- 0.62   0.006% *  0.0686% (0.65   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    MET   96  14.86 +/- 0.91   0.006% *  0.0646% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    MET   96  15.69 +/- 0.96   0.004% *  0.0763% (0.72   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  13.99 +/- 0.47   0.008% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  17.97 +/- 0.67   0.002% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 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   2.53 +/- 0.14  99.964% * 99.5022% (0.57  10.0   3.97 115.54) = 100.000%  kept
          HB2   LEU   40 - HN    MET   96  11.79 +/- 0.69   0.011% *  0.1552% (0.89   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    MET   96  12.42 +/- 1.31   0.010% *  0.0863% (0.50   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    MET   96  11.79 +/- 1.66   0.014% *  0.0456% (0.26   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    MET   96  18.12 +/- 1.16   0.001% *  0.1314% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   96  19.31 +/- 1.24   0.001% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  29.17 +/- 1.83   0.000% *  0.0287% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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   3.70 +/- 0.31  99.168% * 76.2797% (0.19   1.50  16.41) =  99.966%  kept
          HB2   LEU   71 - HN    MET   96  10.07 +/- 0.61   0.276% *  4.4580% (0.82   0.02   0.02) =   0.016%
          HG2   PRO   93 - HN    MET   96  10.64 +/- 0.48   0.199% *  2.5016% (0.46   0.02   0.02) =   0.007%
          QB    LYS+ 102 - HN    MET   96  11.93 +/- 0.30   0.095% *  3.7319% (0.69   0.02   0.02) =   0.005%
          HB2   LYS+  99 - HN    MET   96  11.58 +/- 0.43   0.120% *  1.4289% (0.26   0.02   0.02) =   0.002%
          QB    LYS+  65 - HN    MET   96  14.05 +/- 0.48   0.037% *  4.2927% (0.79   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    MET   96  12.78 +/- 1.01   0.073% *  1.2815% (0.24   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    MET   96  16.54 +/- 0.92   0.015% *  4.7442% (0.87   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    MET   96  16.34 +/- 0.93   0.017% *  1.2815% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.05 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.848, support = 1.46, residual support = 1.8:
          QG2   THR   94 - HN    MET   96   4.51 +/- 0.27  96.173% * 95.2249% (0.85   1.47   1.80) =  99.975%  kept
          HB3   LEU   71 - HN    MET   96  10.72 +/- 1.23   0.912% *  1.3712% (0.89   0.02   0.02) =   0.014%
          HG12  ILE   89 - HN    MET   96   8.48 +/- 0.79   2.730% *  0.3227% (0.21   0.02   2.25) =   0.010%
          HB3   LYS+ 112 - HN    MET   96  17.09 +/- 1.08   0.037% *  1.2574% (0.82   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HN    MET   96  17.84 +/- 1.61   0.033% *  1.4208% (0.93   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    MET   96  14.32 +/- 1.43   0.115% *  0.4030% (0.26   0.02   0.02) =   0.001%
    Distance limit 4.48 A violated in 0 structures by 0.13 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 +/- 0.52  95.385% * 96.6032% (0.76   2.96  16.41) =  99.967%  kept
          QG2   VAL   18 - HN    MET   96   9.25 +/- 0.90   1.182% *  0.7874% (0.91   0.02   0.02) =   0.010%
          QG2   THR   46 - HN    MET   96   9.55 +/- 0.71   1.039% *  0.8141% (0.94   0.02   0.02) =   0.009%
          QG1   VAL   41 - HN    MET   96   8.74 +/- 0.42   1.505% *  0.4949% (0.57   0.02   0.02) =   0.008%
          QD2   LEU  104 - HN    MET   96   9.99 +/- 0.61   0.686% *  0.5925% (0.69   0.02   0.02) =   0.004%
          QD1   ILE   19 - HN    MET   96  12.30 +/- 0.69   0.202% *  0.7078% (0.82   0.02   0.02) =   0.002%
    Distance limit 4.55 A violated in 0 structures by 0.07 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.826, support = 1.06, residual support = 0.946:
          QD1   LEU   63 - HN    MET   96   6.50 +/- 1.17  22.393% * 60.9714% (0.85   1.16   0.96) =  80.973%  kept
          QD2   LEU   63 - HN    MET   96   7.49 +/- 1.04   8.806% * 33.5832% (0.79   0.68   0.96) =  17.539%  kept
          QD2   LEU   98 - HN    MET   96   5.63 +/- 0.98  44.034% *  0.1815% (0.15   0.02   0.40) =   0.474%
          QD1   LEU   73 - HN    MET   96   7.41 +/- 0.52   7.495% *  1.0549% (0.85   0.02   0.02) =   0.469%
          QG2   VAL   41 - HN    MET   96   7.11 +/- 0.76  11.514% *  0.3270% (0.26   0.02   0.02) =   0.223%
          QD2   LEU  115 - HN    MET   96  10.76 +/- 1.91   1.305% *  2.7185% (0.54   0.08   0.02) =   0.210%
          QD2   LEU   80 - HN    MET   96   9.61 +/- 0.64   1.480% *  0.6189% (0.50   0.02   0.02) =   0.054%
          QD1   LEU  104 - HN    MET   96   9.09 +/- 1.00   2.344% *  0.3631% (0.29   0.02   0.02) =   0.050%
          QD1   LEU   80 - HN    MET   96  11.24 +/- 0.97   0.629% *  0.1815% (0.15   0.02   0.02) =   0.007%
    Distance limit 4.49 A violated in 18 structures by 1.58 A, eliminated.
    Peak unassigned.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.722, support = 0.749, residual support = 2.24:
          QD1   ILE   89 - HN    MET   96   5.39 +/- 0.64  85.734% * 97.8754% (0.72   0.75   2.25) =  99.822%  kept
          QG2   VAL   83 - HN    MET   96   8.46 +/- 0.89   6.967% *  1.6624% (0.46   0.02   0.02) =   0.138%
          QD2   LEU   31 - HN    MET   96   8.54 +/- 0.63   7.300% *  0.4622% (0.13   0.02   0.02) =   0.040%
    Distance limit 4.34 A violated in 11 structures by 1.04 A, kept.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.86, residual support = 73.5:
      O   HB2   PHE   95 - HN    PHE   95   2.51 +/- 0.25 100.000% *100.0000% (0.87  10.0   3.86  73.51) = 100.000%  kept
    Distance limit 3.92 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   3.36 +/- 0.41  99.962% * 99.8580% (0.98  10.0   4.19  73.51) = 100.000%  kept
          HG2   GLN  116 - HN    PHE   95  13.28 +/- 1.11   0.037% *  0.0964% (0.95   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    PHE   95  21.54 +/- 1.02   0.002% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 3.24, residual support = 45.5:
          HB    VAL  107 - HN    PHE   95   3.82 +/- 0.44  97.619% * 98.3851% (0.99   3.24  45.47) =  99.990%  kept
          HB3   PHE   45 - HN    PHE   95   7.47 +/- 0.36   2.221% *  0.4211% (0.69   0.02   1.89) =   0.010%
          QE    LYS+ 112 - HN    PHE   95  12.43 +/- 1.45   0.133% *  0.4211% (0.69   0.02   0.02) =   0.001%
          QG    GLU-  79 - HN    PHE   95  16.31 +/- 0.78   0.018% *  0.2301% (0.38   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   95  20.08 +/- 0.83   0.006% *  0.4211% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   95  22.11 +/- 0.93   0.003% *  0.1213% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 730 (1.18, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.828, support = 4.14, residual support = 16.2:
          QG2   THR   94 - HN    PHE   95   2.76 +/- 0.32  79.746% * 79.1609% (0.87   4.12  14.33) =  94.070%  kept
          QG2   VAL  107 - HN    PHE   95   3.72 +/- 0.61  20.122% * 19.7756% (0.20   4.51  45.47) =   5.930%  kept
          HG13  ILE  103 - HN    PHE   95   8.89 +/- 0.71   0.112% *  0.2686% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HN    PHE   95  13.70 +/- 0.86   0.006% *  0.3972% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    PHE   95  14.50 +/- 1.67   0.007% *  0.1821% (0.41   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HN    PHE   95  14.41 +/- 1.33   0.006% *  0.2156% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.51 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   2.76 +/- 0.24  99.803% * 98.9931% (0.65  10.0   3.08  25.25) = 100.000%  kept
          HD2   PRO   52 - HN    THR   94   9.11 +/- 0.68   0.094% *  0.0522% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    THR   94  11.08 +/- 0.55   0.028% *  0.1169% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    THR   94  12.57 +/- 0.64   0.013% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR   94  12.59 +/- 0.59   0.013% *  0.0745% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    THR   94  11.15 +/- 0.80   0.025% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    THR   94  12.91 +/- 1.12   0.016% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    THR   94  17.11 +/- 0.86   0.002% *  0.1413% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    THR   94  17.42 +/- 0.64   0.002% *  0.1448% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  17.68 +/- 1.26   0.002% *  0.0866% (0.57   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    THR   94  19.71 +/- 0.98   0.001% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  22.23 +/- 0.59   0.000% *  0.0303% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 27.1:
          HB2   PHE   45 - HN    THR   94   3.03 +/- 0.40  99.939% * 98.8926% (0.95   2.96  27.13) = 100.000%  kept
          QE    LYS+ 111 - HN    THR   94  11.48 +/- 0.72   0.049% *  0.7071% (1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    THR   94  14.05 +/- 0.66   0.012% *  0.4003% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.552, support = 1.49, residual support = 26.1:
          HB3   PHE   45 - HN    THR   94   4.52 +/- 0.36  86.776% * 72.7978% (0.57   1.50  27.13) =  96.241%  kept
          HB    VAL  107 - HN    THR   94   6.76 +/- 0.77  11.722% * 20.9467% (0.20   1.23   0.02) =   3.741%  kept
          HG3   MET   96 - HN    THR   94   9.94 +/- 0.64   0.883% *  0.4767% (0.28   0.02   1.80) =   0.006%
          QE    LYS+ 112 - HN    THR   94  12.25 +/- 1.64   0.297% *  0.9706% (0.57   0.02   0.02) =   0.004%
          HB3   ASP-  86 - HN    THR   94  13.31 +/- 0.61   0.140% *  1.6993% (0.99   0.02   0.02) =   0.004%
          HB3   ASP-  62 - HN    THR   94  13.22 +/- 1.10   0.174% *  1.1777% (0.69   0.02   0.02) =   0.003%
          HG2   GLU-  29 - HN    THR   94  22.04 +/- 0.96   0.007% *  1.6993% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    THR   94  26.62 +/- 1.52   0.002% *  0.2320% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.08 A, kept.
 
    Peak 734 (2.06, 8.03, 115.19 ppm):
    11 chemical-shift based assignments, quality = 0.98, support = 4.39, residual support = 15.6:
      O   HB2   PRO   93 - HN    THR   94   3.80 +/- 0.20  94.416% * 99.5171% (0.98  10.0   4.39  15.60) =  99.996%  kept
          HB    VAL  108 - HN    THR   94   6.86 +/- 1.13   4.328% *  0.0697% (0.69   1.0   0.02   0.02) =   0.003%
          HG3   PRO   52 - HN    THR   94   8.58 +/- 1.29   1.036% *  0.0417% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   94  12.78 +/- 0.91   0.073% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    THR   94  12.80 +/- 0.84   0.072% *  0.0417% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   94  13.73 +/- 0.69   0.048% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    THR   94  16.51 +/- 0.44   0.015% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  18.13 +/- 0.60   0.008% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  22.81 +/- 1.49   0.002% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  22.44 +/- 0.40   0.002% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  32.64 +/- 1.80   0.000% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 0.894, support = 2.73, residual support = 15.5:
      O   HB3   PRO   93 - HN    THR   94   3.81 +/- 0.26  86.268% * 94.6103% (0.90  10.0   2.73  15.60) =  99.352%  kept
          HB3   ASP-  44 - HN    THR   94   5.52 +/- 0.63  11.648% *  4.5598% (0.49   1.0   1.78   0.02) =   0.647%  kept
          QB    ALA   84 - HN    THR   94   8.02 +/- 0.60   1.107% *  0.0915% (0.87   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    THR   94  11.12 +/- 0.64   0.178% *  0.0915% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   94  10.60 +/- 1.23   0.308% *  0.0396% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    THR   94  11.54 +/- 0.69   0.129% *  0.0682% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    THR   94  12.31 +/- 0.39   0.083% *  0.0597% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    THR   94  13.00 +/- 0.84   0.060% *  0.0806% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    THR   94  13.91 +/- 1.22   0.049% *  0.0806% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    THR   94  11.43 +/- 0.93   0.134% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    THR   94  16.62 +/- 1.21   0.015% *  0.0597% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    THR   94  20.29 +/- 1.31   0.005% *  0.0725% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    THR   94  19.97 +/- 1.00   0.005% *  0.0682% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    THR   94  21.64 +/- 0.82   0.003% *  0.0513% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  18.38 +/- 0.66   0.007% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  24.22 +/- 1.24   0.002% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 736 (1.21, 8.03, 115.19 ppm):
    7 chemical-shift based assignments, quality = 0.347, support = 3.48, residual support = 25.0:
          QG2   THR   94 - HN    THR   94   3.87 +/- 0.12  96.869% * 65.5709% (0.34   3.52  25.25) =  98.638%  kept
          HG12  ILE   89 - HN    THR   94   7.42 +/- 0.87   2.791% * 31.3397% (0.76   0.75   5.50) =   1.358%  kept
          HG3   LYS+ 111 - HN    THR   94  11.12 +/- 0.99   0.197% *  0.9134% (0.84   0.02   0.02) =   0.003%
          HD2   LYS+ 112 - HN    THR   94  14.32 +/- 1.36   0.048% *  0.7941% (0.73   0.02   0.02) =   0.001%
          HB3   LEU   71 - HN    THR   94  15.74 +/- 1.40   0.028% *  0.8756% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HN    THR   94  14.01 +/- 1.11   0.053% *  0.3375% (0.31   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    THR   94  17.22 +/- 1.00   0.014% *  0.1687% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 0.897, support = 0.75, residual support = 5.5:
          QG2   ILE   89 - HN    THR   94   4.28 +/- 0.60  99.666% * 99.1801% (0.90   0.75   5.50) =  99.997%  kept
          QG1   VAL   83 - HN    THR   94  11.67 +/- 0.76   0.334% *  0.8199% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.43 A violated in 0 structures by 0.17 A, kept.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.154, support = 3.66, residual support = 60.6:
          HG3   MET   92 - HN    MET   92   3.62 +/- 0.46  97.291% * 45.6583% (0.14   3.74  62.19) =  97.425%  kept
          QG    GLN   90 - HN    MET   92   7.01 +/- 0.48   2.620% * 44.7563% (0.87   0.57   0.02) =   2.572%  kept
          HB2   ASP-  44 - HN    MET   92  12.96 +/- 0.58   0.062% *  1.7666% (0.98   0.02   0.02) =   0.002%
          HG12  ILE  119 - HN    MET   92  16.36 +/- 0.93   0.017% *  0.9482% (0.53   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    MET   92  18.76 +/- 1.18   0.007% *  1.6637% (0.92   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   92  24.27 +/- 1.30   0.002% *  1.8023% (1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    MET   92  25.70 +/- 1.45   0.001% *  1.7393% (0.97   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    MET   92  25.39 +/- 0.79   0.001% *  0.3567% (0.20   0.02   0.02) =   0.000%
          QB    MET   11 - HN    MET   92  34.32 +/- 1.69   0.000% *  1.3087% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.998, support = 3.65, residual support = 62.2:
      O   HB2   MET   92 - HN    MET   92   2.96 +/- 0.54  98.709% * 99.5386% (1.00  10.0   3.65  62.19) = 100.000%  kept
          HB3   GLN   90 - HN    MET   92   6.63 +/- 0.50   1.101% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    MET   92  10.06 +/- 1.64   0.109% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    MET   92  11.66 +/- 1.03   0.048% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    MET   92  12.08 +/- 0.52   0.028% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   92  17.27 +/- 1.03   0.004% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   92  22.08 +/- 0.71   0.001% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  31.10 +/- 0.51   0.000% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  24.84 +/- 0.67   0.000% *  0.0135% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  28.47 +/- 1.28   0.000% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  38.58 +/- 1.92   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 4.0, residual support = 62.2:
      O   HB3   MET   92 - HN    MET   92   3.77 +/- 0.33  93.074% * 99.1115% (0.57  10.0   4.00  62.19) =  99.997%  kept
          HG3   PRO   93 - HN    MET   92   6.09 +/- 0.71   5.539% *  0.0346% (0.20   1.0   0.02   1.71) =   0.002%
          QG1   ILE   56 - HN    MET   92   9.83 +/- 0.90   0.388% *  0.1338% (0.76   1.0   0.02   0.02) =   0.001%
          HB    ILE   89 - HN    MET   92   8.41 +/- 0.72   0.826% *  0.0437% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    MET   92  12.49 +/- 1.84   0.113% *  0.0785% (0.45   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    MET   92  13.52 +/- 0.66   0.047% *  0.1570% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    MET   92  17.60 +/- 1.03   0.010% *  0.1271% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    MET   92  23.66 +/- 0.61   0.002% *  0.1616% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    MET   92  24.70 +/- 0.58   0.001% *  0.1132% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    MET   92  24.29 +/- 1.11   0.001% *  0.0390% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 741 (1.25, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 8.97:
          QB    ALA   91 - HN    MET   92   3.16 +/- 0.23  99.393% * 96.1653% (1.00   3.04   8.97) =  99.997%  kept
          QG2   ILE   56 - HN    MET   92   8.06 +/- 1.41   0.577% *  0.4358% (0.69   0.02   0.02) =   0.003%
          HG2   LYS+  74 - HN    MET   92  13.28 +/- 0.95   0.021% *  0.4104% (0.65   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    MET   92  16.95 +/- 0.93   0.005% *  0.1255% (0.20   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    MET   92  22.40 +/- 0.69   0.001% *  0.6330% (1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    MET   92  22.45 +/- 0.64   0.001% *  0.5503% (0.87   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    MET   92  20.87 +/- 0.46   0.001% *  0.3088% (0.49   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    MET   92  23.91 +/- 0.91   0.001% *  0.3848% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    MET   92  26.42 +/- 0.66   0.000% *  0.4358% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    MET   92  31.83 +/- 1.14   0.000% *  0.5503% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 7.77:
          HA    ILE   89 - HN    ALA   91   3.42 +/- 0.49  99.685% * 96.1995% (0.61   2.49   7.77) =  99.999%  kept
          HB    THR  118 - HN    ALA   91  15.39 +/- 1.47   0.027% *  1.2057% (0.95   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ALA   91  13.85 +/- 0.97   0.027% *  0.2232% (0.18   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    TRP   27  11.00 +/- 1.35   0.196% *  0.0276% (0.02   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    TRP   27  15.07 +/- 0.78   0.018% *  0.0955% (0.07   0.02   0.02) =   0.000%
          HB    THR   39 - HN    TRP   27  14.38 +/- 0.50   0.023% *  0.0706% (0.06   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    TRP   27  15.84 +/- 0.62   0.013% *  0.0955% (0.07   0.02   0.02) =   0.000%
          QB    SER   13 - HN    TRP   27  17.69 +/- 1.22   0.008% *  0.0647% (0.05   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ALA   91  25.20 +/- 0.89   0.001% *  0.5714% (0.45   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ALA   91  28.06 +/- 0.81   0.000% *  0.7731% (0.61   0.02   0.02) =   0.000%
          HB    THR  118 - HN    TRP   27  22.59 +/- 0.72   0.002% *  0.1490% (0.12   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ALA   91  28.49 +/- 0.96   0.000% *  0.5240% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.04 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.721, support = 4.96, residual support = 31.9:
          HB2   GLN   90 - HN    ALA   91   4.00 +/- 0.34  68.604% * 95.7354% (0.73   4.97  32.19) =  99.219%  kept
          HB2   GLU-  25 - HN    TRP   27   4.89 +/- 0.11  21.044% *  2.4327% (0.02   3.75   0.53) =   0.773%  kept
          HG3   GLU-  29 - HN    TRP   27   6.38 +/- 0.63   5.640% *  0.0588% (0.11   0.02   0.02) =   0.005%
          HB3   GLU-  29 - HN    TRP   27   6.59 +/- 0.57   4.116% *  0.0345% (0.07   0.02   0.02) =   0.002%
          HB3   GLU-  79 - HN    TRP   27   9.49 +/- 0.90   0.484% *  0.0130% (0.02   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   91  14.36 +/- 1.19   0.037% *  0.1050% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.32 +/- 0.32   0.052% *  0.0164% (0.03   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   91  24.08 +/- 1.19   0.002% *  0.4760% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  18.41 +/- 1.52   0.008% *  0.0476% (0.09   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ALA   91  24.32 +/- 0.76   0.001% *  0.2792% (0.53   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ALA   91  21.03 +/- 1.22   0.004% *  0.1050% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    TRP   27  19.09 +/- 0.42   0.006% *  0.0620% (0.12   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   91  29.88 +/- 0.60   0.000% *  0.5020% (0.95   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    ALA   91  26.53 +/- 0.66   0.001% *  0.1323% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 4.97, residual support = 32.2:
          HB3   GLN   90 - HN    ALA   91   3.22 +/- 0.45  86.617% * 96.1757% (0.99   4.97  32.19) =  99.993%  kept
          HB2   MET   92 - HN    ALA   91   5.72 +/- 0.96   5.757% *  0.0603% (0.15   0.02   8.97) =   0.004%
          HB3   GLN   30 - HN    TRP   27   5.39 +/- 0.73   6.765% *  0.0120% (0.03   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ALA   91   9.90 +/- 1.22   0.187% *  0.3770% (0.97   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    ALA   91  10.24 +/- 1.07   0.101% *  0.3695% (0.95   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ALA   91   9.37 +/- 1.21   0.276% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   91  12.41 +/- 1.56   0.039% *  0.2211% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    TRP   27   9.51 +/- 0.52   0.173% *  0.0483% (0.12   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   91  15.10 +/- 1.08   0.013% *  0.3770% (0.97   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   91  17.21 +/- 1.24   0.005% *  0.3829% (0.98   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   91  17.02 +/- 1.26   0.005% *  0.3695% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    TRP   27  12.26 +/- 0.49   0.035% *  0.0466% (0.12   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    TRP   27  16.11 +/- 0.63   0.007% *  0.0457% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA   91  23.11 +/- 0.57   0.001% *  0.3906% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  18.31 +/- 1.83   0.005% *  0.0478% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   91  20.14 +/- 0.77   0.002% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    TRP   27  18.37 +/- 0.84   0.003% *  0.0457% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   91  26.81 +/- 1.67   0.000% *  0.3606% (0.92   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    TRP   27  20.48 +/- 0.91   0.002% *  0.0473% (0.12   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA   91  24.24 +/- 1.24   0.001% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  19.24 +/- 0.47   0.002% *  0.0198% (0.05   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    TRP   27  22.51 +/- 0.91   0.001% *  0.0446% (0.11   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  28.97 +/- 0.64   0.000% *  0.1606% (0.41   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  24.13 +/- 1.74   0.001% *  0.0466% (0.12   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  22.35 +/- 1.17   0.001% *  0.0273% (0.07   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  20.63 +/- 1.33   0.002% *  0.0074% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  23.81 +/- 0.80   0.001% *  0.0120% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  28.11 +/- 1.49   0.000% *  0.0120% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.03 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.08, residual support = 12.9:
      O   QB    ALA   91 - HN    ALA   91   2.34 +/- 0.20  95.903% * 99.2924% (0.92  10.0   3.08  12.88) = 100.000%  kept
          QG2   THR   23 - HN    TRP   27   4.49 +/- 0.87   4.012% *  0.0055% (0.05   1.0   0.02   1.11) =   0.000%
          QG2   ILE   56 - HN    ALA   91   9.88 +/- 1.37   0.023% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   9.57 +/- 0.37   0.024% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  13.48 +/- 1.01   0.004% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27  11.13 +/- 0.30   0.009% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  15.63 +/- 1.07   0.002% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  12.86 +/- 1.13   0.005% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  11.15 +/- 0.49   0.009% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  12.70 +/- 2.16   0.007% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  19.03 +/- 0.48   0.000% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  21.17 +/- 0.73   0.000% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  21.92 +/- 0.78   0.000% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  17.38 +/- 1.85   0.001% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  17.07 +/- 0.41   0.001% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  22.70 +/- 0.83   0.000% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  19.31 +/- 0.63   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  24.46 +/- 0.91   0.000% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  29.53 +/- 1.30   0.000% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  19.72 +/- 1.19   0.000% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.16, residual support = 160.0:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.00  99.986% * 99.2019% (0.18  10.0   5.16 159.98) = 100.000%  kept
          HA    LEU   71 - HN    LYS+ 102  14.28 +/- 2.13   0.013% *  0.2329% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LYS+ 102  21.22 +/- 1.91   0.001% *  0.5652% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 3.13, residual support = 12.5:
      O   HA1   GLY  101 - HN    LYS+ 102   3.29 +/- 0.18  99.887% * 99.3899% (0.61  10.0   3.13  12.52) = 100.000%  kept
          HA    ALA   34 - HN    LYS+ 102  11.33 +/- 1.79   0.085% *  0.0674% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+ 102  14.58 +/- 2.07   0.017% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+ 102  19.80 +/- 2.19   0.002% *  0.1624% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+ 102  19.76 +/- 1.20   0.002% *  0.1252% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  19.01 +/- 1.31   0.003% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+ 102  20.66 +/- 1.90   0.002% *  0.0506% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  24.72 +/- 1.29   0.001% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    LYS+ 102  20.32 +/- 2.08   0.002% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 750 (3.54, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 3.13, residual support = 12.5:
      O   HA2   GLY  101 - HN    LYS+ 102   2.96 +/- 0.63  99.991% * 99.6785% (0.28  10.0   3.13  12.52) = 100.000%  kept
          HB2   TRP   27 - HN    LYS+ 102  17.30 +/- 2.11   0.008% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    LYS+ 102  22.64 +/- 0.58   0.001% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 751 (2.01, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.787, support = 0.02, residual support = 0.02:
          QB    GLU- 114 - HN    LYS+ 102  17.51 +/- 1.26  18.003% * 12.0512% (0.84   0.02   0.02) =  21.409%  kept
          QB    GLU-  15 - HN    LYS+ 102  17.61 +/- 1.32  15.691% * 13.6482% (0.95   0.02   0.02) =  21.133%  kept
          HB    ILE   19 - HN    LYS+ 102  17.81 +/- 1.93  14.658% * 11.0262% (0.76   0.02   0.02) =  15.949%  kept
          HG2   PRO   68 - HN    LYS+ 102  18.55 +/- 2.48  12.901% *  9.9106% (0.69   0.02   0.02) =  12.616%  kept
          HB3   PRO   68 - HN    LYS+ 102  19.32 +/- 1.94   9.015% *  8.7509% (0.61   0.02   0.02) =   7.785%  kept
          HG3   GLN   30 - HN    LYS+ 102  17.13 +/- 2.10  19.079% *  3.5976% (0.25   0.02   0.02) =   6.773%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  22.46 +/- 1.81   4.082% * 12.9393% (0.90   0.02   0.02) =   5.212%  kept
          HB3   GLU-  25 - HN    LYS+ 102  22.50 +/- 2.13   3.552% * 14.4279% (1.00   0.02   0.02) =   5.058%  kept
          HB2   GLN   17 - HN    LYS+ 102  23.05 +/- 1.56   3.019% * 13.6482% (0.95   0.02   0.02) =   4.066%  kept
    Distance limit 4.35 A violated in 20 structures by 8.42 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 4.65, residual support = 160.0:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.58 +/- 0.06  98.818% * 99.4444% (0.98  10.0   4.65 159.98) =  99.999%  kept
          HG12  ILE  103 - HN    LYS+ 102   6.11 +/- 0.56   0.674% *  0.0455% (0.45   1.0   0.02  22.37) =   0.000%
          HB    VAL   41 - HN    LYS+ 102   7.89 +/- 2.03   0.491% *  0.0615% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+ 102  12.23 +/- 1.87   0.014% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LYS+ 102  17.30 +/- 1.10   0.001% *  0.0812% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LYS+ 102  20.31 +/- 0.95   0.000% *  0.0937% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  21.96 +/- 0.76   0.000% *  0.0994% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  20.72 +/- 1.50   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  23.00 +/- 1.67   0.000% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  27.30 +/- 0.93   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.42, 7.76, 120.90 ppm):
    12 chemical-shift based assignments, quality = 0.278, support = 3.84, residual support = 113.2:
          HG2   LYS+ 102 - HN    LYS+ 102   3.59 +/- 0.44  56.947% * 59.6204% (0.28   4.42 159.98) =  70.420%  kept
          QB    LEU   98 - HN    LYS+ 102   3.90 +/- 0.86  42.974% * 33.1865% (0.28   2.46   1.85) =  29.580%  kept
          HD3   LYS+ 121 - HN    LYS+ 102  13.39 +/- 1.86   0.041% *  0.5498% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+ 102  15.61 +/- 2.15   0.009% *  0.7421% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+ 102  14.60 +/- 1.95   0.014% *  0.3644% (0.38   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+ 102  18.97 +/- 2.46   0.003% *  0.9689% (1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+ 102  19.96 +/- 0.88   0.002% *  0.9689% (1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+ 102  18.61 +/- 1.19   0.003% *  0.5498% (0.57   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+ 102  19.82 +/- 1.04   0.002% *  0.8709% (0.90   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+ 102  21.14 +/- 1.76   0.001% *  0.9624% (0.99   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 102  20.48 +/- 1.65   0.002% *  0.7051% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 102  20.96 +/- 1.82   0.001% *  0.5109% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.03 A, kept.
 
    Peak 754 (0.74, 7.76, 120.90 ppm):
    7 chemical-shift based assignments, quality = 0.571, support = 1.35, residual support = 0.904:
          QD2   LEU  104 - HN    LYS+ 102   4.17 +/- 0.66  60.426% * 25.5908% (0.95   0.19   0.02) =  51.212%  kept
          QD1   LEU   98 - HN    LYS+ 102   5.27 +/- 1.02  22.582% * 64.4859% (0.18   2.59   1.85) =  48.226%  kept
          QG1   VAL   41 - HN    LYS+ 102   6.44 +/- 1.74  16.078% *  0.9680% (0.34   0.02   0.02) =   0.515%  kept
          QG1   VAL   43 - HN    LYS+ 102   9.14 +/- 1.45   0.869% *  1.4931% (0.53   0.02   0.02) =   0.043%
          QD1   ILE   19 - HN    LYS+ 102  16.21 +/- 2.04   0.024% *  2.8317% (1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - HN    LYS+ 102  16.98 +/- 1.23   0.015% *  2.1688% (0.76   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    LYS+ 102  19.35 +/- 1.27   0.006% *  2.4617% (0.87   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.02 A, kept.
 
    Peak 755 (3.88, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.35, residual support = 40.2:
      O   HA    ILE   89 - HN    GLN   90   2.66 +/- 0.41  99.970% * 99.5753% (0.61  10.0   6.35  40.21) = 100.000%  kept
          HB3   SER   82 - HN    GLN   90  12.00 +/- 1.05   0.026% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLN   90  15.82 +/- 1.06   0.003% *  0.1553% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  23.66 +/- 0.93   0.000% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  26.37 +/- 0.98   0.000% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  27.14 +/- 1.28   0.000% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.10 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.68, residual support = 90.1:
          QG    GLN   90 - HN    GLN   90   2.75 +/- 0.64  99.686% * 97.8107% (0.90   5.68  90.06) =  99.999%  kept
          HG3   MET   92 - HN    GLN   90   8.83 +/- 0.56   0.252% *  0.2328% (0.61   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    GLN   90  11.55 +/- 1.22   0.048% *  0.2787% (0.73   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLN   90  17.18 +/- 0.97   0.004% *  0.3805% (0.99   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLN   90  17.34 +/- 1.12   0.003% *  0.3206% (0.84   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLN   90  16.08 +/- 0.97   0.004% *  0.0957% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLN   90  21.15 +/- 1.45   0.001% *  0.2787% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    GLN   90  22.68 +/- 1.40   0.001% *  0.2328% (0.61   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLN   90  24.01 +/- 2.03   0.001% *  0.2934% (0.76   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLN   90  32.47 +/- 1.69   0.000% *  0.0760% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 758 (1.87, 8.62, 127.39 ppm):
    13 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 90.1:
      O   HB3   GLN   90 - HN    GLN   90   3.50 +/- 0.22  97.250% * 99.1031% (0.92  10.0   5.59  90.06) =  99.998%  kept
          QB    LYS+  81 - HN    GLN   90   8.54 +/- 1.35   0.832% *  0.1036% (0.97   1.0   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    GLN   90   7.45 +/- 0.95   1.623% *  0.0403% (0.38   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    GLN   90  10.15 +/- 1.02   0.201% *  0.1052% (0.98   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   90  13.21 +/- 1.72   0.047% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   90  15.74 +/- 1.67   0.016% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   90  16.30 +/- 1.40   0.011% *  0.0737% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   90  17.03 +/- 0.99   0.008% *  0.0820% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  18.17 +/- 1.10   0.006% *  0.0565% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    GLN   90  21.41 +/- 0.80   0.002% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  19.95 +/- 1.20   0.003% *  0.0239% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   90  26.09 +/- 1.84   0.001% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  27.54 +/- 0.57   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.10 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 7.2, residual support = 40.2:
          QG2   ILE   89 - HN    GLN   90   2.09 +/- 0.55 100.000% *100.0000% (0.65   7.20  40.21) = 100.000%  kept
    Distance limit 3.78 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 = 5.79, residual support = 40.2:
          QD1   ILE   89 - HN    GLN   90   4.02 +/- 0.34  95.563% * 99.5391% (0.49   5.79  40.21) =  99.992%  kept
          QG2   VAL   83 - HN    GLN   90   7.74 +/- 0.96   2.901% *  0.1760% (0.25   0.02   0.02) =   0.005%
          QG2   VAL   75 - HN    GLN   90   8.56 +/- 1.25   1.471% *  0.1760% (0.25   0.02   0.02) =   0.003%
          QG2   VAL   42 - HN    GLN   90  13.83 +/- 0.43   0.064% *  0.1089% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.06 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 4.12, residual support = 7.09:
      O   HA    ALA   88 - HN    ILE   89   3.07 +/- 0.27  96.689% * 99.4024% (0.99  10.0   4.12   7.09) =  99.999%  kept
          QB    SER   85 - HN    ILE   89   5.49 +/- 0.63   3.211% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ILE   89  10.41 +/- 0.70   0.065% *  0.0649% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   89  14.53 +/- 1.48   0.013% *  0.0968% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ILE   89  14.02 +/- 1.11   0.013% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  18.63 +/- 0.60   0.002% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ILE   89  20.83 +/- 0.64   0.001% *  0.0983% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  19.57 +/- 0.61   0.002% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  23.52 +/- 0.62   0.001% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  20.73 +/- 0.84   0.001% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  21.31 +/- 0.77   0.001% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  24.28 +/- 0.67   0.000% *  0.0279% (0.28   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  25.81 +/- 0.84   0.000% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.05 A, kept.
 
    Peak 762 (3.89, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.98, residual support = 215.2:
      O   HA    ILE   89 - HN    ILE   89   2.73 +/- 0.16  99.995% * 99.5011% (0.34  10.0   5.98 215.25) = 100.000%  kept
          HB    THR  118 - HN    ILE   89  16.67 +/- 0.57   0.002% *  0.2118% (0.73   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    ILE   89  16.50 +/- 0.76   0.002% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  22.33 +/- 0.73   0.000% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  24.80 +/- 0.75   0.000% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  27.17 +/- 1.07   0.000% *  0.0577% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (1.75, 7.91, 118.70 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.55, residual support = 215.2:
      O   HB    ILE   89 - HN    ILE   89   2.64 +/- 0.33  99.908% * 99.6919% (0.45  10.0   5.55 215.25) = 100.000%  kept
          HB    VAL   43 - HN    ILE   89   9.60 +/- 0.56   0.052% *  0.1170% (0.53   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ILE   89  10.27 +/- 1.01   0.040% *  0.0997% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ILE   89  19.82 +/- 0.99   0.001% *  0.0914% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.03 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.74, residual support = 215.2:
          HG12  ILE   89 - HN    ILE   89   2.02 +/- 0.44  99.786% * 97.9065% (0.76   5.74 215.25) = 100.000%  kept
          QB    ALA   91 - HN    ILE   89   6.47 +/- 0.92   0.210% *  0.1379% (0.31   0.02   7.77) =   0.000%
          HG2   LYS+  74 - HN    ILE   89  13.59 +/- 0.76   0.003% *  0.3875% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   89  15.65 +/- 1.33   0.001% *  0.3069% (0.69   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   89  20.40 +/- 0.83   0.000% *  0.4007% (0.90   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   89  19.07 +/- 0.92   0.001% *  0.1379% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   89  21.80 +/- 0.98   0.000% *  0.3732% (0.84   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   89  20.49 +/- 0.66   0.000% *  0.2890% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   89  25.91 +/- 1.54   0.000% *  0.0605% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.32, residual support = 215.2:
          QG2   ILE   89 - HN    ILE   89   3.70 +/- 0.07  98.787% * 99.7852% (1.00   6.32 215.25) =  99.998%  kept
          QG1   VAL   83 - HN    ILE   89   7.76 +/- 0.39   1.196% *  0.1661% (0.53   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    ILE   89  16.08 +/- 1.23   0.017% *  0.0487% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 5.5, residual support = 215.2:
          HG13  ILE   89 - HN    ILE   89   3.21 +/- 0.55 100.000% *100.0000% (0.90   5.50 215.25) = 100.000%  kept
    Distance limit 3.71 A violated in 0 structures by 0.06 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 11.2:
      O   HA    ALA   88 - HN    ALA   88   2.22 +/- 0.02  99.985% * 99.0917% (0.84  10.0   1.63  11.17) = 100.000%  kept
          HB2   SER   82 - HN    ALA   88   9.96 +/- 0.37   0.013% *  0.1303% (0.90   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   88  16.82 +/- 1.48   0.001% *  0.1425% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   88  16.53 +/- 1.21   0.001% *  0.0882% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  19.30 +/- 0.67   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  20.31 +/- 0.58   0.000% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  20.33 +/- 0.87   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  23.44 +/- 0.85   0.000% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  22.27 +/- 0.90   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  22.56 +/- 1.13   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 1.87, residual support = 11.2:
      O   QB    ALA   88 - HN    ALA   88   2.87 +/- 0.09  95.135% * 99.0613% (0.73  10.0   1.87  11.17) =  99.999%  kept
          QB    ALA   84 - HN    ALA   88   4.86 +/- 0.26   4.517% *  0.0225% (0.15   1.0   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    ALA   88   7.89 +/- 0.46   0.247% *  0.0497% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   88   9.50 +/- 0.27   0.076% *  0.1001% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   88  14.02 +/- 0.52   0.008% *  0.0653% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   88  16.31 +/- 0.82   0.003% *  0.1217% (0.84   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  13.57 +/- 1.16   0.010% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   88  17.33 +/- 1.66   0.002% *  0.1307% (0.90   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   88  21.69 +/- 0.89   0.001% *  0.1457% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  19.97 +/- 0.87   0.001% *  0.0825% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  25.32 +/- 1.18   0.000% *  0.1429% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  26.07 +/- 1.04   0.000% *  0.0450% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (3.42, 7.69, 117.92 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.84, residual support = 70.4:
      O   HB2   TRP   87 - HN    TRP   87   3.70 +/- 0.02  99.950% * 99.8429% (0.73  10.0   3.84  70.42) = 100.000%  kept
          HB    THR   46 - HN    TRP   87  13.74 +/- 0.54   0.040% *  0.0469% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   PHE   60 - HN    TRP   87  17.86 +/- 0.66   0.008% *  0.0889% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    TRP   87  22.65 +/- 1.36   0.002% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (2.93, 7.69, 117.92 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.95, residual support = 22.5:
          HB2   ASP-  86 - HN    TRP   87   2.60 +/- 0.16  99.985% * 97.4870% (0.80   3.95  22.51) = 100.000%  kept
          HB2   ASN   28 - HN    TRP   87  14.06 +/- 0.65   0.005% *  0.6168% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    TRP   87  14.55 +/- 0.38   0.004% *  0.3245% (0.53   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    TRP   87  13.44 +/- 0.27   0.006% *  0.0952% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    TRP   87  19.47 +/- 1.11   0.001% *  0.6046% (0.98   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    TRP   87  19.58 +/- 1.11   0.001% *  0.2766% (0.45   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    TRP   87  23.40 +/- 1.37   0.000% *  0.5953% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 3.71, residual support = 70.4:
      O   HB3   TRP   87 - HN    TRP   87   3.00 +/- 0.12  99.993% * 99.8532% (1.00  10.0   3.71  70.42) = 100.000%  kept
          HG2   GLU-  25 - HN    TRP   87  15.17 +/- 0.99   0.007% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  24.40 +/- 1.18   0.000% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 2.24, residual support = 5.15:
          QB    ALA   88 - HN    TRP   87   4.46 +/- 0.08  94.742% * 96.6904% (0.53   2.25   5.16) =  99.919%  kept
          QG2   THR   77 - HN    TRP   87   7.41 +/- 0.50   4.928% *  1.4675% (0.90   0.02   0.02) =   0.079%
          QG2   THR   23 - HN    TRP   87  12.35 +/- 0.72   0.228% *  0.8609% (0.53   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    TRP   87  14.42 +/- 0.69   0.087% *  0.3643% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    TRP   87  20.21 +/- 0.84   0.011% *  0.2525% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    TRP   87  23.52 +/- 1.10   0.005% *  0.3643% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.10 A, kept.
 
    Peak 774 (0.08, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.803, support = 2.06, residual support = 17.5:
          QD1   ILE   89 - HN    TRP   87   4.11 +/- 0.17  51.630% * 78.9524% (0.76   2.44  19.62) =  80.635%  kept
          QG2   VAL   83 - HN    TRP   87   4.16 +/- 0.22  48.190% * 20.3118% (0.97   0.50   8.84) =  19.363%  kept
          QD2   LEU   31 - HN    TRP   87  10.68 +/- 0.77   0.180% *  0.7358% (0.87   0.02   1.82) =   0.003%
    Distance limit 4.14 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 = 0.49, support = 0.974, residual support = 10.5:
          QG2   VAL   83 - HE1   TRP   87   2.01 +/- 0.97  94.550% * 24.4998% (0.45   0.86   8.84) =  84.916%  kept
          QD1   ILE   89 - HE1   TRP   87   4.46 +/- 0.74   5.450% * 75.5002% (0.73   1.63  19.62) =  15.084%  kept
    Distance limit 4.51 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 = 3.32, residual support = 13.3:
          QB    SER   85 - HN    ASP-  86   2.98 +/- 0.07  95.262% * 83.9922% (0.76   3.33  13.43) =  99.373%  kept
          HA    ALA   88 - HN    ASP-  86   5.10 +/- 0.11   3.889% * 12.9656% (0.69   0.57   0.02) =   0.626%  kept
          HB2   SER   82 - HN    ASP-  86   6.78 +/- 0.40   0.755% *  0.1018% (0.15   0.02   0.02) =   0.001%
          HB    THR   94 - HN    ASP-  86   9.87 +/- 0.48   0.077% *  0.1018% (0.15   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ASP-  86  14.47 +/- 1.47   0.009% *  0.1468% (0.22   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASP-  86  17.89 +/- 0.90   0.002% *  0.5914% (0.90   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASP-  86  16.64 +/- 1.34   0.004% *  0.2957% (0.45   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ASP-  86  18.41 +/- 0.95   0.002% *  0.4789% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ASP-  86  26.39 +/- 0.71   0.000% *  0.5508% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ASP-  86  27.06 +/- 0.88   0.000% *  0.5040% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ASP-  86  27.34 +/- 0.78   0.000% *  0.2711% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 10.7:
          HA    VAL   83 - HN    ASP-  86   3.00 +/- 0.13  99.992% * 95.3189% (0.61   2.25  10.73) = 100.000%  kept
          HB2   CYS   53 - HN    ASP-  86  18.41 +/- 1.49   0.002% *  1.3482% (0.97   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  86  17.67 +/- 0.79   0.003% *  0.8473% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  86  18.67 +/- 0.96   0.002% *  0.7350% (0.53   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  86  20.31 +/- 1.16   0.001% *  0.7909% (0.57   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    ASP-  86  23.85 +/- 0.94   0.000% *  0.9596% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 778 (2.93, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.06, residual support = 41.9:
      O   HB2   ASP-  86 - HN    ASP-  86   2.61 +/- 0.19  99.987% * 99.6258% (0.98  10.0   5.06  41.92) = 100.000%  kept
          HB2   ASN   28 - HN    ASP-  86  13.26 +/- 0.66   0.007% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASP-  86  13.91 +/- 0.27   0.005% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  19.71 +/- 1.29   0.001% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  20.02 +/- 1.21   0.001% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  86  24.81 +/- 1.47   0.000% *  0.0996% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 41.9:
      O   HB3   ASP-  86 - HN    ASP-  86   2.69 +/- 0.60  99.957% * 99.2823% (0.41  10.0   3.56  41.92) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  86  11.42 +/- 0.83   0.040% *  0.2394% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  86  17.21 +/- 0.75   0.003% *  0.0671% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  86  24.61 +/- 1.41   0.000% *  0.2095% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    ASP-  86  24.62 +/- 0.82   0.000% *  0.2017% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 780 (3.97, 8.05, 111.48 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.15, residual support = 18.2:
      O   QB    SER   85 - HN    SER   85   2.18 +/- 0.03  98.954% * 99.3113% (0.76  10.0   3.15  18.15) =  99.999%  kept
          HA    ALA   88 - HN    SER   85   4.98 +/- 0.22   0.725% *  0.0893% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    SER   85   5.76 +/- 0.20   0.303% *  0.0201% (0.15   1.0   0.02   2.96) =   0.000%
          HB    THR   94 - HN    SER   85   9.91 +/- 0.49   0.012% *  0.0201% (0.15   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER   85  12.74 +/- 1.69   0.004% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   85  14.94 +/- 1.59   0.001% *  0.0583% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  16.48 +/- 1.00   0.001% *  0.1165% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  20.26 +/- 0.89   0.000% *  0.0944% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  26.84 +/- 0.68   0.000% *  0.1085% (0.84   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  27.65 +/- 0.65   0.000% *  0.0993% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  28.19 +/- 0.70   0.000% *  0.0534% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (3.70, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.27, residual support = 20.7:
      O   HA    ALA   84 - HN    SER   85   3.60 +/- 0.02  99.860% * 99.3529% (0.49  10.0   3.27  20.74) = 100.000%  kept
          HA    VAL   75 - HN    SER   85  11.19 +/- 0.43   0.114% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    SER   85  17.94 +/- 1.23   0.007% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    SER   85  16.00 +/- 1.09   0.014% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    SER   85  22.60 +/- 0.77   0.002% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    SER   85  23.88 +/- 0.88   0.001% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    SER   85  22.70 +/- 0.95   0.002% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 3.87, residual support = 20.7:
          QB    ALA   84 - HN    SER   85   2.72 +/- 0.09  99.485% * 95.9099% (1.00   3.87  20.74) =  99.999%  kept
          HB3   LEU   80 - HN    SER   85   6.63 +/- 0.27   0.493% *  0.2615% (0.53   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    SER   85  14.71 +/- 0.36   0.004% *  0.3798% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    SER   85  15.51 +/- 0.62   0.003% *  0.4970% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    SER   85  15.85 +/- 0.99   0.003% *  0.4796% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   85  14.98 +/- 0.91   0.004% *  0.1865% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   85  16.58 +/- 1.06   0.002% *  0.3015% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    SER   85  16.26 +/- 0.94   0.002% *  0.1865% (0.38   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   85  18.60 +/- 0.54   0.001% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    SER   85  21.42 +/- 0.90   0.000% *  0.3215% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   85  21.18 +/- 1.61   0.001% *  0.2043% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    SER   85  20.32 +/- 1.38   0.001% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   85  24.91 +/- 1.18   0.000% *  0.2419% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  22.45 +/- 1.73   0.000% *  0.1239% (0.25   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    SER   85  28.24 +/- 0.96   0.000% *  0.4457% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  26.77 +/- 1.37   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 3.94, residual support = 18.0:
      O   HA    ALA   84 - HN    ALA   84   2.75 +/- 0.02  99.877% * 99.3529% (0.49  10.0   3.94  18.03) = 100.000%  kept
          HA    VAL   75 - HN    ALA   84   8.57 +/- 0.47   0.117% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA   84  17.00 +/- 0.73   0.002% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA   84  16.30 +/- 1.03   0.003% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA   84  22.94 +/- 0.81   0.000% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  22.16 +/- 0.72   0.000% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  21.44 +/- 0.87   0.000% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (1.66, 7.58, 119.96 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.34, residual support = 42.2:
          HB    VAL   83 - HN    ALA   84   3.04 +/- 0.26  99.949% * 97.8550% (0.99   5.34  42.23) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   84  13.70 +/- 1.32   0.020% *  0.1519% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA   84  15.79 +/- 0.76   0.006% *  0.1944% (0.53   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA   84  13.58 +/- 0.84   0.015% *  0.0647% (0.18   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA   84  19.02 +/- 1.89   0.002% *  0.2683% (0.73   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    ALA   84  16.78 +/- 1.01   0.005% *  0.0647% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   84  23.51 +/- 1.04   0.001% *  0.3565% (0.97   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   84  23.88 +/- 0.92   0.001% *  0.3662% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   84  23.85 +/- 0.92   0.001% *  0.3495% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA   84  22.02 +/- 1.45   0.001% *  0.0921% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  21.91 +/- 1.42   0.001% *  0.0570% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ALA   84  28.83 +/- 1.00   0.000% *  0.1798% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.04 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.19, residual support = 18.0:
      O   QB    ALA   84 - HN    ALA   84   2.04 +/- 0.05  97.922% * 99.0428% (0.87  10.0   4.19  18.03) =  99.999%  kept
          HB3   LEU   80 - HN    ALA   84   3.95 +/- 0.27   2.071% *  0.0317% (0.28   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    ALA   84  12.77 +/- 0.91   0.002% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  13.00 +/- 0.44   0.001% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   84  14.63 +/- 0.66   0.001% *  0.1024% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  15.16 +/- 0.99   0.001% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  16.66 +/- 1.04   0.000% *  0.0990% (0.87   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  17.03 +/- 0.54   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  14.96 +/- 0.75   0.001% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  21.28 +/- 1.41   0.000% *  0.0784% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  20.65 +/- 1.69   0.000% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  19.92 +/- 0.96   0.000% *  0.0429% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  24.58 +/- 1.12   0.000% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  24.81 +/- 1.40   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  27.41 +/- 0.97   0.000% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  25.81 +/- 1.56   0.000% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 0.69, support = 5.92, residual support = 41.7:
          QG1   VAL   83 - HN    ALA   84   4.08 +/- 0.17  80.270% * 93.4808% (0.69   5.99  42.23) =  98.698%  kept
          QD2   LEU   80 - HN    ALA   84   5.26 +/- 0.40  19.412% *  5.0956% (0.95   0.24   0.02) =   1.301%  kept
          QD1   LEU   73 - HN    ALA   84  10.75 +/- 0.71   0.269% *  0.2755% (0.61   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ALA   84  15.74 +/- 1.32   0.028% *  0.2755% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   84  18.22 +/- 1.16   0.011% *  0.4532% (1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   84  18.82 +/- 1.62   0.010% *  0.4193% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.10 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.763, support = 6.33, residual support = 42.1:
          QG2   VAL   83 - HN    ALA   84   3.37 +/- 0.44  95.149% * 88.7376% (0.76   6.35  42.23) =  99.497%  kept
          QD1   ILE   89 - HN    ALA   84   6.07 +/- 0.45   3.937% * 10.8164% (0.49   1.22  13.77) =   0.502%  kept
          QG2   VAL   43 - HN    ALA   84   7.89 +/- 0.65   0.825% *  0.0814% (0.22   0.02   0.02) =   0.001%
          QD2   LEU   31 - HN    ALA   84  11.23 +/- 0.79   0.089% *  0.3646% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 20.3:
          HB2   SER   82 - HN    VAL   83   3.34 +/- 0.15  99.689% * 97.0136% (0.75   4.10  20.34) =  99.999%  kept
          HA    ALA   88 - HN    VAL   83   9.07 +/- 0.29   0.263% *  0.2677% (0.43   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    VAL   83  14.81 +/- 0.75   0.015% *  0.4635% (0.74   0.02   0.02) =   0.000%
          HA    SER   48 - HN    VAL   83  14.72 +/- 1.27   0.016% *  0.3786% (0.60   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    VAL   83  18.33 +/- 0.89   0.004% *  0.4687% (0.75   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   83  17.77 +/- 0.96   0.005% *  0.2488% (0.40   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   83  20.57 +/- 1.15   0.002% *  0.4241% (0.68   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   83  17.95 +/- 0.73   0.004% *  0.1613% (0.26   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    VAL   83  22.33 +/- 1.01   0.001% *  0.2868% (0.46   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   83  26.46 +/- 1.14   0.000% *  0.2868% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (3.82, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.458, support = 4.7, residual support = 87.1:
      O   HA    VAL   83 - HN    VAL   83   2.78 +/- 0.02  99.994% * 99.4506% (0.46  10.0   4.70  87.15) = 100.000%  kept
          HA    GLN   30 - HN    VAL   83  15.91 +/- 0.99   0.003% *  0.0995% (0.46   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    VAL   83  18.10 +/- 1.36   0.001% *  0.1582% (0.73   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    VAL   83  18.89 +/- 0.81   0.001% *  0.0863% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    VAL   83  21.58 +/- 1.23   0.000% *  0.0928% (0.43   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    VAL   83  23.94 +/- 0.99   0.000% *  0.1126% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (1.66, 6.59, 123.60 ppm):
    12 chemical-shift based assignments, quality = 0.748, support = 4.77, residual support = 87.1:
      O   HB    VAL   83 - HN    VAL   83   2.31 +/- 0.30  99.993% * 99.4176% (0.75  10.0   4.77  87.15) = 100.000%  kept
          HD2   LYS+  74 - HN    VAL   83  14.67 +/- 1.32   0.004% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  19.38 +/- 1.98   0.000% *  0.0728% (0.55   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  18.17 +/- 0.85   0.001% *  0.0528% (0.40   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  16.05 +/- 0.98   0.001% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  23.61 +/- 1.08   0.000% *  0.0994% (0.75   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    VAL   83  24.46 +/- 1.12   0.000% *  0.0968% (0.73   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  18.33 +/- 1.04   0.001% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  25.51 +/- 0.91   0.000% *  0.0949% (0.71   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  24.48 +/- 1.48   0.000% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  24.39 +/- 1.44   0.000% *  0.0155% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  30.44 +/- 1.07   0.000% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.02 A, kept.
 
    Peak 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.187, support = 0.0198, residual support = 0.0198:
          HB2   LEU   80 - HN    VAL   83   3.83 +/- 0.59  99.684% *  2.8578% (0.19   0.02   0.02) =  99.137%  kept
          HB3   LEU   73 - HN    VAL   83  12.95 +/- 1.22   0.132% *  9.9416% (0.65   0.02   0.02) =   0.458%
          HB3   LYS+  74 - HN    VAL   83  13.71 +/- 0.88   0.075% *  4.7118% (0.31   0.02   0.02) =   0.122%
          QB    LEU   98 - HN    VAL   83  15.24 +/- 1.09   0.042% *  7.8727% (0.52   0.02   0.02) =   0.114%
          HB    VAL   42 - HN    VAL   83  17.70 +/- 0.91   0.015% * 10.5799% (0.70   0.02   0.02) =   0.056%
          HG3   LYS+  33 - HN    VAL   83  19.78 +/- 2.06   0.009% * 11.0607% (0.73   0.02   0.02) =   0.036%
          HG3   LYS+ 106 - HN    VAL   83  18.26 +/- 1.15   0.013% *  7.4142% (0.49   0.02   0.02) =   0.033%
          HG3   LYS+ 102 - HN    VAL   83  21.65 +/- 1.51   0.004% *  9.5730% (0.63   0.02   0.02) =   0.013%
          HB3   PRO   93 - HN    VAL   83  16.91 +/- 0.74   0.020% *  1.7684% (0.12   0.02   0.02) =   0.012%
          QB    ALA   12 - HN    VAL   83  25.37 +/- 1.82   0.002% * 10.5799% (0.70   0.02   0.02) =   0.006%
          HG3   LYS+  65 - HN    VAL   83  25.91 +/- 1.36   0.002% * 10.5799% (0.70   0.02   0.02) =   0.006%
          HB2   LYS+ 112 - HN    VAL   83  26.97 +/- 1.05   0.001% *  8.7588% (0.58   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HN    VAL   83  24.88 +/- 1.70   0.002% *  4.3014% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.72 A violated in 3 structures by 0.31 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 = 5.34, residual support = 87.1:
          QG1   VAL   83 - HN    VAL   83   2.34 +/- 0.32  97.364% * 99.2346% (0.75   5.34  87.15) =  99.996%  kept
          QD2   LEU   80 - HN    VAL   83   4.72 +/- 0.42   2.519% *  0.1543% (0.31   0.02   0.02) =   0.004%
          QG2   ILE   89 - HN    VAL   83   7.50 +/- 0.48   0.116% *  0.2276% (0.46   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   83  18.94 +/- 1.27   0.000% *  0.2427% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   83  20.58 +/- 1.67   0.000% *  0.1408% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 5.25, residual support = 87.1:
          QG2   VAL   83 - HN    VAL   83   3.57 +/- 0.26  98.764% * 99.3933% (0.74   5.25  87.15) =  99.996%  kept
          QD1   ILE   89 - HN    VAL   83   7.86 +/- 0.57   1.065% *  0.3725% (0.73   0.02   0.02) =   0.004%
          QD2   LEU   31 - HN    VAL   83  10.80 +/- 1.16   0.171% *  0.2341% (0.46   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 4.04, residual support = 33.5:
      O   HB2   SER   82 - HN    SER   82   2.18 +/- 0.33  99.974% * 99.3063% (0.87  10.0   4.04  33.46) = 100.000%  kept
          HA    ALA   88 - HN    SER   82   9.89 +/- 0.31   0.018% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   82  14.01 +/- 1.50   0.006% *  0.0557% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    SER   82  16.68 +/- 0.92   0.001% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    SER   82  19.74 +/- 0.69   0.000% *  0.1057% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    SER   82  22.70 +/- 1.20   0.000% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  17.71 +/- 0.85   0.001% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  20.02 +/- 1.03   0.000% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  24.49 +/- 0.86   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  27.89 +/- 1.11   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  26.23 +/- 1.34   0.000% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (3.87, 8.64, 114.33 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 3.43, residual support = 33.5:
      O   HB3   SER   82 - HN    SER   82   2.97 +/- 0.17  99.952% * 99.2682% (0.69  10.0   3.43  33.46) = 100.000%  kept
          HA    ILE   89 - HN    SER   82  10.96 +/- 0.38   0.042% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   82  23.97 +/- 0.91   0.000% *  0.1395% (0.97   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  18.52 +/- 0.91   0.002% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  17.86 +/- 1.02   0.002% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  24.18 +/- 0.66   0.000% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  25.36 +/- 1.43   0.000% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   82  26.88 +/- 1.32   0.000% *  0.1367% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (1.87, 8.64, 114.33 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 4.38, residual support = 11.9:
          QB    LYS+  81 - HN    SER   82   2.93 +/- 0.23  99.878% * 96.2158% (0.97   4.38  11.89) =  99.999%  kept
          HB3   GLN   90 - HN    SER   82  10.80 +/- 2.33   0.104% *  0.4202% (0.92   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    SER   82  16.46 +/- 0.74   0.004% *  0.4462% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    SER   82  15.73 +/- 1.08   0.005% *  0.2395% (0.53   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    SER   82  16.16 +/- 1.44   0.005% *  0.1709% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    SER   82  19.14 +/- 1.18   0.002% *  0.3949% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    SER   82  20.44 +/- 1.25   0.001% *  0.3127% (0.69   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    SER   82  21.92 +/- 1.60   0.001% *  0.3949% (0.87   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    SER   82  22.46 +/- 1.51   0.001% *  0.3306% (0.73   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    SER   82  23.57 +/- 0.83   0.000% *  0.3479% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    SER   82  28.01 +/- 1.08   0.000% *  0.3306% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    SER   82  30.16 +/- 1.63   0.000% *  0.2945% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    SER   82  27.16 +/- 0.90   0.000% *  0.1014% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.937, support = 4.41, residual support = 19.6:
          QG1   VAL   83 - HN    SER   82   4.35 +/- 0.34  83.391% * 81.8730% (0.95   4.52  20.34) =  96.509%  kept
          QD2   LEU   80 - HN    SER   82   5.98 +/- 0.44  14.369% * 17.1696% (0.69   1.31   0.02) =   3.487%  kept
          QG2   ILE   89 - HN    SER   82   8.22 +/- 0.51   2.040% *  0.1305% (0.34   0.02   0.02) =   0.004%
          QD1   LEU   73 - HN    SER   82  12.37 +/- 0.86   0.171% *  0.1181% (0.31   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    SER   82  20.96 +/- 1.24   0.007% *  0.3431% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    SER   82  18.44 +/- 1.29   0.016% *  0.1181% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    SER   82  21.64 +/- 1.59   0.006% *  0.2475% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.08 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.18, residual support = 101.4:
      O   QB    LYS+  81 - HN    LYS+  81   2.51 +/- 0.21  99.950% * 99.1460% (0.97  10.0   5.18 101.42) = 100.000%  kept
          HB3   GLN   90 - HN    LYS+  81  10.75 +/- 2.40   0.041% *  0.0948% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  81  15.36 +/- 1.70   0.004% *  0.0386% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  81  16.75 +/- 0.64   0.001% *  0.1007% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  15.65 +/- 0.79   0.002% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  19.18 +/- 0.84   0.001% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  20.75 +/- 1.55   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  20.60 +/- 1.60   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  21.39 +/- 1.08   0.000% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  23.66 +/- 0.76   0.000% *  0.0785% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  28.47 +/- 0.72   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  29.46 +/- 1.46   0.000% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  25.64 +/- 0.97   0.000% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 4.88, residual support = 101.4:
          QG    LYS+  81 - HN    LYS+  81   2.14 +/- 0.40  99.997% * 98.7565% (0.97   4.88 101.42) = 100.000%  kept
          HD3   LYS+  74 - HN    LYS+  81  14.35 +/- 0.82   0.003% *  0.1431% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  81  20.24 +/- 1.27   0.000% *  0.3873% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+  81  21.25 +/- 1.19   0.000% *  0.3969% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LYS+  81  23.39 +/- 0.98   0.000% *  0.1295% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  24.57 +/- 0.77   0.000% *  0.0934% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  28.03 +/- 1.19   0.000% *  0.0934% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 801 (0.58, 7.29, 121.74 ppm):
    9 chemical-shift based assignments, quality = 0.324, support = 4.55, residual support = 29.5:
          QD1   LEU   80 - HN    LYS+  81   4.22 +/- 0.38  81.169% * 20.9099% (0.15   4.39  29.47) =  54.429%  kept
          QD2   LEU   80 - HN    LYS+  81   5.53 +/- 0.44  18.535% * 76.6625% (0.53   4.73  29.47) =  45.568%  kept
          QD1   LEU   73 - HN    LYS+  81  12.09 +/- 0.65   0.163% *  0.5531% (0.90   0.02   0.02) =   0.003%
          QD1   LEU   63 - HN    LYS+  81  17.78 +/- 1.20   0.017% *  0.5531% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LYS+  81  15.35 +/- 1.12   0.043% *  0.1715% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LYS+  81  19.37 +/- 1.05   0.010% *  0.5152% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LYS+  81  14.74 +/- 0.90   0.052% *  0.0952% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  81  20.93 +/- 1.56   0.006% *  0.3492% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LYS+  81  21.27 +/- 1.14   0.006% *  0.1904% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.14 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.575, support = 3.42, residual support = 13.7:
          HB2   ASP-  78 - HN    GLU-  79   3.36 +/- 0.36  51.281% * 73.3693% (0.60   4.01  17.07) =  74.932%  kept
          HB2   ASP-  76 - HN    GLU-  79   3.41 +/- 0.46  48.683% * 25.8554% (0.51   1.66   3.45) =  25.068%  kept
          HB2   ASP-  86 - HN    GLU-  79  12.03 +/- 0.33   0.026% *  0.0505% (0.08   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    GLU-  79  14.98 +/- 0.61   0.007% *  0.1535% (0.25   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    GLU-  79  19.42 +/- 1.32   0.002% *  0.1964% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  79  20.60 +/- 2.25   0.001% *  0.1038% (0.17   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    GLU-  79  27.10 +/- 0.66   0.000% *  0.2711% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 4.14, residual support = 55.2:
      O   HB2   GLU-  79 - HN    GLU-  79   2.68 +/- 0.22  99.986% * 98.3341% (0.09  10.0   4.14  55.22) = 100.000%  kept
          HG3   GLU-  25 - HN    GLU-  79  13.21 +/- 0.99   0.008% *  0.4123% (0.39   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  79  14.28 +/- 1.16   0.005% *  0.2857% (0.27   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    GLU-  79  22.42 +/- 0.97   0.000% *  0.5103% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLU-  79  21.51 +/- 0.59   0.000% *  0.2174% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLU-  79  26.47 +/- 1.02   0.000% *  0.1419% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLU-  79  27.47 +/- 0.97   0.000% *  0.0983% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 3.98, residual support = 55.2:
      O   HB3   GLU-  79 - HN    GLU-  79   2.77 +/- 0.31  99.945% * 99.6469% (0.59  10.0   3.98  55.22) = 100.000%  kept
          HB2   GLN   90 - HN    GLU-  79  11.05 +/- 2.35   0.050% *  0.0789% (0.47   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  79  17.35 +/- 0.61   0.002% *  0.0953% (0.56   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  16.62 +/- 0.91   0.003% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  22.97 +/- 0.61   0.000% *  0.1023% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  28.74 +/- 0.45   0.000% *  0.0181% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 819 (2.79, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 3.95, residual support = 39.2:
      O   HB3   ASP-  78 - HN    ASP-  78   2.68 +/- 0.58  99.525% * 99.4250% (0.49  10.0   3.95  39.16) =  99.999%  kept
          QE    LYS+  74 - HN    ASP-  78   8.82 +/- 1.31   0.309% *  0.2002% (0.98   1.0   0.02   0.02) =   0.001%
          QB    CYS   50 - HN    ASP-  78   8.86 +/- 0.86   0.163% *  0.1971% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   PHE   72 - HN    ASP-  78  16.84 +/- 0.72   0.003% *  0.0455% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ASP-  78  27.22 +/- 0.85   0.000% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.975, support = 5.15, residual support = 37.9:
      O   HB2   ASP-  78 - HN    ASP-  78   2.60 +/- 0.46  85.758% * 82.2763% (0.98  10.0   5.15  39.16) =  96.582%  kept
          HB2   ASP-  76 - HN    ASP-  78   3.99 +/- 0.61  14.230% * 17.5494% (0.84   1.0   5.01   3.10) =   3.418%  kept
          HB2   ASP-  86 - HN    ASP-  78  12.90 +/- 0.36   0.009% *  0.0114% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  16.95 +/- 0.67   0.002% *  0.0345% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  20.64 +/- 1.29   0.001% *  0.0442% (0.53   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  78  19.80 +/- 2.22   0.001% *  0.0233% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  27.24 +/- 0.64   0.000% *  0.0610% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 821 (3.59, 8.52, 119.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.61, residual support = 28.4:
      O   HA    THR   77 - HN    ASP-  78   3.49 +/- 0.04  99.886% * 99.9219% (0.92  10.0   4.61  28.42) = 100.000%  kept
          HB2   TRP   27 - HN    ASP-  78  11.98 +/- 0.80   0.065% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ASP-  78  13.33 +/- 1.50   0.046% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HN    ASP-  78  19.83 +/- 0.60   0.003% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (5.01, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.41, residual support = 3.1:
          HA    ASP-  76 - HN    ASP-  78   3.50 +/- 0.16  99.999% * 99.6412% (0.95   2.41   3.10) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  78  24.37 +/- 0.98   0.001% *  0.3588% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 823 (3.58, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.02, residual support = 37.8:
      O   HA    THR   77 - HN    THR   77   2.76 +/- 0.01  99.941% * 99.8846% (0.98  10.0   4.02  37.77) = 100.000%  kept
          HD2   PRO   93 - HN    THR   77  11.22 +/- 1.34   0.032% *  0.0577% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    THR   77  11.05 +/- 0.88   0.027% *  0.0577% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 0.943, support = 3.51, residual support = 15.0:
          HB2   ASP-  76 - HN    THR   77   4.49 +/- 0.29  67.805% * 60.1808% (1.00   3.64  10.82) =  76.363%  kept
          HB2   ASP-  78 - HN    THR   77   5.20 +/- 0.55  32.144% * 39.2928% (0.76   3.10  28.42) =  23.636%  kept
          HB2   ASN   28 - HN    THR   77  16.34 +/- 0.78   0.032% *  0.0581% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    THR   77  19.56 +/- 1.19   0.011% *  0.0827% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    THR   77  24.98 +/- 0.66   0.002% *  0.3200% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    THR   77  21.80 +/- 0.97   0.005% *  0.0656% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.65 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 = 10.8:
          HB3   ASP-  76 - HN    THR   77   4.08 +/- 0.29  87.412% * 95.2550% (0.57   3.64  10.82) =  99.933%  kept
          QG    GLN   90 - HN    THR   77   7.38 +/- 2.36   8.999% *  0.3155% (0.34   0.02   0.02) =   0.034%
          HG3   MET   92 - HN    THR   77  10.91 +/- 2.56   2.827% *  0.9250% (1.00   0.02   0.02) =   0.031%
          HB2   ASP-  44 - HN    THR   77   9.38 +/- 0.31   0.660% *  0.1831% (0.20   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    THR   77  17.54 +/- 0.84   0.016% *  0.9067% (0.98   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR   77  14.40 +/- 0.82   0.050% *  0.2572% (0.28   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    THR   77  18.69 +/- 0.77   0.010% *  0.6354% (0.69   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    THR   77  19.27 +/- 0.63   0.008% *  0.7407% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR   77  19.70 +/- 1.37   0.007% *  0.2059% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR   77  19.66 +/- 1.19   0.008% *  0.1252% (0.14   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    THR   77  25.70 +/- 1.02   0.002% *  0.4503% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.04 A, kept.
 
    Peak 826 (1.32, 9.27, 119.07 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 4.02, residual support = 37.8:
          QG2   THR   77 - HN    THR   77   2.02 +/- 0.18  99.807% * 96.0901% (0.61   4.02  37.77) =  99.999%  kept
          HB3   LEU   80 - HN    THR   77   6.42 +/- 0.85   0.174% *  0.3239% (0.41   0.02   0.52) =   0.001%
          QB    ALA   88 - HN    THR   77  11.20 +/- 0.47   0.004% *  0.7452% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    THR   77   9.44 +/- 0.48   0.013% *  0.1754% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   77  16.14 +/- 0.94   0.000% *  0.2431% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   77  18.11 +/- 0.68   0.000% *  0.4460% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   77  18.80 +/- 1.08   0.000% *  0.5096% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   77  24.37 +/- 0.66   0.000% *  0.7065% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   77  27.39 +/- 0.59   0.000% *  0.7602% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 1.22, residual support = 2.44:
          QB    ALA   47 - HN    THR   77   5.25 +/- 0.76  98.387% * 97.1199% (0.90   1.22   2.44) =  99.980%  kept
          QG1   VAL   42 - HN    THR   77  11.78 +/- 0.30   1.062% *  1.4197% (0.80   0.02   0.02) =   0.016%
          QB    ALA   64 - HN    THR   77  13.32 +/- 0.62   0.509% *  0.6654% (0.38   0.02   0.02) =   0.004%
          HG2   LYS+ 112 - HN    THR   77  20.42 +/- 1.79   0.043% *  0.7949% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 12 structures by 1.08 A, kept.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.27, residual support = 84.4:
      O   HA    VAL   75 - HN    VAL   75   2.93 +/- 0.00  99.947% * 99.8428% (0.97  10.0   5.27  84.40) = 100.000%  kept
          HA    ALA   61 - HN    VAL   75  11.04 +/- 0.98   0.042% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    VAL   75  14.23 +/- 0.93   0.008% *  0.1014% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   75  17.86 +/- 1.27   0.002% *  0.0205% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (2.28, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 0.749, residual support = 0.748:
          HB2   ASP-  44 - HN    VAL   75   4.55 +/- 0.17  96.371% * 87.0932% (0.87   0.75   0.75) =  99.920%  kept
          HB3   PHE   72 - HN    VAL   75   8.88 +/- 0.83   2.127% *  2.0462% (0.76   0.02   0.02) =   0.052%
          QG    GLN   90 - HN    VAL   75  10.59 +/- 1.64   0.948% *  1.8392% (0.69   0.02   0.02) =   0.021%
          QG    GLU-  15 - HN    VAL   75  14.76 +/- 1.18   0.094% *  2.5328% (0.95   0.02   0.02) =   0.003%
          QG    GLU-  14 - HN    VAL   75  15.28 +/- 1.45   0.085% *  2.2364% (0.84   0.02   0.02) =   0.002%
          HG2   MET   92 - HN    VAL   75  13.07 +/- 1.79   0.295% *  0.4689% (0.18   0.02   0.02) =   0.002%
          HG12  ILE  119 - HN    VAL   75  15.48 +/- 0.90   0.068% *  0.9133% (0.34   0.02   0.02) =   0.001%
          QB    MET   11 - HN    VAL   75  23.91 +/- 1.48   0.005% *  2.4012% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    VAL   75  22.32 +/- 0.63   0.007% *  0.4689% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.17 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 = 0.223, support = 4.27, residual support = 30.4:
          HB3   LYS+  74 - HN    VAL   75   4.04 +/- 0.25  87.882% * 42.5798% (0.20   4.41  31.84) =  95.324%  kept
          HG    LEU   73 - HN    VAL   75   7.49 +/- 0.88   3.538% * 50.2725% (0.76   1.35   0.41) =   4.531%  kept
          HG    LEU   80 - HN    VAL   75   6.99 +/- 0.86   4.512% *  0.8456% (0.87   0.02   0.49) =   0.097%
          HB2   LEU   80 - HN    VAL   75   7.71 +/- 1.04   3.000% *  0.3325% (0.34   0.02   0.49) =   0.025%
          QB    ALA   61 - HN    VAL   75  10.25 +/- 0.97   0.467% *  0.9555% (0.98   0.02   0.02) =   0.011%
          HG12  ILE   19 - HN    VAL   75  10.66 +/- 0.68   0.294% *  0.7450% (0.76   0.02   0.02) =   0.006%
          QB    ALA  110 - HN    VAL   75  12.42 +/- 1.38   0.131% *  0.8142% (0.84   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    VAL   75  15.26 +/- 1.13   0.038% *  0.9726% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    VAL   75  16.25 +/- 0.81   0.024% *  0.8998% (0.92   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    VAL   75  15.00 +/- 0.94   0.038% *  0.2710% (0.28   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    VAL   75  15.27 +/- 0.79   0.034% *  0.2710% (0.28   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    VAL   75  15.88 +/- 1.03   0.028% *  0.1929% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    VAL   75  21.56 +/- 1.10   0.004% *  0.6306% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   75  19.07 +/- 1.57   0.010% *  0.2170% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.03 A, kept.
 
    Peak 831 (1.26, 8.53, 128.95 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 5.67, residual support = 31.8:
          HG2   LYS+  74 - HN    VAL   75   2.91 +/- 0.60  99.392% * 95.2152% (0.45   5.67  31.84) =  99.997%  kept
          QG2   ILE   56 - HN    VAL   75   9.82 +/- 1.91   0.223% *  0.6495% (0.87   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    VAL   75   9.09 +/- 0.74   0.204% *  0.2554% (0.34   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    VAL   75  10.76 +/- 0.36   0.071% *  0.5143% (0.69   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    VAL   75  11.44 +/- 0.55   0.047% *  0.7226% (0.97   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    VAL   75  12.79 +/- 0.32   0.025% *  0.5143% (0.69   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    VAL   75  14.14 +/- 0.65   0.014% *  0.7226% (0.97   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    VAL   75  13.62 +/- 0.74   0.021% *  0.3078% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    VAL   75  19.90 +/- 0.98   0.002% *  0.3644% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    VAL   75  23.01 +/- 0.82   0.001% *  0.7339% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 0.939, support = 4.53, residual support = 83.6:
      O   HB    VAL   75 - HN    VAL   75   2.75 +/- 0.46  91.390% * 86.0071% (0.95  10.0   4.51  84.40) =  98.522%  kept
          HG3   LYS+  74 - HN    VAL   75   4.31 +/- 0.34   8.558% * 13.7796% (0.49   1.0   6.23  31.84) =   1.478%  kept
          QD2   LEU   40 - HN    VAL   75  13.17 +/- 0.98   0.016% *  0.0695% (0.76   1.0   0.02   0.02) =   0.000%
          QD1   LEU   67 - HN    VAL   75  12.57 +/- 1.12   0.014% *  0.0660% (0.73   1.0   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    VAL   75  13.97 +/- 0.55   0.008% *  0.0551% (0.61   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    VAL   75  12.78 +/- 1.13   0.013% *  0.0227% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.05 A, kept.
 
    Peak 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.632, support = 0.704, residual support = 1.53:
          QG2   THR   46 - HN    VAL   75   3.80 +/- 0.62  78.589% * 21.7776% (0.69   0.42   1.96) =  73.370%  kept
          QD2   LEU   73 - HN    VAL   75   6.50 +/- 1.17  10.162% * 52.0837% (0.41   1.70   0.41) =  22.690%  kept
          QG1   VAL   43 - HN    VAL   75   7.18 +/- 0.70   2.803% * 17.0604% (0.97   0.24   0.02) =   2.050%  kept
          QG2   VAL   18 - HN    VAL   75   6.10 +/- 0.65   7.784% *  5.6076% (0.80   0.09   0.02) =   1.871%  kept
          QD1   ILE   19 - HN    VAL   75   9.73 +/- 0.30   0.343% *  0.5091% (0.34   0.02   0.02) =   0.007%
          QG1   VAL   41 - HN    VAL   75  11.90 +/- 0.66   0.105% *  1.4891% (1.00   0.02   0.02) =   0.007%
          HG    LEU   31 - HN    VAL   75  12.35 +/- 0.68   0.093% *  0.8449% (0.57   0.02   0.02) =   0.003%
          QD1   ILE   56 - HN    VAL   75  11.72 +/- 0.86   0.107% *  0.2953% (0.20   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    VAL   75  16.51 +/- 0.62   0.013% *  0.3323% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 834 (0.45, 8.53, 128.95 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 84.4:
          QG1   VAL   75 - HN    VAL   75   3.48 +/- 0.30  99.958% * 99.6866% (0.92   5.27  84.40) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   75  13.66 +/- 1.57   0.042% *  0.3134% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 5.12, residual support = 84.4:
          QG2   VAL   75 - HN    VAL   75   3.06 +/- 0.53  98.919% * 99.5283% (0.49   5.12  84.40) =  99.998%  kept
          QD1   ILE   89 - HN    VAL   75   7.03 +/- 0.62   0.963% *  0.1992% (0.25   0.02   0.02) =   0.002%
          QG2   VAL   42 - HN    VAL   75   9.89 +/- 0.26   0.117% *  0.2725% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.698, support = 4.35, residual support = 184.7:
      O   HB3   LYS+  74 - HN    LYS+  74   2.73 +/- 0.27  72.826% * 95.5021% (0.71  10.0   4.33 186.82) =  98.545%  kept
          HB3   LEU   73 - HN    LYS+  74   3.44 +/- 0.58  26.298% *  3.9035% (0.11   1.0   5.29  38.85) =   1.455%  kept
          HG12  ILE   19 - HN    LYS+  74   6.38 +/- 0.56   0.618% *  0.0581% (0.43   1.0   0.02   8.69) =   0.001%
          HG    LEU   80 - HN    LYS+  74   8.85 +/- 0.69   0.082% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+  74   9.94 +/- 0.96   0.041% *  0.0924% (0.68   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  74   8.98 +/- 0.47   0.067% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  74  10.01 +/- 0.88   0.035% *  0.0295% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  74  12.86 +/- 1.00   0.008% *  0.0830% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  13.34 +/- 1.06   0.007% *  0.0239% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  15.26 +/- 1.44   0.003% *  0.0504% (0.37   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  74  15.97 +/- 1.17   0.002% *  0.0581% (0.43   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  74  13.25 +/- 1.15   0.006% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  74  13.73 +/- 1.67   0.006% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+  74  19.56 +/- 1.77   0.001% *  0.0957% (0.71   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (0.80, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.197, support = 5.59, residual support = 38.9:
          QD2   LEU   73 - HN    LYS+  74   3.93 +/- 0.23  99.675% * 97.1773% (0.20   5.59  38.85) =  99.999%  kept
          HG    LEU   31 - HN    LYS+  74  10.91 +/- 0.69   0.249% *  0.2189% (0.12   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LYS+  74  13.68 +/- 0.83   0.061% *  0.6575% (0.37   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    LYS+  74  18.87 +/- 1.42   0.010% *  0.7076% (0.40   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  74  20.67 +/- 1.42   0.005% *  1.2387% (0.70   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.26 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.636, support = 5.44, residual support = 38.9:
          HB2   LEU   73 - HN    LYS+  74   3.41 +/- 0.50  99.890% * 97.8603% (0.64   5.44  38.85) = 100.000%  kept
          QG1   ILE   56 - HN    LYS+  74  13.51 +/- 0.90   0.040% *  0.2273% (0.40   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LYS+  74  15.90 +/- 0.89   0.014% *  0.3980% (0.70   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LYS+  74  17.13 +/- 0.87   0.010% *  0.4006% (0.71   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+  74  15.96 +/- 1.22   0.012% *  0.3069% (0.54   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+  74  15.42 +/- 0.67   0.016% *  0.1370% (0.24   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LYS+  74  17.82 +/- 1.13   0.010% *  0.1800% (0.32   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LYS+  74  22.16 +/- 1.69   0.003% *  0.1507% (0.27   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+  74  23.05 +/- 0.88   0.001% *  0.2598% (0.46   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+  74  19.55 +/- 1.20   0.005% *  0.0795% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.03 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.499, support = 0.02, residual support = 0.02:
          HB    VAL   41 - HN    LYS+  74  11.38 +/- 1.24  21.538% * 15.4986% (0.71   0.02   0.02) =  37.582%  kept
          HB2   LEU   71 - HN    LYS+  74   9.46 +/- 0.70  57.150% *  5.8297% (0.27   0.02   0.02) =  37.511%  kept
          QB    LYS+  66 - HN    LYS+  74  14.45 +/- 0.54   4.470% * 14.9905% (0.68   0.02   0.02) =   7.544%  kept
          QB    LYS+  65 - HN    LYS+  74  12.98 +/- 0.73   8.894% *  6.3858% (0.29   0.02   0.02) =   6.394%  kept
          HG12  ILE  103 - HN    LYS+  74  15.68 +/- 0.98   2.802% * 14.6936% (0.67   0.02   0.02) =   4.635%  kept
          HG2   PRO   93 - HN    LYS+  74  15.68 +/- 0.57   2.735% * 11.8708% (0.54   0.02   0.02) =   3.656%  kept
          HB3   PRO   52 - HN    LYS+  74  18.86 +/- 0.89   0.913% * 11.2793% (0.51   0.02   0.02) =   1.159%  kept
          QB    LYS+ 102 - HN    LYS+  74  18.39 +/- 1.05   1.099% *  8.1723% (0.37   0.02   0.02) =   1.011%  kept
          HG    LEU  123 - HN    LYS+  74  21.80 +/- 1.36   0.400% * 11.2793% (0.51   0.02   0.02) =   0.508%  kept
    Distance limit 4.41 A violated in 20 structures by 4.12 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.785, support = 4.5, residual support = 33.4:
          HB3   PHE   72 - HN    LEU   73   3.82 +/- 0.39  63.042% * 69.1884% (0.76   5.13  39.98) =  80.290%  kept
          HB2   ASP-  44 - HN    LEU   73   4.28 +/- 0.62  36.440% * 29.3795% (0.87   1.92   6.66) =  19.707%  kept
          QG    GLU-  15 - HN    LEU   73   9.84 +/- 1.37   0.353% *  0.3340% (0.95   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    LEU   73  11.83 +/- 1.35   0.083% *  0.2949% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    LEU   73  13.20 +/- 1.27   0.044% *  0.1204% (0.34   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LEU   73  14.87 +/- 0.89   0.020% *  0.2425% (0.69   0.02   0.02) =   0.000%
          QB    MET   11 - HN    LEU   73  20.19 +/- 1.31   0.003% *  0.3166% (0.90   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   73  17.17 +/- 1.03   0.008% *  0.0618% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   73  17.92 +/- 1.10   0.006% *  0.0618% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 6.03, residual support = 170.5:
      O   HB2   LEU   73 - HN    LEU   73   3.40 +/- 0.44  99.772% * 99.3783% (0.99  10.0   6.03 170.45) = 100.000%  kept
          QD    LYS+ 106 - HN    LEU   73  13.21 +/- 0.82   0.039% *  0.0899% (0.90   1.0   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LEU   73  13.46 +/- 0.85   0.035% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    LEU   73  12.06 +/- 1.07   0.067% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU   73  15.67 +/- 0.68   0.014% *  0.0994% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU   73  14.74 +/- 0.54   0.018% *  0.0689% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LEU   73  13.80 +/- 1.11   0.028% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU   73  16.64 +/- 0.94   0.009% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LEU   73  18.42 +/- 1.74   0.005% *  0.0728% (0.73   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU   73  21.04 +/- 1.06   0.002% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  16.27 +/- 0.68   0.010% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.04 A, kept.
 
    Peak 842 (1.40, 8.95, 120.59 ppm):
    15 chemical-shift based assignments, quality = 0.417, support = 6.09, residual support = 164.7:
      O   HB3   LEU   73 - HN    LEU   73   3.30 +/- 0.46  83.192% * 64.2476% (0.41  10.0   6.20 170.45) =  96.409%  kept
          HB    VAL   42 - HN    LEU   73   4.71 +/- 0.44  11.836% * 12.8120% (0.49   1.0   3.37   1.11) =   2.735%  kept
          HB3   LYS+  74 - HN    LEU   73   6.37 +/- 0.55   2.151% * 21.9870% (0.87   1.0   3.24  38.85) =   0.853%  kept
          HG12  ILE   19 - HN    LEU   73   6.60 +/- 1.32   2.400% *  0.0435% (0.28   1.0   0.02   4.16) =   0.002%
          QB    LEU   98 - HN    LEU   73   9.82 +/- 0.72   0.162% *  0.1559% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   73  12.16 +/- 0.86   0.046% *  0.1073% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   73  12.20 +/- 1.43   0.051% *  0.0761% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   73  12.35 +/- 0.73   0.036% *  0.0885% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   73  11.59 +/- 0.70   0.063% *  0.0309% (0.20   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   73  15.62 +/- 1.86   0.012% *  0.1305% (0.84   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   73  16.10 +/- 1.09   0.007% *  0.1443% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   73  13.70 +/- 0.61   0.021% *  0.0348% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   73  14.37 +/- 1.36   0.018% *  0.0348% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   73  17.94 +/- 1.02   0.004% *  0.0587% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   73  20.84 +/- 1.51   0.002% *  0.0482% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 843 (0.78, 8.95, 120.59 ppm):
    7 chemical-shift based assignments, quality = 0.974, support = 7.64, residual support = 168.8:
          QD2   LEU   73 - HN    LEU   73   2.69 +/- 0.75  86.653% * 82.7970% (0.98   7.68 170.45) =  98.995%  kept
          QG1   VAL   43 - HN    LEU   73   5.05 +/- 0.66   4.365% * 16.5844% (0.38   4.02   8.01) =   0.999%  kept
          QG2   VAL   18 - HN    LEU   73   4.71 +/- 0.79   8.523% *  0.0435% (0.20   0.02   0.02) =   0.005%
          QG1   VAL   41 - HN    LEU   73   7.90 +/- 0.81   0.377% *  0.1246% (0.57   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LEU   73  10.06 +/- 1.08   0.058% *  0.2195% (1.00   0.02   1.37) =   0.000%
          QD1   ILE   56 - HN    LEU   73  12.31 +/- 0.94   0.021% *  0.1762% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   73  16.62 +/- 1.44   0.003% *  0.0549% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 844 (0.57, 8.95, 120.59 ppm):
    8 chemical-shift based assignments, quality = 0.569, support = 5.98, residual support = 169.0:
          QD1   LEU   73 - HN    LEU   73   4.12 +/- 0.34  81.280% * 84.6168% (0.57   6.02 170.45) =  99.171%  kept
          QD2   LEU   63 - HN    LEU   73   7.87 +/- 1.25   3.788% * 14.1593% (1.00   0.57   0.02) =   0.773%  kept
          QG2   VAL   41 - HN    LEU   73   6.96 +/- 0.94   5.547% *  0.3009% (0.61   0.02   0.02) =   0.024%
          QD1   LEU   63 - HN    LEU   73   7.43 +/- 1.18   5.390% *  0.2809% (0.57   0.02   0.02) =   0.022%
          QD2   LEU   98 - HN    LEU   73   7.89 +/- 1.10   2.317% *  0.2040% (0.41   0.02   0.02) =   0.007%
          QD2   LEU   80 - HN    LEU   73   8.51 +/- 0.45   1.062% *  0.1105% (0.22   0.02   0.02) =   0.002%
          QD1   LEU   80 - HN    LEU   73   9.96 +/- 0.86   0.475% *  0.2040% (0.41   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   73  13.20 +/- 1.87   0.141% *  0.1237% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.05 A, kept.
 
    Peak 845 (0.39, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.496, support = 1.03, residual support = 0.952:
          QG1   VAL   42 - HN    LEU   73   2.93 +/- 0.59  94.088% * 22.7990% (0.45   0.87   1.11) =  82.671%  kept
          QB    ALA   64 - HN    LEU   73   5.68 +/- 0.64   5.890% * 76.3343% (0.73   1.80   0.22) =  17.329%  kept
          QB    ALA   47 - HN    LEU   73  12.74 +/- 0.41   0.020% *  0.6619% (0.57   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HN    LEU   73  20.37 +/- 1.91   0.002% *  0.2048% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 0.248, support = 1.95, residual support = 7.97:
          QG2   VAL   43 - HN    LEU   73   4.67 +/- 0.66  87.908% * 91.8448% (0.25   1.96   8.01) =  99.501%  kept
          QD2   LEU   31 - HN    LEU   73   7.04 +/- 0.97   9.008% *  3.7504% (1.00   0.02   1.37) =   0.416%
          QG2   VAL   83 - HN    LEU   73   9.67 +/- 0.83   1.459% *  2.7234% (0.73   0.02   0.02) =   0.049%
          QD1   ILE   89 - HN    LEU   73   9.41 +/- 0.56   1.625% *  1.6814% (0.45   0.02   0.02) =   0.034%
    Distance limit 4.42 A violated in 5 structures by 0.41 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.529, support = 5.03, residual support = 90.1:
      O   HB2   PHE   72 - HN    PHE   72   2.73 +/- 0.57  97.643% * 79.6247% (0.53  10.0   5.04  90.37) =  99.421%  kept
          HA    ALA   64 - HN    PHE   72   5.75 +/- 0.43   2.227% * 20.3220% (0.97   1.0   2.78  39.24) =   0.579%  kept
          HB3   ASN   69 - HN    PHE   72   9.39 +/- 0.68   0.124% *  0.0234% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    PHE   72  15.39 +/- 0.72   0.005% *  0.0300% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 5.21, residual support = 90.4:
      O   HB3   PHE   72 - HN    PHE   72   3.15 +/- 0.64  95.388% * 99.3598% (0.76  10.0   5.21  90.37) =  99.994%  kept
          QG    GLU-  15 - HN    PHE   72   6.23 +/- 1.49   3.454% *  0.1230% (0.95   1.0   0.02   0.02) =   0.004%
          HB2   ASP-  44 - HN    PHE   72   7.96 +/- 0.59   0.632% *  0.1128% (0.87   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    PHE   72   9.15 +/- 1.31   0.479% *  0.1086% (0.84   1.0   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    PHE   72  14.00 +/- 1.27   0.026% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   72  17.20 +/- 1.27   0.006% *  0.1166% (0.90   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   72  18.57 +/- 0.87   0.004% *  0.0893% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  16.14 +/- 1.43   0.010% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  20.85 +/- 1.07   0.002% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 3.9, residual support = 19.3:
          HG    LEU   71 - HN    PHE   72   5.21 +/- 0.30  30.899% * 93.9498% (0.99   3.97  19.66) =  97.961%  kept
          QG2   THR   39 - HN    PHE   72   6.43 +/- 0.45   9.031% *  3.6929% (0.65   0.24   0.02) =   1.125%  kept
          HG13  ILE   19 - HN    PHE   72   4.69 +/- 0.83  58.940% *  0.4513% (0.95   0.02   0.02) =   0.898%  kept
          HG2   LYS+  74 - HN    PHE   72   9.79 +/- 0.92   0.753% *  0.4760% (1.00   0.02   0.02) =   0.012%
          HG3   LYS+  99 - HN    PHE   72  13.10 +/- 1.46   0.155% *  0.4771% (1.00   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    PHE   72  13.21 +/- 1.58   0.139% *  0.1062% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    PHE   72  15.57 +/- 0.89   0.041% *  0.1791% (0.38   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    PHE   72  18.16 +/- 0.99   0.016% *  0.3086% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    PHE   72  17.16 +/- 0.52   0.022% *  0.1961% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    PHE   72  22.40 +/- 1.37   0.005% *  0.1627% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.16 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.96, support = 5.25, residual support = 19.8:
          QD2   LEU   71 - HN    PHE   72   3.39 +/- 0.40  88.752% * 91.0609% (0.97   5.28  19.66) =  99.175%  kept
          QD1   LEU   67 - HN    PHE   72   6.63 +/- 1.45   8.574% *  7.8030% (0.31   1.41  35.48) =   0.821%  kept
          QD2   LEU   40 - HN    PHE   72   7.90 +/- 1.36   2.358% *  0.0994% (0.28   0.02   0.02) =   0.003%
          QG2   ILE  119 - HN    PHE   72  11.62 +/- 1.51   0.091% *  0.3450% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    PHE   72  10.18 +/- 0.80   0.151% *  0.1881% (0.53   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    PHE   72  13.08 +/- 0.90   0.040% *  0.3567% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    PHE   72  13.42 +/- 0.80   0.034% *  0.1470% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.03 A, kept.
 
    Peak 852 (2.20, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 6.22, residual support = 32.6:
          HB    VAL   70 - HN    LEU   71   4.16 +/- 0.21  97.853% * 98.9261% (0.98   6.22  32.57) =  99.995%  kept
          QG    GLN   17 - HN    LEU   71   9.64 +/- 0.99   0.869% *  0.3236% (1.00   0.02   0.02) =   0.003%
          HB2   MET   96 - HN    LEU   71  10.50 +/- 0.75   0.409% *  0.2098% (0.65   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    LEU   71  10.48 +/- 1.53   0.598% *  0.0722% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   71  11.58 +/- 1.06   0.247% *  0.0902% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LEU   71  18.73 +/- 0.73   0.013% *  0.3214% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LEU   71  19.28 +/- 0.68   0.011% *  0.0568% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.05 A, kept.
 
    Peak 853 (1.81, 8.15, 128.27 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 6.38, residual support = 139.2:
      O   HB2   LEU   71 - HN    LEU   71   2.72 +/- 0.45  99.289% * 99.5111% (0.98  10.0   6.38 139.15) = 100.000%  kept
          HB    VAL   41 - HN    LEU   71   7.07 +/- 0.53   0.408% *  0.0455% (0.45   1.0   0.02   4.31) =   0.000%
          QB    LYS+  66 - HN    LEU   71  10.08 +/- 0.95   0.150% *  0.0657% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU   71  11.25 +/- 0.91   0.065% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   71  11.07 +/- 1.14   0.060% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   71  13.05 +/- 1.14   0.012% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   71  12.43 +/- 0.74   0.015% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   71  19.27 +/- 0.72   0.001% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.06 A, kept.
 
    Peak 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.981, support = 5.76, residual support = 135.1:
          HG    LEU   71 - HN    LEU   71   3.81 +/- 0.73  44.609% * 96.0117% (0.99   5.93 139.15) =  97.065%  kept
          QG2   THR   39 - HN    LEU   71   3.94 +/- 1.12  54.463% *  2.3729% (0.65   0.22   0.22) =   2.929%  kept
          HG13  ILE   19 - HN    LEU   71   7.99 +/- 1.21   0.603% *  0.3093% (0.95   0.02   0.02) =   0.004%
          HG3   LYS+  99 - HN    LEU   71   9.36 +/- 0.99   0.241% *  0.3269% (1.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HN    LEU   71  13.09 +/- 0.93   0.025% *  0.3262% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   71  12.33 +/- 1.40   0.040% *  0.1227% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   71  14.74 +/- 1.73   0.013% *  0.0728% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   71  19.32 +/- 1.18   0.002% *  0.2115% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    LEU   71  18.09 +/- 0.63   0.003% *  0.1344% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    LEU   71  22.83 +/- 1.60   0.001% *  0.1115% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.10 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.901, support = 6.04, residual support = 90.7:
          QD1   LEU   71 - HN    LEU   71   3.58 +/- 0.92  56.850% * 46.3190% (0.84   6.10 139.15) =  54.536%  kept
          QG1   VAL   70 - HN    LEU   71   3.85 +/- 0.49  41.338% * 53.0979% (0.98   5.96  32.57) =  45.459%  kept
          HB3   LEU   63 - HN    LEU   71   8.95 +/- 1.65   1.334% *  0.1249% (0.69   0.02   0.02) =   0.003%
          QG1   VAL   18 - HN    LEU   71   9.20 +/- 0.78   0.325% *  0.1818% (1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    LEU   71  12.52 +/- 1.91   0.098% *  0.1519% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    LEU   71  12.29 +/- 0.79   0.048% *  0.0885% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   71  16.87 +/- 0.57   0.007% *  0.0360% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 857 (0.19, 8.15, 128.27 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 6.43, residual support = 32.6:
          QG2   VAL   70 - HN    LEU   71   2.62 +/- 0.46 100.000% *100.0000% (0.73   6.43  32.57) = 100.000%  kept
    Distance limit 3.12 A violated in 0 structures by 0.06 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.63, residual support = 82.8:
      O   HB    VAL   70 - HN    VAL   70   2.71 +/- 0.50  99.855% * 99.6297% (0.76  10.0   4.63  82.83) = 100.000%  kept
          QG    GLN   17 - HN    VAL   70   9.23 +/- 1.11   0.111% *  0.1089% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   70  13.00 +/- 1.05   0.021% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   70  13.39 +/- 0.43   0.012% *  0.0445% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   70  22.22 +/- 0.67   0.001% *  0.1203% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  20.27 +/- 1.08   0.001% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.07 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.811, support = 0.648, residual support = 7.18:
          HB3   LEU   67 - HN    VAL   70   4.11 +/- 1.44  64.314% * 31.4774% (0.87   0.58   0.02) =  79.704%  kept
          HG    LEU   40 - HN    VAL   70   6.57 +/- 1.34  13.203% * 37.2027% (0.61   0.97  37.04) =  19.339%  kept
          HG    LEU   67 - HN    VAL   70   4.98 +/- 1.21  20.799% *  0.6128% (0.49   0.02   0.02) =   0.502%  kept
          QG    LYS+  66 - HN    VAL   70   8.97 +/- 1.04   0.651% * 11.2481% (0.98   0.18   0.02) =   0.289%
          HG    LEU   73 - HN    VAL   70  10.55 +/- 1.18   0.255% * 14.7975% (0.99   0.24   0.02) =   0.149%
          HG12  ILE   19 - HN    VAL   70   9.94 +/- 1.30   0.607% *  0.5176% (0.41   0.02   0.02) =   0.012%
          QB    ALA   61 - HN    VAL   70  11.21 +/- 0.78   0.134% *  0.9142% (0.73   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - HN    VAL   70  17.35 +/- 1.78   0.015% *  1.1909% (0.95   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    VAL   70  17.27 +/- 1.36   0.011% *  0.7636% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   70  18.58 +/- 1.40   0.007% *  0.6128% (0.49   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    VAL   70  20.78 +/- 0.68   0.003% *  0.6624% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.05 A, kept.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.925, support = 5.1, residual support = 81.3:
          QG1   VAL   70 - HN    VAL   70   2.58 +/- 0.52  95.868% * 54.7930% (0.92   5.14  82.83) =  96.934%  kept
          QD1   LEU   71 - HN    VAL   70   5.77 +/- 1.32   3.731% * 44.5115% (1.00   3.86  32.57) =   3.064%  kept
          QD1   LEU  123 - HN    VAL   70  10.48 +/- 2.00   0.179% *  0.2309% (1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HN    VAL   70   8.41 +/- 0.90   0.164% *  0.0788% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    VAL   70  10.42 +/- 0.81   0.046% *  0.1929% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    VAL   70  12.87 +/- 1.04   0.012% *  0.1929% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.18, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.21, residual support = 82.8:
          QG2   VAL   70 - HN    VAL   70   3.65 +/- 0.22 100.000% *100.0000% (0.98   4.21  82.83) = 100.000%  kept
    Distance limit 3.95 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 = 2.98, residual support = 61.2:
      O   HB2   ASN   69 - HD22  ASN   69   3.84 +/- 0.26  99.249% * 99.7633% (0.55  10.0   2.98  61.21) = 100.000%  kept
          QE    LYS+  66 - HD22  ASN   69  10.80 +/- 2.45   0.592% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD22  ASN   69  13.83 +/- 2.99   0.153% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD22  ASN   69  24.73 +/- 1.54   0.002% *  0.1018% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  21.98 +/- 1.86   0.004% *  0.0157% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   69  28.78 +/- 1.20   0.001% *  0.0739% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 863 (0.86, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.559, support = 3.22, residual support = 27.0:
          QG1   VAL   70 - HD22  ASN   69   4.32 +/- 1.52  72.431% * 92.1592% (0.56   3.28  27.50) =  98.021%  kept
          QD1   LEU   71 - HD22  ASN   69   7.61 +/- 2.42  21.572% *  6.1058% (0.53   0.23   0.02) =   1.934%  kept
          QD1   LEU  123 - HD22  ASN   69  10.41 +/- 2.58   5.384% *  0.5322% (0.53   0.02   0.02) =   0.042%
          HB3   LEU  104 - HD22  ASN   69  11.88 +/- 1.85   0.252% *  0.3639% (0.36   0.02   0.02) =   0.001%
          HB3   LEU   63 - HD22  ASN   69  10.89 +/- 1.74   0.287% *  0.2960% (0.30   0.02   0.02) =   0.001%
          QG1   VAL   18 - HD22  ASN   69  13.73 +/- 1.32   0.075% *  0.5429% (0.54   0.02   0.02) =   0.001%
    Distance limit 4.23 A violated in 1 structures by 0.20 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.97, residual support = 2.97:
          HA    LEU   67 - HN    ASN   69   3.58 +/- 0.64 100.000% *100.0000% (0.92   2.97   2.97) = 100.000%  kept
    Distance limit 4.56 A violated in 0 structures by 0.03 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 31.9:
          HD2   PRO   68 - HN    ASN   69   2.76 +/- 0.53  99.970% * 99.1839% (0.80   5.97  31.86) = 100.000%  kept
          HA    ALA   61 - HN    ASN   69  12.04 +/- 0.78   0.027% *  0.3922% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASN   69  18.49 +/- 1.04   0.002% *  0.2682% (0.65   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ASN   69  19.51 +/- 0.63   0.001% *  0.1556% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 866 (3.33, 8.82, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.97, residual support = 31.9:
          HD3   PRO   68 - HN    ASN   69   3.52 +/- 0.55  99.976% * 98.4652% (0.99   5.97  31.86) = 100.000%  kept
          HB2   PHE   59 - HN    ASN   69  15.90 +/- 1.20   0.017% *  0.2541% (0.76   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASN   69  21.06 +/- 1.11   0.003% *  0.3209% (0.97   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASN   69  22.40 +/- 1.14   0.002% *  0.3209% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASN   69  23.39 +/- 1.02   0.002% *  0.3318% (1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASN   69  26.13 +/- 2.15   0.001% *  0.3070% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.58 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 = 0.549, support = 0.02, residual support = 0.02:
          HA    ALA   64 - HN    ASN   69   6.89 +/- 0.75  78.944% * 14.1837% (0.31   0.02   0.02) =  57.104%  kept
          QE    LYS+  66 - HN    ASN   69   9.09 +/- 1.46  20.767% * 39.8620% (0.87   0.02   0.02) =  42.217%  kept
          HB3   ASN   35 - HN    ASN   69  18.22 +/- 0.90   0.290% * 45.9543% (1.00   0.02   0.02) =   0.679%  kept
    Distance limit 3.79 A violated in 20 structures by 2.76 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 = 27.5:
          HB    VAL   70 - HN    ASN   69   4.52 +/- 0.65  98.544% * 89.1827% (0.15   3.84  27.50) =  99.986%  kept
          QG    GLN   17 - HN    ASN   69   9.97 +/- 0.96   1.201% *  0.5953% (0.20   0.02   0.02) =   0.008%
          HB2   LYS+  38 - HN    ASN   69  13.99 +/- 1.05   0.151% *  2.9816% (0.99   0.02   0.02) =   0.005%
          QB    GLU-  36 - HN    ASN   69  15.67 +/- 1.03   0.069% *  0.5268% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ASN   69  22.52 +/- 1.11   0.009% *  2.4088% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ASN   69  20.56 +/- 0.94   0.014% *  1.2367% (0.41   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ASN   69  24.53 +/- 0.66   0.005% *  0.8364% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   69  28.40 +/- 0.85   0.002% *  1.8246% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ASN   69  25.36 +/- 0.86   0.005% *  0.4071% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 3 structures by 0.26 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.94, support = 6.03, residual support = 31.9:
      O   HB3   PRO   68 - HN    ASN   69   4.14 +/- 0.54  36.980% * 95.4467% (0.99  10.0   6.04  31.86) =  94.007%  kept
          HG2   PRO   68 - HN    ASN   69   3.80 +/- 0.95  57.113% *  3.9329% (0.14   1.0   6.04  31.86) =   5.982%  kept
          QB    GLU-  15 - HN    ASN   69   6.65 +/- 1.11   5.618% *  0.0699% (0.73   1.0   0.02   0.02) =   0.010%
          HB2   GLN   17 - HN    ASN   69  12.27 +/- 1.00   0.097% *  0.0699% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ASN   69  13.88 +/- 2.15   0.043% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASN   69  14.91 +/- 1.17   0.023% *  0.0623% (0.65   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASN   69  12.38 +/- 0.75   0.077% *  0.0169% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASN   69  15.27 +/- 1.09   0.022% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASN   69  16.34 +/- 0.96   0.014% *  0.0835% (0.87   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASN   69  18.53 +/- 1.86   0.007% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASN   69  23.02 +/- 2.44   0.002% *  0.0771% (0.80   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  21.36 +/- 1.10   0.003% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASN   69  25.05 +/- 0.70   0.001% *  0.0507% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASN   69  25.47 +/- 1.52   0.001% *  0.0268% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 5.49, residual support = 31.9:
          HG3   PRO   68 - HN    ASN   69   3.47 +/- 0.46  99.827% * 92.7613% (0.38   5.49  31.86) =  99.999%  kept
          HB3   LYS+  38 - HN    ASN   69  13.32 +/- 1.05   0.043% *  0.8512% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASN   69  13.37 +/- 1.15   0.044% *  0.4380% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASN   69  13.68 +/- 1.04   0.035% *  0.5458% (0.61   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASN   69  15.74 +/- 1.05   0.016% *  0.7205% (0.80   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASN   69  15.87 +/- 0.84   0.014% *  0.7205% (0.80   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASN   69  19.78 +/- 1.10   0.004% *  0.8979% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASN   69  17.54 +/- 0.97   0.008% *  0.4034% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASN   69  18.41 +/- 0.75   0.006% *  0.3699% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASN   69  25.15 +/- 0.91   0.001% *  0.5821% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASN   69  26.40 +/- 0.81   0.001% *  0.6877% (0.76   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASN   69  25.09 +/- 1.63   0.001% *  0.4034% (0.45   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASN   69  27.84 +/- 0.97   0.000% *  0.6181% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 0.722, support = 4.39, residual support = 27.1:
          QG1   VAL   70 - HN    ASN   69   3.72 +/- 0.87  85.608% * 87.7157% (0.73   4.45  27.50) =  98.384%  kept
          QD1   LEU   71 - HN    ASN   69   7.22 +/- 1.83  11.474% * 10.6695% (0.49   0.81   0.02) =   1.604%  kept
          QD1   LEU  123 - HN    ASN   69   9.75 +/- 2.26   2.101% *  0.2645% (0.49   0.02   0.02) =   0.007%
          HB3   LEU   63 - HN    ASN   69   9.16 +/- 1.21   0.611% *  0.5244% (0.97   0.02   0.02) =   0.004%
          QG1   VAL   18 - HN    ASN   69  11.88 +/- 0.84   0.141% *  0.4539% (0.84   0.02   0.02) =   0.001%
          HB3   LEU  104 - HN    ASN   69  13.66 +/- 0.88   0.058% *  0.1075% (0.20   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ASN   69  19.54 +/- 0.94   0.006% *  0.2645% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.04 A, kept.
 
    Peak 872 (3.75, 7.34, 119.88 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.94, residual support = 17.9:
          HD2   PRO   68 - HN    LEU   67   4.21 +/- 0.62  77.374% * 96.2139% (1.00   3.95  17.86) =  99.252%  kept
          HA    VAL   24 - HE3   TRP   27   5.53 +/- 0.85  19.043% *  2.8594% (0.04   2.73  25.95) =   0.726%  kept
          HA    ALA   61 - HN    LEU   67   7.29 +/- 0.26   3.422% *  0.4707% (0.97   0.02   0.02) =   0.021%
          HD3   PRO   58 - HN    LEU   67  13.34 +/- 0.45   0.089% *  0.1505% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HE3   TRP   27  15.79 +/- 0.95   0.038% *  0.0592% (0.12   0.02   0.02) =   0.000%
          HD2   PRO   68 - HE3   TRP   27  17.56 +/- 1.52   0.022% *  0.0612% (0.13   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LEU   67  21.12 +/- 0.85   0.006% *  0.1664% (0.34   0.02   0.02) =   0.000%
          HD3   PRO   58 - HE3   TRP   27  20.73 +/- 1.05   0.007% *  0.0189% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.03 A, kept.
 
    Peak 873 (3.34, 7.34, 119.88 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.03, residual support = 17.9:
          HD3   PRO   68 - HN    LEU   67   3.68 +/- 0.70  99.669% * 97.2228% (0.76   4.03  17.86) =  99.999%  kept
          HB2   PHE   59 - HN    LEU   67  11.04 +/- 0.56   0.241% *  0.2594% (0.41   0.02   0.02) =   0.001%
          QB    PHE   55 - HN    LEU   67  16.73 +/- 0.58   0.018% *  0.4334% (0.69   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   67  18.03 +/- 0.69   0.011% *  0.5968% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   67  19.28 +/- 0.92   0.008% *  0.5052% (0.80   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   67  20.97 +/- 1.78   0.005% *  0.6184% (0.98   0.02   0.02) =   0.000%
          HB3   CYS   53 - HE3   TRP   27  18.02 +/- 1.56   0.013% *  0.0750% (0.12   0.02   0.02) =   0.000%
          HD3   PRO   93 - HE3   TRP   27  18.61 +/- 0.77   0.010% *  0.0635% (0.10   0.02   0.02) =   0.000%
          HD3   PRO   68 - HE3   TRP   27  18.11 +/- 1.19   0.010% *  0.0606% (0.10   0.02   0.02) =   0.000%
          QB    PHE   55 - HE3   TRP   27  20.29 +/- 0.89   0.006% *  0.0545% (0.09   0.02   0.02) =   0.000%
          HB2   PHE   59 - HE3   TRP   27  19.15 +/- 1.13   0.008% *  0.0326% (0.05   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HE3   TRP   27  25.04 +/- 1.81   0.002% *  0.0777% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.03 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.627, support = 1.58, residual support = 4.79:
          HA    ALA   64 - HN    LEU   67   3.30 +/- 0.34  95.066% * 20.3057% (0.65   0.97   3.67) =  83.411%  kept
          QE    LYS+  66 - HN    LEU   67   5.82 +/- 0.57   4.860% * 78.9917% (0.53   4.65  10.43) =  16.588%  kept
          HB3   ASN   35 - HE3   TRP   27  12.30 +/- 0.99   0.044% *  0.0678% (0.10   0.02   0.02) =   0.000%
          HA    ALA   64 - HE3   TRP   27  13.96 +/- 1.00   0.026% *  0.0525% (0.08   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LEU   67  21.72 +/- 0.84   0.001% *  0.5395% (0.84   0.02   0.02) =   0.000%
          QE    LYS+  66 - HE3   TRP   27  19.95 +/- 1.03   0.002% *  0.0427% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 875 (1.98, 7.34, 119.88 ppm):
    18 chemical-shift based assignments, quality = 0.607, support = 4.83, residual support = 57.4:
      O   HB2   LEU   67 - HN    LEU   67   2.66 +/- 0.38  97.722% * 99.1951% (0.61  10.0   4.83  57.38) =  99.998%  kept
          HG2   PRO   68 - HN    LEU   67   5.67 +/- 0.75   1.732% *  0.1058% (0.65   1.0   0.02  17.86) =   0.002%
          HB    ILE   19 - HE3   TRP   27   7.66 +/- 1.10   0.395% *  0.0116% (0.07   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU   67  10.25 +/- 1.08   0.047% *  0.0558% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU   67  12.21 +/- 0.87   0.014% *  0.0926% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LEU   67  14.15 +/- 0.54   0.006% *  0.1578% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LEU   67  14.94 +/- 1.62   0.006% *  0.1547% (0.95   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    LEU   67  15.56 +/- 1.74   0.005% *  0.0796% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27   9.93 +/- 0.62   0.050% *  0.0041% (0.02   1.0   0.02   0.53) =   0.000%
          HB    VAL   18 - HE3   TRP   27  12.35 +/- 0.94   0.015% *  0.0070% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  15.06 +/- 1.17   0.004% *  0.0125% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   67  20.64 +/- 0.98   0.001% *  0.0252% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  19.00 +/- 1.29   0.001% *  0.0133% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  21.00 +/- 1.30   0.001% *  0.0194% (0.12   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  19.18 +/- 1.37   0.001% *  0.0100% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  23.08 +/- 0.97   0.000% *  0.0198% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  25.23 +/- 0.76   0.000% *  0.0324% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  23.61 +/- 1.32   0.000% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.941, support = 4.45, residual support = 10.2:
          QB    LYS+  66 - HN    LEU   67   3.05 +/- 0.30  89.022% * 77.4867% (0.95   4.53  10.43) =  97.370%  kept
          QB    LYS+  65 - HN    LEU   67   4.65 +/- 0.23   9.131% * 20.3962% (0.76   1.47   0.02) =   2.629%  kept
          HB    VAL   41 - HE3   TRP   27   7.01 +/- 1.30   1.132% *  0.0364% (0.10   0.02   0.02) =   0.001%
          HB2   LEU   71 - HN    LEU   67  10.35 +/- 1.01   0.082% *  0.2628% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   71 - HE3   TRP   27   8.38 +/- 1.59   0.377% *  0.0330% (0.09   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU   67  10.44 +/- 1.21   0.072% *  0.1358% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   67  10.01 +/- 0.95   0.104% *  0.0806% (0.22   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU   67  14.36 +/- 0.41   0.009% *  0.2898% (0.80   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   67  17.36 +/- 0.91   0.003% *  0.3587% (0.99   0.02   0.02) =   0.000%
          HG12  ILE  103 - HE3   TRP   27  11.55 +/- 0.73   0.033% *  0.0294% (0.08   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   67  17.55 +/- 1.20   0.003% *  0.3139% (0.87   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   67  17.21 +/- 1.26   0.003% *  0.2341% (0.65   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HE3   TRP   27  14.29 +/- 1.18   0.010% *  0.0395% (0.11   0.02   0.02) =   0.000%
          QB    LYS+  66 - HE3   TRP   27  17.25 +/- 0.82   0.003% *  0.0430% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  65 - HE3   TRP   27  17.24 +/- 0.86   0.003% *  0.0348% (0.10   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   67  21.90 +/- 1.41   0.001% *  0.1358% (0.38   0.02   0.02) =   0.000%
          HG2   PRO   93 - HE3   TRP   27  18.24 +/- 0.75   0.002% *  0.0451% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  15.23 +/- 1.21   0.007% *  0.0101% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  22.07 +/- 0.94   0.001% *  0.0171% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  23.99 +/- 1.68   0.000% *  0.0171% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.486, support = 4.64, residual support = 54.1:
      O   HB3   LEU   67 - HN    LEU   67   3.35 +/- 0.47  51.995% * 38.9575% (0.25  10.0   4.12  57.38) =  63.000%  kept
          HG    LEU   67 - HN    LEU   67   4.16 +/- 0.80  22.126% * 43.7565% (1.00   1.0   5.61  57.38) =  30.112%  kept
          QG    LYS+  66 - HN    LEU   67   4.24 +/- 0.45  13.558% * 16.3229% (0.41   1.0   5.08  10.43) =   6.883%  kept
          HG    LEU   73 - HE3   TRP   27   4.62 +/- 0.96  11.536% *  0.0119% (0.08   1.0   0.02  14.34) =   0.004%
          HG    LEU   40 - HN    LEU   67  10.27 +/- 0.82   0.077% *  0.1549% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   67   7.48 +/- 0.21   0.429% *  0.0241% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU   67  10.10 +/- 0.85   0.089% *  0.0700% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   67  10.85 +/- 0.81   0.047% *  0.1073% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   67  13.64 +/- 1.61   0.015% *  0.1549% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   67  12.76 +/- 1.03   0.021% *  0.0948% (0.61   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   67  13.77 +/- 1.80   0.014% *  0.1073% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HE3   TRP   27  11.77 +/- 1.41   0.036% *  0.0195% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE3   TRP   27  12.24 +/- 0.96   0.024% *  0.0088% (0.06   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   67  20.80 +/- 1.64   0.001% *  0.1134% (0.73   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HE3   TRP   27  15.71 +/- 1.36   0.006% *  0.0196% (0.13   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  16.22 +/- 1.54   0.005% *  0.0143% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  15.18 +/- 1.60   0.008% *  0.0049% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  19.70 +/- 1.39   0.001% *  0.0195% (0.12   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  14.88 +/- 0.86   0.007% *  0.0030% (0.02   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  18.39 +/- 0.95   0.002% *  0.0081% (0.05   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  20.10 +/- 0.99   0.001% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  21.53 +/- 1.81   0.001% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 878 (0.96, 7.34, 119.88 ppm):
    14 chemical-shift based assignments, quality = 0.308, support = 3.99, residual support = 57.2:
          QD1   LEU   67 - HN    LEU   67   3.76 +/- 0.56  84.509% * 92.9171% (0.31   4.00  57.38) =  99.751%  kept
          QD2   LEU   71 - HN    LEU   67   8.26 +/- 1.75   7.894% *  1.4535% (0.97   0.02   0.02) =   0.146%
          QG2   ILE  119 - HN    LEU   67   6.62 +/- 1.18   5.194% *  1.4535% (0.97   0.02   0.02) =   0.096%
          QD2   LEU   40 - HN    LEU   67   9.47 +/- 0.82   0.483% *  0.4187% (0.28   0.02   0.02) =   0.003%
          QD2   LEU   71 - HE3   TRP   27   8.71 +/- 1.19   0.780% *  0.1827% (0.12   0.02   0.02) =   0.002%
          QD1   ILE  103 - HE3   TRP   27  10.08 +/- 0.77   0.301% *  0.1889% (0.13   0.02   0.02) =   0.001%
          QD1   ILE  103 - HN    LEU   67  15.61 +/- 1.25   0.023% *  1.5027% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   67  14.20 +/- 1.27   0.042% *  0.7924% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   40 - HE3   TRP   27  10.08 +/- 1.13   0.411% *  0.0526% (0.03   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    LEU   67  14.59 +/- 1.14   0.033% *  0.6192% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HE3   TRP   27  11.20 +/- 0.62   0.145% *  0.0996% (0.07   0.02   0.02) =   0.000%
          QG2   ILE  103 - HE3   TRP   27  12.13 +/- 0.53   0.089% *  0.0778% (0.05   0.02   0.02) =   0.000%
          QD1   LEU   67 - HE3   TRP   27  12.69 +/- 1.29   0.082% *  0.0584% (0.04   0.02   0.02) =   0.000%
          QG2   ILE  119 - HE3   TRP   27  16.81 +/- 1.66   0.015% *  0.1827% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.14 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 6.15, residual support = 26.1:
      O   HA    LYS+  65 - HN    LYS+  66   3.56 +/- 0.04  98.700% * 98.9277% (0.61  10.0   6.15  26.12) =  99.998%  kept
          HA2   GLY   16 - HN    LYS+  66   8.12 +/- 1.03   0.999% *  0.1120% (0.69   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    LYS+  66  10.46 +/- 1.29   0.203% *  0.1574% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  66  13.10 +/- 1.64   0.053% *  0.1463% (0.90   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  66  13.83 +/- 1.10   0.032% *  0.0923% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  66  17.45 +/- 0.86   0.007% *  0.1543% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  66  21.16 +/- 1.14   0.002% *  0.1617% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  66  21.88 +/- 0.80   0.002% *  0.1362% (0.84   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  66  25.12 +/- 0.61   0.001% *  0.1120% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 5.5:
          HA    LEU   63 - HN    LYS+  66   3.36 +/- 0.21  99.997% * 98.5887% (0.99   1.60   5.50) = 100.000%  kept
          HA2   GLY  101 - HN    LYS+  66  21.57 +/- 0.63   0.002% *  0.5574% (0.45   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+  66  23.21 +/- 0.94   0.001% *  0.8540% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.854, support = 3.95, residual support = 20.5:
          HA    ALA   64 - HN    LYS+  66   4.25 +/- 0.23  68.919% * 74.6273% (0.95   3.75   6.57) =  87.223%  kept
          QE    LYS+  66 - HN    LYS+  66   4.95 +/- 0.45  30.044% * 25.0740% (0.22   5.35 115.71) =  12.775%  kept
          HB2   PHE   72 - HN    LYS+  66   8.70 +/- 0.68   1.035% *  0.0938% (0.22   0.02   0.14) =   0.002%
          HB3   ASN   35 - HN    LYS+  66  23.78 +/- 0.82   0.002% *  0.2050% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.74 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 = 0.678, support = 5.07, residual support = 107.5:
      O   QB    LYS+  66 - HN    LYS+  66   2.25 +/- 0.09  82.104% * 68.1500% (0.65  10.0   4.97 115.71) =  90.879%  kept
          QB    LYS+  65 - HN    LYS+  66   2.92 +/- 0.16  17.878% * 31.4119% (0.99   1.0   6.02  26.12) =   9.121%  kept
          HB3   GLN   17 - HN    LYS+  66  10.27 +/- 1.15   0.012% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  66  12.22 +/- 1.13   0.004% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  66  16.62 +/- 1.02   0.001% *  0.0945% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  66  16.14 +/- 0.42   0.001% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  19.04 +/- 1.14   0.000% *  0.1051% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  18.58 +/- 1.27   0.000% *  0.0325% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 0.252, support = 4.32, residual support = 101.2:
          QG    LYS+  66 - HN    LYS+  66   3.03 +/- 0.50  95.367% * 21.4861% (0.15   4.56 115.71) =  86.240%  kept
          HG    LEU   67 - HN    LYS+  66   6.01 +/- 0.95   4.335% * 75.3924% (0.87   2.85  10.43) =  13.754%  kept
          QB    ALA  120 - HN    LYS+  66  10.45 +/- 1.02   0.113% *  0.5895% (0.97   0.02   0.02) =   0.003%
          HG    LEU  115 - HN    LYS+  66  12.62 +/- 1.75   0.053% *  0.5895% (0.97   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LYS+  66  12.72 +/- 1.79   0.035% *  0.4668% (0.76   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LYS+  66  12.25 +/- 0.86   0.034% *  0.4891% (0.80   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LYS+  66  12.25 +/- 0.80   0.033% *  0.4668% (0.76   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    LYS+  66  14.00 +/- 0.90   0.014% *  0.1698% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  66  13.82 +/- 0.79   0.015% *  0.1209% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LYS+  66  22.54 +/- 1.58   0.001% *  0.2292% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.10 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.07, residual support = 6.57:
          QB    ALA   64 - HN    LYS+  66   4.49 +/- 0.17 100.000% *100.0000% (0.95   3.07   6.57) = 100.000%  kept
    Distance limit 4.39 A violated in 0 structures by 0.13 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.09, residual support = 164.9:
      O   HA    LYS+  65 - HN    LYS+  65   2.84 +/- 0.03  99.579% * 99.3218% (0.64  10.0   6.09 164.85) = 100.000%  kept
          HA2   GLY   16 - HN    LYS+  65   7.49 +/- 0.82   0.385% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    LYS+  65  12.26 +/- 1.12   0.018% *  0.1018% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  65  14.86 +/- 1.44   0.006% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  65  16.39 +/- 0.68   0.003% *  0.0696% (0.45   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  14.72 +/- 0.91   0.006% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  65  19.33 +/- 1.13   0.001% *  0.0822% (0.53   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  65  20.26 +/- 0.80   0.001% *  0.0524% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  19.17 +/- 0.67   0.001% *  0.0367% (0.24   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  24.03 +/- 0.52   0.000% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  23.12 +/- 0.89   0.000% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  24.81 +/- 0.66   0.000% *  0.0188% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 4.74, residual support = 28.0:
      O   HA    ALA   64 - HN    LYS+  65   3.57 +/- 0.03  95.260% * 99.9016% (0.65  10.0   4.74  27.95) =  99.999%  kept
          QE    LYS+  66 - HN    LYS+  65   6.73 +/- 0.79   3.177% *  0.0235% (0.15   1.0   0.02  26.12) =   0.001%
          HB2   PHE   72 - HN    LYS+  65   7.30 +/- 0.63   1.562% *  0.0235% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LYS+  65  23.63 +/- 0.85   0.001% *  0.0514% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (1.82, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.526, support = 6.67, residual support = 164.1:
      O   QB    LYS+  65 - HN    LYS+  65   2.19 +/- 0.11  98.248% * 78.1824% (0.53  10.0   6.70 164.85) =  99.531%  kept
          QB    LYS+  66 - HN    LYS+  65   4.37 +/- 0.18   1.698% * 21.3055% (0.65   1.0   4.40  26.12) =   0.469%
          HB3   GLN   17 - HN    LYS+  65   8.54 +/- 1.06   0.042% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  65  11.91 +/- 0.95   0.005% *  0.0743% (0.50   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  11.78 +/- 1.24   0.005% *  0.0384% (0.26   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  65  15.76 +/- 0.92   0.001% *  0.1014% (0.68   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  65  15.93 +/- 0.55   0.001% *  0.0819% (0.55   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  19.68 +/- 1.04   0.000% *  0.0887% (0.60   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  18.74 +/- 1.04   0.000% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  19.68 +/- 1.32   0.000% *  0.0384% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.79 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 = 0.138, support = 5.38, residual support = 163.8:
          HG2   LYS+  65 - HN    LYS+  65   3.19 +/- 0.47  97.342% * 74.7309% (0.14   5.41 164.85) =  99.385%  kept
          HG    LEU   67 - HN    LYS+  65   7.15 +/- 0.96   2.377% * 18.8417% (0.36   0.51   0.02) =   0.612%  kept
          QB    ALA  120 - HN    LYS+  65  11.80 +/- 0.88   0.049% *  1.3211% (0.65   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+  65  12.78 +/- 1.65   0.042% *  1.3211% (0.65   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LYS+  65  12.86 +/- 0.92   0.033% *  1.3934% (0.69   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HN    LYS+  65  11.73 +/- 0.81   0.057% *  0.6798% (0.34   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LYS+  65  12.65 +/- 1.65   0.040% *  0.5741% (0.28   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LYS+  65  12.85 +/- 0.73   0.029% *  0.5741% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+  65  14.01 +/- 2.14   0.022% *  0.2155% (0.11   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  65  15.64 +/- 0.84   0.009% *  0.3482% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.03 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.221, support = 4.85, residual support = 140.9:
          HG3   LYS+  65 - HN    LYS+  65   3.42 +/- 0.58  86.695% * 43.7004% (0.17   5.32 164.85) =  85.313%  kept
          HB2   LEU   63 - HN    LYS+  65   5.00 +/- 0.29  12.846% * 50.7606% (0.50   2.12   1.46) =  14.683%  kept
          HB3   ASP-  44 - HN    LYS+  65  10.29 +/- 0.61   0.139% *  0.5507% (0.58   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    LYS+  65  12.60 +/- 1.40   0.061% *  0.6237% (0.65   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  65  10.18 +/- 0.41   0.153% *  0.1644% (0.17   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    LYS+  65  13.91 +/- 0.82   0.025% *  0.6535% (0.68   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+  65  12.98 +/- 0.85   0.038% *  0.2035% (0.21   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  65  16.51 +/- 0.86   0.009% *  0.6535% (0.68   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  65  18.67 +/- 0.63   0.004% *  0.6579% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  65  17.54 +/- 1.15   0.006% *  0.3469% (0.36   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  65  17.56 +/- 1.47   0.007% *  0.2711% (0.28   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  65  20.93 +/- 0.99   0.002% *  0.3999% (0.42   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  65  19.81 +/- 1.38   0.003% *  0.2475% (0.26   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LYS+  65  17.43 +/- 1.08   0.006% *  0.1155% (0.12   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LYS+  65  21.11 +/- 0.99   0.002% *  0.2956% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  65  19.17 +/- 1.22   0.003% *  0.1305% (0.14   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  65  23.38 +/- 1.40   0.001% *  0.2249% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 891 (0.40, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.654, support = 4.74, residual support = 28.0:
          QB    ALA   64 - HN    LYS+  65   2.80 +/- 0.17 100.000% *100.0000% (0.65   4.74  27.95) = 100.000%  kept
    Distance limit 3.34 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 = 7.53:
          HA    ALA   61 - HN    ALA   64   3.41 +/- 0.17  98.917% * 95.1123% (0.95   0.75   7.54) =  99.976%  kept
          HD2   PRO   68 - HN    ALA   64   8.05 +/- 0.93   0.882% *  2.1470% (0.80   0.02   0.02) =   0.020%
          HD3   PRO   58 - HN    ALA   64   9.90 +/- 0.39   0.180% *  1.7345% (0.65   0.02   0.02) =   0.003%
          HA    VAL   75 - HN    ALA   64  14.32 +/- 0.68   0.022% *  1.0063% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 4.23, residual support = 20.8:
      O   HA    ALA   64 - HN    ALA   64   2.82 +/- 0.03  98.460% * 99.9016% (0.95  10.0   4.23  20.80) = 100.000%  kept
          HB2   PHE   72 - HN    ALA   64   6.04 +/- 0.63   1.274% *  0.0235% (0.22   1.0   0.02  39.24) =   0.000%
          QE    LYS+  66 - HN    ALA   64   7.75 +/- 0.64   0.266% *  0.0235% (0.22   1.0   0.02   6.57) =   0.000%
          HB3   ASN   35 - HN    ALA   64  22.37 +/- 0.77   0.000% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 894 (1.80, 6.46, 118.53 ppm):
    9 chemical-shift based assignments, quality = 0.875, support = 4.68, residual support = 26.2:
          QB    LYS+  65 - HN    ALA   64   4.39 +/- 0.21  67.523% * 82.4913% (0.92   4.87  27.95) =  91.820%  kept
          QB    LYS+  66 - HN    ALA   64   5.05 +/- 0.33  30.757% * 16.1166% (0.34   2.58   6.57) =   8.171%  kept
          HB3   GLN   17 - HN    ALA   64   9.21 +/- 0.81   0.962% *  0.3065% (0.84   0.02   2.44) =   0.005%
          HB2   LEU   71 - HN    ALA   64  10.65 +/- 1.18   0.557% *  0.3471% (0.95   0.02   0.02) =   0.003%
          HG2   PRO   93 - HN    ALA   64  13.78 +/- 0.95   0.077% *  0.2225% (0.61   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    ALA   64  14.12 +/- 0.61   0.064% *  0.0726% (0.20   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    ALA   64  18.09 +/- 0.95   0.015% *  0.3065% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ALA   64  15.35 +/- 1.00   0.041% *  0.0726% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ALA   64  21.71 +/- 0.82   0.005% *  0.0643% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 0.723, support = 7.27, residual support = 54.4:
          HB2   LEU   63 - HN    ALA   64   2.94 +/- 0.30  95.653% * 81.7666% (0.73   7.29  54.62) =  99.271%  kept
          HG3   LYS+  65 - HN    ALA   64   5.54 +/- 0.76   3.662% * 15.6379% (0.25   4.06  27.95) =   0.727%  kept
          HB3   ASP-  44 - HN    ALA   64   7.98 +/- 0.63   0.322% *  0.2581% (0.84   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   64   8.41 +/- 0.57   0.229% *  0.0770% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   64  11.88 +/- 0.85   0.030% *  0.3062% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   64  13.05 +/- 1.27   0.019% *  0.2923% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   64  11.20 +/- 0.94   0.048% *  0.0954% (0.31   0.02   0.22) =   0.000%
          HG    LEU   98 - HN    ALA   64  14.44 +/- 0.94   0.009% *  0.3062% (0.99   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   64  16.75 +/- 0.61   0.003% *  0.3083% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   64  15.35 +/- 1.09   0.006% *  0.1626% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   64  16.48 +/- 1.33   0.004% *  0.1270% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   64  18.81 +/- 0.95   0.002% *  0.1874% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   64  18.01 +/- 1.52   0.003% *  0.1160% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   64  16.24 +/- 1.12   0.004% *  0.0541% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   64  19.39 +/- 0.89   0.001% *  0.1385% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   64  18.21 +/- 1.01   0.002% *  0.0611% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   64  21.59 +/- 1.33   0.001% *  0.1054% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 6.81, residual support = 54.6:
          HG    LEU   63 - HN    ALA   64   4.41 +/- 0.97  86.451% * 98.5966% (0.53   6.81  54.62) =  99.982%  kept
          QD1   ILE  119 - HN    ALA   64   6.37 +/- 1.03  13.142% *  0.1089% (0.20   0.02   0.02) =   0.017%
          QG2   VAL  108 - HN    ALA   64  13.43 +/- 0.87   0.150% *  0.3336% (0.61   0.02   0.02) =   0.001%
          HB2   LEU  104 - HN    ALA   64  14.02 +/- 1.13   0.152% *  0.2466% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    ALA   64  16.38 +/- 2.00   0.073% *  0.5078% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    ALA   64  17.77 +/- 0.54   0.032% *  0.2065% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.29 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.73, residual support = 54.6:
          HB3   LEU   63 - HN    ALA   64   3.32 +/- 0.55  93.014% * 99.3322% (0.97   6.73  54.62) =  99.990%  kept
          QG1   VAL   70 - HN    ALA   64   6.87 +/- 1.49   4.237% *  0.1258% (0.41   0.02   0.02) =   0.006%
          QG1   VAL   18 - HN    ALA   64   7.24 +/- 0.86   1.754% *  0.1609% (0.53   0.02   8.55) =   0.003%
          QD1   LEU  123 - HN    ALA   64   8.88 +/- 1.30   0.674% *  0.0681% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    ALA   64   9.33 +/- 1.71   0.303% *  0.0681% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ALA   64  14.80 +/- 0.72   0.018% *  0.2449% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.05 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.823, support = 6.08, residual support = 54.6:
          QD2   LEU   63 - HN    ALA   64   4.35 +/- 0.52  48.330% * 59.8493% (1.00   5.69  54.62) =  59.150%  kept
          QD1   LEU   63 - HN    ALA   64   4.31 +/- 0.31  50.403% * 39.6316% (0.57   6.65  54.62) =  40.848%  kept
          QD2   LEU  115 - HN    ALA   64   9.11 +/- 1.13   0.733% *  0.0525% (0.25   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    ALA   64  10.76 +/- 0.46   0.229% *  0.1191% (0.57   0.02   0.22) =   0.001%
          QG2   VAL   41 - HN    ALA   64  12.00 +/- 0.86   0.129% *  0.1276% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ALA   64  12.49 +/- 1.20   0.112% *  0.0865% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   64  15.63 +/- 0.90   0.025% *  0.0865% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   64  14.57 +/- 0.64   0.037% *  0.0468% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.02 A, kept.
 
    Peak 899 (0.40, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.23, residual support = 20.8:
      O   QB    ALA   64 - HN    ALA   64   2.02 +/- 0.07 100.000% *100.0000% (0.95  10.0   4.23  20.80) = 100.000%  kept
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (4.22, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 42.4:
      O   HA    ASP-  62 - HN    LEU   63   3.60 +/- 0.03  99.926% * 99.8321% (0.97  10.0   5.24  42.42) = 100.000%  kept
          HA    SER  117 - HN    LEU   63  12.28 +/- 0.87   0.071% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LEU   63  20.65 +/- 0.81   0.003% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LEU   63  25.41 +/- 0.71   0.001% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (3.93, 7.59, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 1.5, residual support = 11.7:
          HA    PHE   60 - HN    LEU   63   3.45 +/- 0.18  99.625% * 92.4872% (0.69   1.50  11.69) =  99.996%  kept
          QB    SER  117 - HN    LEU   63  11.72 +/- 0.86   0.076% *  1.7794% (0.99   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    LEU   63  10.12 +/- 1.11   0.208% *  0.6124% (0.34   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    LEU   63  12.68 +/- 1.30   0.051% *  1.3720% (0.76   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LEU   63  13.82 +/- 0.76   0.028% *  1.2332% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU   63  17.92 +/- 0.74   0.005% *  1.4995% (0.84   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU   63  18.03 +/- 1.13   0.006% *  1.0164% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 7.46, residual support = 240.5:
      O   HA    LEU   63 - HN    LEU   63   2.80 +/- 0.03  99.999% * 99.8508% (0.76  10.0   7.46 240.48) = 100.000%  kept
          HA2   GLY  101 - HN    LEU   63  21.43 +/- 0.68   0.001% *  0.1046% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LEU   63  22.26 +/- 0.75   0.000% *  0.0446% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (2.65, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.24, residual support = 42.4:
          HB2   ASP-  62 - HN    LEU   63   3.58 +/- 0.45  99.947% * 99.7488% (0.98   5.24  42.42) = 100.000%  kept
          HB2   PRO   52 - HN    LEU   63  15.45 +/- 1.08   0.020% *  0.1743% (0.45   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    LEU   63  14.09 +/- 0.70   0.033% *  0.0769% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.05 A, kept.
 
    Peak 904 (2.45, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.24, residual support = 42.4:
          HB3   ASP-  62 - HN    LEU   63   2.87 +/- 0.41  99.992% * 98.9506% (0.95   5.24  42.42) = 100.000%  kept
          HG3   MET   96 - HN    LEU   63  15.01 +/- 0.64   0.007% *  0.3688% (0.92   0.02   0.96) =   0.000%
          HB3   ASP-  86 - HN    LEU   63  22.54 +/- 0.93   0.001% *  0.2262% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    LEU   63  25.42 +/- 2.08   0.000% *  0.2901% (0.73   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    LEU   63  24.98 +/- 1.04   0.000% *  0.1642% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.02 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 7.82, residual support = 240.5:
      O   HB2   LEU   63 - HN    LEU   63   2.10 +/- 0.10  99.795% * 98.8228% (0.73  10.0   7.82 240.48) = 100.000%  kept
          HG3   LYS+  65 - HN    LEU   63   6.41 +/- 0.69   0.154% *  0.0339% (0.25   1.0   0.02   1.46) =   0.000%
          HB3   ASP-  44 - HN    LEU   63   8.58 +/- 0.63   0.025% *  0.1137% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   63  10.77 +/- 0.89   0.007% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   63  12.37 +/- 1.18   0.003% *  0.1287% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   63  10.05 +/- 0.80   0.009% *  0.0339% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   63  15.33 +/- 1.00   0.001% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   63  13.14 +/- 1.03   0.002% *  0.0420% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   63  14.00 +/- 1.39   0.001% *  0.0559% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  14.91 +/- 1.06   0.001% *  0.0716% (0.53   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  17.10 +/- 0.64   0.000% *  0.1358% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  16.06 +/- 1.38   0.001% *  0.0511% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  19.90 +/- 0.91   0.000% *  0.0825% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  17.30 +/- 1.05   0.000% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  21.25 +/- 0.71   0.000% *  0.0610% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  22.19 +/- 1.39   0.000% *  0.0464% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  20.55 +/- 1.00   0.000% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (1.07, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 7.41, residual support = 240.5:
          HG    LEU   63 - HN    LEU   63   3.25 +/- 0.34  99.423% * 99.4933% (1.00   7.41 240.48) = 100.000%  kept
          QG1   VAL  107 - HN    LEU   63   8.10 +/- 0.79   0.528% *  0.0472% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    LEU   63  13.92 +/- 2.01   0.046% *  0.1955% (0.73   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LEU   63  19.02 +/- 0.55   0.003% *  0.2640% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.17 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.48, residual support = 240.5:
      O   HB3   LEU   63 - HN    LEU   63   3.36 +/- 0.12  97.316% * 99.7743% (0.97  10.0   7.48 240.48) =  99.999%  kept
          QG1   VAL   70 - HN    LEU   63   8.19 +/- 1.41   0.802% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    LEU   63   7.56 +/- 1.20   1.153% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    LEU   63   8.89 +/- 0.78   0.366% *  0.0544% (0.53   1.0   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU   63  11.02 +/- 2.26   0.343% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   63  13.95 +/- 0.66   0.020% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (0.58, 7.59, 120.97 ppm):
    9 chemical-shift based assignments, quality = 0.877, support = 6.83, residual support = 240.5:
          QD1   LEU   63 - HN    LEU   63   3.44 +/- 0.41  68.814% * 47.8891% (0.90   6.51 240.48) =  68.608%  kept
          QD2   LEU   63 - HN    LEU   63   4.02 +/- 0.53  29.196% * 51.6379% (0.84   7.54 240.48) =  31.388%  kept
          QD2   LEU  115 - HN    LEU   63   7.08 +/- 1.12   1.859% *  0.0929% (0.57   0.02   0.02) =   0.004%
          QD1   LEU   73 - HN    LEU   63  12.39 +/- 0.55   0.036% *  0.1471% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   63  12.63 +/- 1.04   0.030% *  0.0506% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   63  13.29 +/- 0.84   0.027% *  0.0456% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   63  15.74 +/- 0.63   0.008% *  0.0863% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   63  13.36 +/- 1.19   0.024% *  0.0253% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   63  16.74 +/- 0.96   0.006% *  0.0253% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 909 (2.65, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.845, support = 3.84, residual support = 41.0:
      O   HB2   ASP-  62 - HN    ASP-  62   2.80 +/- 0.43  99.984% * 99.9341% (0.84  10.0   3.84  41.03) = 100.000%  kept
          HB2   PRO   52 - HN    ASP-  62  14.81 +/- 0.89   0.007% *  0.0457% (0.39   1.0   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  14.41 +/- 0.70   0.008% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.10 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   2.37 +/- 0.32  99.999% * 99.7231% (0.82  10.0   3.84  41.03) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  62  16.90 +/- 0.48   0.001% *  0.0973% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    ASP-  62  23.78 +/- 0.72   0.000% *  0.0597% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  62  27.32 +/- 2.09   0.000% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  26.30 +/- 1.19   0.000% *  0.0433% (0.35   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 911 (1.84, 7.86, 120.86 ppm):
    14 chemical-shift based assignments, quality = 0.367, support = 0.0198, residual support = 0.0198:
          QB    LYS+  66 - HN    ASP-  62   6.01 +/- 0.30  91.174% *  5.0993% (0.32   0.02   0.02) =  85.861%  kept
          HG    LEU  123 - HN    ASP-  62  11.25 +/- 1.21   2.955% * 12.8527% (0.82   0.02   0.02) =   7.015%  kept
          HG3   PRO   68 - HN    ASP-  62  12.39 +/- 1.09   1.538% *  8.7895% (0.56   0.02   0.02) =   2.496%  kept
          HG2   ARG+  54 - HN    ASP-  62  13.15 +/- 1.31   1.042% *  7.6923% (0.49   0.02   0.02) =   1.480%  kept
          HB3   ASP- 105 - HN    ASP-  62  14.07 +/- 1.19   0.657% *  7.1484% (0.45   0.02   0.02) =   0.868%  kept
          HB3   PRO   52 - HN    ASP-  62  15.84 +/- 1.33   0.323% * 12.8527% (0.82   0.02   0.02) =   0.766%  kept
          HG2   PRO   93 - HN    ASP-  62  12.35 +/- 0.91   1.316% *  2.3795% (0.15   0.02   0.02) =   0.578%  kept
          QB    LYS+ 106 - HN    ASP-  62  14.14 +/- 0.59   0.549% *  3.3879% (0.21   0.02   0.02) =   0.344%
          HB    VAL   41 - HN    ASP-  62  17.78 +/- 0.69   0.144% *  7.6923% (0.49   0.02   0.02) =   0.205%
          HG12  ILE  103 - HN    ASP-  62  19.20 +/- 0.98   0.090% *  9.8662% (0.63   0.02   0.02) =   0.163%
          HB    ILE  103 - HN    ASP-  62  20.77 +/- 0.80   0.056% *  8.2409% (0.52   0.02   0.02) =   0.085%
          QB    LYS+  33 - HN    ASP-  62  20.11 +/- 0.85   0.071% *  5.5858% (0.35   0.02   0.02) =   0.073%
          HB3   GLN   90 - HN    ASP-  62  21.39 +/- 0.76   0.046% *  4.6346% (0.29   0.02   0.02) =   0.040%
          QB    LYS+  81 - HN    ASP-  62  22.14 +/- 0.90   0.039% *  3.7777% (0.24   0.02   0.02) =   0.027%
    Distance limit 4.22 A violated in 20 structures by 1.70 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 = 8.31:
          QB    ALA   61 - HN    ASP-  62   2.81 +/- 0.18  98.085% * 94.7960% (0.80   2.79   8.31) =  99.991%  kept
          QG    LYS+  66 - HN    ASP-  62   6.06 +/- 1.05   1.773% *  0.4468% (0.52   0.02   0.02) =   0.009%
          HB3   LEU   67 - HN    ASP-  62   9.76 +/- 0.85   0.070% *  0.5898% (0.69   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ASP-  62  11.29 +/- 1.87   0.032% *  0.7366% (0.86   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  12.91 +/- 1.23   0.015% *  0.3585% (0.42   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  14.36 +/- 1.35   0.007% *  0.7301% (0.85   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  14.34 +/- 1.75   0.009% *  0.3875% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  14.54 +/- 0.67   0.006% *  0.3028% (0.35   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  20.23 +/- 1.30   0.001% *  0.7349% (0.86   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.82 +/- 0.53   0.002% *  0.1837% (0.21   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  20.87 +/- 0.96   0.001% *  0.5060% (0.59   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  24.47 +/- 1.35   0.000% *  0.2273% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.845, support = 1.6, residual support = 3.26:
          QB    LYS+  65 - HN    LEU   63   4.67 +/- 0.35  47.705% * 54.8580% (0.76   1.93   1.46) =  55.407%  kept
          QB    LYS+  66 - HN    LEU   63   4.59 +/- 0.33  50.833% * 41.4243% (0.95   1.18   5.50) =  44.582%  kept
          HG    LEU  123 - HN    LEU   63  10.10 +/- 1.30   0.822% *  0.2787% (0.38   0.02   0.02) =   0.005%
          HB2   LEU   71 - HN    LEU   63  12.68 +/- 1.61   0.199% *  0.5393% (0.73   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    LEU   63  12.37 +/- 0.97   0.139% *  0.7361% (0.99   0.02   0.02) =   0.002%
          HB3   GLN   17 - HN    LEU   63  11.61 +/- 0.87   0.213% *  0.1654% (0.22   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LEU   63  15.67 +/- 0.63   0.032% *  0.5947% (0.80   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   63  17.05 +/- 1.11   0.020% *  0.4805% (0.65   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   63  18.54 +/- 0.84   0.012% *  0.6442% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   63  16.57 +/- 1.45   0.027% *  0.2787% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 4.98, residual support = 41.9:
      O   HA    PHE   60 - HN    ALA   61   3.64 +/- 0.00  99.807% * 99.3945% (0.69  10.0   4.98  41.93) = 100.000%  kept
          QB    SER  117 - HN    ALA   61  13.66 +/- 0.61   0.037% *  0.1434% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA   61  13.04 +/- 0.55   0.049% *  0.0994% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA   61  14.58 +/- 0.87   0.026% *  0.1209% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ALA   61  13.48 +/- 0.98   0.043% *  0.0494% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA   61  15.11 +/- 1.25   0.024% *  0.0819% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    ALA   61  16.20 +/- 1.04   0.014% *  0.1106% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 2.77, residual support = 18.0:
      O   HA    ALA   61 - HN    ALA   61   2.81 +/- 0.03  98.405% * 99.8077% (0.95  10.0   2.77  18.01) =  99.999%  kept
          HD3   PRO   58 - HN    ALA   61   5.63 +/- 0.28   1.574% *  0.0683% (0.65   1.0   0.02   1.00) =   0.001%
          HD2   PRO   68 - HN    ALA   61  12.53 +/- 1.04   0.014% *  0.0845% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA   61  14.06 +/- 0.94   0.007% *  0.0396% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.41, 7.72, 117.18 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.91, residual support = 41.9:
          HB2   PHE   60 - HN    ALA   61   2.74 +/- 0.32  99.892% * 99.4690% (0.84   4.91  41.93) = 100.000%  kept
          HB    THR   46 - HN    ALA   61   9.07 +/- 0.85   0.106% *  0.0960% (0.20   0.02   0.02) =   0.000%
          HB2   TRP   87 - HN    ALA   61  18.43 +/- 0.90   0.001% *  0.4350% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 4.98, residual support = 41.9:
          HB3   PHE   60 - HN    ALA   61   3.31 +/- 0.71  99.943% * 99.1887% (0.98   4.98  41.93) = 100.000%  kept
          QE    LYS+ 106 - HN    ALA   61  15.59 +/- 1.02   0.018% *  0.3527% (0.87   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   61  14.43 +/- 0.63   0.028% *  0.1672% (0.41   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   61  17.18 +/- 1.07   0.010% *  0.1526% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ALA   61  25.47 +/- 1.29   0.001% *  0.1387% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 918 (1.44, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 4.02, residual support = 18.0:
      O   QB    ALA   61 - HN    ALA   61   2.08 +/- 0.07  99.923% * 99.0576% (0.73  10.0   4.02  18.01) = 100.000%  kept
          QG    LYS+  66 - HN    ALA   61   8.20 +/- 0.97   0.035% *  0.1337% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   61   9.32 +/- 1.39   0.019% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   61  10.96 +/- 0.96   0.006% *  0.1183% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   61  10.42 +/- 2.08   0.010% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   61  11.54 +/- 0.92   0.004% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA   61  13.48 +/- 0.78   0.002% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  13.55 +/- 1.20   0.002% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   61  15.59 +/- 0.96   0.001% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  18.17 +/- 1.40   0.000% *  0.0718% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  24.67 +/- 1.32   0.000% *  0.1290% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 6.1, residual support = 40.3:
          HD3   PRO   58 - HN    PHE   59   2.29 +/- 0.03  99.890% * 99.4992% (0.76   6.10  40.31) = 100.000%  kept
          HA    ALA   61 - HN    PHE   59   7.16 +/- 0.12   0.108% *  0.1136% (0.26   0.02   0.38) =   0.000%
          HA    VAL   75 - HN    PHE   59  16.85 +/- 0.76   0.001% *  0.3213% (0.74   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    PHE   59  14.65 +/- 1.39   0.002% *  0.0659% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 58.5:
      O   HB2   PHE   59 - HN    PHE   59   2.51 +/- 0.48  99.545% * 99.5977% (0.76  10.0   4.37  58.47) = 100.000%  kept
          QB    PHE   55 - HN    PHE   59   7.08 +/- 0.61   0.347% *  0.0951% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    PHE   59   9.57 +/- 0.54   0.049% *  0.0690% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   59  10.79 +/- 1.04   0.029% *  0.0872% (0.67   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    PHE   59  10.73 +/- 1.36   0.024% *  0.0609% (0.47   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   59  14.05 +/- 1.47   0.005% *  0.0901% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 922 (3.17, 7.25, 119.50 ppm):
    3 chemical-shift based assignments, quality = 0.669, support = 4.98, residual support = 58.5:
      O   HB3   PHE   59 - HN    PHE   59   2.45 +/- 0.55  99.939% * 99.9594% (0.67  10.0   4.98  58.47) = 100.000%  kept
          HB2   PHE   95 - HN    PHE   59   9.73 +/- 0.95   0.049% *  0.0178% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   59  17.27 +/- 1.92   0.012% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.04 A, kept.
 
    Peak 923 (2.38, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.192, support = 6.58, residual support = 40.3:
      O   HB2   PRO   58 - HN    PHE   59   3.47 +/- 0.52  99.557% * 98.5251% (0.19  10.0   6.58  40.31) =  99.999%  kept
          HB2   GLN  116 - HN    PHE   59   9.14 +/- 0.94   0.419% *  0.3300% (0.64   1.0   0.02   0.56) =   0.001%
          HB3   PHE   97 - HN    PHE   59  15.10 +/- 0.90   0.020% *  0.2714% (0.53   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   59  20.72 +/- 1.06   0.003% *  0.3164% (0.62   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    PHE   59  25.47 +/- 1.26   0.001% *  0.3647% (0.71   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   59  26.26 +/- 1.12   0.001% *  0.1923% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 924 (2.08, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.756, support = 6.3, residual support = 40.3:
          HG2   PRO   58 - HN    PHE   59   2.74 +/- 0.19  99.776% * 98.7279% (0.76   6.30  40.31) = 100.000%  kept
          HB2   PRO   93 - HN    PHE   59   8.47 +/- 0.80   0.141% *  0.1315% (0.32   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    PHE   59   9.95 +/- 1.02   0.064% *  0.0560% (0.14   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    PHE   59  13.02 +/- 1.09   0.010% *  0.3135% (0.76   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   59  14.24 +/- 1.27   0.006% *  0.0433% (0.10   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    PHE   59  16.84 +/- 1.21   0.002% *  0.0889% (0.21   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    PHE   59  22.25 +/- 1.06   0.000% *  0.3191% (0.77   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    PHE   59  31.15 +/- 2.04   0.000% *  0.3198% (0.77   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.689, support = 6.27, residual support = 40.2:
      O   HB3   PRO   58 - HN    PHE   59   3.89 +/- 0.39  76.063% * 97.6194% (0.69  10.0   6.30  40.31) =  99.351%  kept
          HB    ILE   56 - HN    PHE   59   5.09 +/- 1.00  23.839% *  2.0356% (0.19   1.0   1.50  20.29) =   0.649%  kept
          HB2   MET   92 - HN    PHE   59  13.57 +/- 1.31   0.066% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   59  15.35 +/- 0.81   0.025% *  0.0271% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   59  21.72 +/- 0.94   0.003% *  0.0616% (0.44   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   59  21.97 +/- 1.26   0.003% *  0.0573% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  26.78 +/- 1.16   0.001% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  31.14 +/- 2.04   0.000% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.15 A, kept.
 
    Peak 926 (1.71, 7.25, 119.50 ppm):
    9 chemical-shift based assignments, quality = 0.669, support = 4.26, residual support = 20.3:
          QG1   ILE   56 - HN    PHE   59   3.47 +/- 0.82  99.689% * 97.7319% (0.67   4.26  20.29) =  99.999%  kept
          HB3   MET   92 - HN    PHE   59  12.27 +/- 1.14   0.084% *  0.2369% (0.35   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    PHE   59  14.99 +/- 1.01   0.036% *  0.4232% (0.62   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    PHE   59  13.17 +/- 1.26   0.079% *  0.1803% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    PHE   59  16.38 +/- 1.26   0.021% *  0.3205% (0.47   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    PHE   59  13.32 +/- 1.34   0.069% *  0.0815% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    PHE   59  19.05 +/- 1.15   0.008% *  0.4414% (0.64   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    PHE   59  17.94 +/- 0.85   0.010% *  0.1803% (0.26   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    PHE   59  20.81 +/- 1.19   0.004% *  0.4039% (0.59   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.05 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.351, support = 0.02, residual support = 1.93:
          HA    ALA   61 - HN    ALA   57   8.41 +/- 0.67  98.172% * 14.7090% (0.34   0.02   2.00) =  96.751%  kept
          HD2   PRO   68 - HN    ALA   57  17.40 +/- 1.50   1.372% * 22.6869% (0.53   0.02   0.02) =   2.085%  kept
          HA    VAL   24 - HN    ALA   57  21.41 +/- 1.19   0.378% * 41.6148% (0.97   0.02   0.02) =   1.053%  kept
          HA    LYS+  38 - HN    ALA   57  27.71 +/- 1.53   0.079% * 20.9893% (0.49   0.02   0.02) =   0.111%
    Distance limit 3.46 A violated in 20 structures by 4.93 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.353, support = 0.02, residual support = 0.02:
          HB3   CYS   53 - HN    ALA   57   6.61 +/- 0.65  53.230% * 30.3140% (0.34   0.02   0.02) =  53.486%  kept
          HD2   ARG+  54 - HN    ALA   57   7.77 +/- 1.81  30.672% * 36.5352% (0.41   0.02   0.02) =  37.145%  kept
          HD3   PRO   93 - HN    ALA   57   8.52 +/- 1.02  15.860% * 17.5871% (0.20   0.02   0.02) =   9.246%  kept
          HD3   PRO   68 - HN    ALA   57  16.88 +/- 1.48   0.238% * 15.5637% (0.18   0.02   0.02) =   0.123%
    Distance limit 4.41 A violated in 16 structures by 1.46 A, eliminated.
    Peak unassigned.
 
    Peak 929 (1.90, 7.41, 127.14 ppm):
    8 chemical-shift based assignments, quality = 0.468, support = 4.96, residual support = 30.6:
          HB    ILE   56 - HN    ALA   57   3.94 +/- 0.57  84.610% * 25.6658% (0.25   5.34  33.82) =  66.274%  kept
          HB3   PRO   58 - HN    ALA   57   5.48 +/- 0.22  15.114% * 73.1117% (0.90   4.23  24.17) =  33.724%  kept
          HB2   MET   92 - HN    ALA   57  11.38 +/- 1.50   0.240% *  0.2801% (0.73   0.02   0.02) =   0.002%
          HB3   MET   96 - HN    ALA   57  15.52 +/- 1.26   0.028% *  0.0962% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   57  21.97 +/- 1.12   0.003% *  0.2184% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    ALA   57  23.00 +/- 1.32   0.003% *  0.2029% (0.53   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   57  28.64 +/- 1.56   0.001% *  0.1448% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ALA   57  32.45 +/- 2.17   0.000% *  0.2801% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.03 A, kept.
 
    Peak 930 (1.64, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.87, residual support = 24.3:
      O   QB    ALA   57 - HN    ALA   57   2.51 +/- 0.50  99.931% * 99.4737% (0.92  10.0   4.87  24.30) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   57  11.19 +/- 0.88   0.031% *  0.1068% (0.99   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   57  11.66 +/- 0.77   0.019% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   57  13.85 +/- 1.26   0.008% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   57  15.62 +/- 1.51   0.005% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ALA   57  17.16 +/- 1.84   0.004% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  20.49 +/- 1.07   0.001% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ALA   57  23.61 +/- 1.54   0.000% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  26.84 +/- 1.69   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.08 A, kept.
 
    Peak 931 (1.26, 7.41, 127.14 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 5.34, residual support = 33.8:
          QG2   ILE   56 - HN    ALA   57   3.18 +/- 0.90  99.826% * 97.4851% (0.87   5.34  33.82) = 100.000%  kept
          QB    ALA   91 - HN    ALA   57  11.98 +/- 1.38   0.063% *  0.4064% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   57  11.55 +/- 0.85   0.090% *  0.1888% (0.45   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   57  18.15 +/- 1.01   0.006% *  0.2893% (0.69   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   57  19.16 +/- 1.25   0.004% *  0.4064% (0.97   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   57  19.97 +/- 1.16   0.003% *  0.2893% (0.69   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   57  20.21 +/- 2.33   0.004% *  0.1731% (0.41   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   57  19.54 +/- 1.16   0.003% *  0.1437% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   57  23.89 +/- 1.86   0.001% *  0.2050% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   57  29.86 +/- 1.56   0.000% *  0.4128% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.13 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.63, residual support = 61.2:
      O   HB2   ASN   69 - HD21  ASN   69   2.94 +/- 0.51  99.856% * 99.6854% (0.36  10.0   3.63  61.21) = 100.000%  kept
          QE    LYS+  66 - HD21  ASN   69  10.80 +/- 1.90   0.135% *  0.1287% (0.47   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD21  ASN   69  16.41 +/- 2.03   0.008% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD21  ASN   69  24.07 +/- 1.25   0.001% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  28.19 +/- 0.92   0.000% *  0.0238% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.02 A, kept.
 
    Peak 933 (0.88, 7.68, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.316, support = 4.1, residual support = 27.2:
          QG1   VAL   70 - HD21  ASN   69   4.00 +/- 1.21  74.089% * 94.6339% (0.32   4.14  27.50) =  99.044%  kept
          QD1   LEU   71 - HD21  ASN   69   6.97 +/- 2.19  20.599% *  3.2065% (0.19   0.23   0.02) =   0.933%  kept
          QD1   LEU  123 - HD21  ASN   69  10.71 +/- 2.44   4.962% *  0.2754% (0.19   0.02   0.02) =   0.019%
          HB3   LEU   63 - HD21  ASN   69  10.67 +/- 1.22   0.270% *  0.8074% (0.56   0.02   0.02) =   0.003%
          QG1   VAL   18 - HD21  ASN   69  13.07 +/- 1.14   0.074% *  0.5546% (0.39   0.02   0.02) =   0.001%
          QG1   VAL  108 - HD21  ASN   69  19.68 +/- 1.08   0.006% *  0.5223% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.08 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.384, support = 0.0199, residual support = 0.0199:
          HA    LYS+  99 - HD21  ASN   69   9.47 +/- 1.35  17.830% * 19.7883% (0.53   0.02   0.02) =  41.074%  kept
          HA    LEU  123 - HD21  ASN   69  11.62 +/- 2.97  20.478% * 14.3693% (0.39   0.02   0.02) =  34.255%  kept
          HA    LEU   40 - HD21  ASN   69   7.88 +/- 1.73  58.527% *  2.8311% (0.08   0.02   0.02) =  19.289%  kept
          HA    ASN   35 - HD21  ASN   69  13.99 +/- 1.94   1.821% * 17.4728% (0.47   0.02   0.02) =   3.705%  kept
          HA    PHE   59 - HD21  ASN   69  16.05 +/- 1.41   1.039% *  8.6000% (0.23   0.02   0.02) =   1.041%  kept
          HA    ILE   56 - HD21  ASN   69  21.07 +/- 1.72   0.195% * 16.7505% (0.45   0.02   0.02) =   0.381%
          HA    ASP- 113 - HD21  ASN   69  22.75 +/- 1.99   0.109% * 20.1881% (0.54   0.02   0.02) =   0.256%
    Distance limit 4.74 A violated in 17 structures by 2.14 A, eliminated.
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.27, residual support = 18.1:
          QB    PHE   55 - HN    ILE   56   2.81 +/- 0.30  93.740% * 97.6837% (0.97   4.27  18.11) =  99.970%  kept
          HB3   CYS   53 - HN    ILE   56   5.29 +/- 0.41   2.996% *  0.4576% (0.97   0.02   0.02) =   0.015%
          HD3   PRO   93 - HN    ILE   56   6.34 +/- 1.19   1.227% *  0.4731% (1.00   0.02   0.02) =   0.006%
          HB2   PHE   59 - HN    ILE   56   6.51 +/- 1.06   1.194% *  0.3624% (0.76   0.02  20.29) =   0.005%
          HD2   ARG+  54 - HN    ILE   56   6.80 +/- 0.78   0.832% *  0.4377% (0.92   0.02   0.02) =   0.004%
          HD3   PRO   68 - HN    ILE   56  19.31 +/- 1.59   0.001% *  0.4700% (0.99   0.02   0.02) =   0.000%
          HD3   PRO   93 - HZ2   TRP   87  16.88 +/- 1.71   0.005% *  0.0205% (0.04   0.02   0.02) =   0.000%
          HB3   CYS   53 - HZ2   TRP   87  17.84 +/- 1.86   0.002% *  0.0199% (0.04   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  19.55 +/- 1.64   0.001% *  0.0199% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  19.87 +/- 1.71   0.001% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  21.93 +/- 1.36   0.000% *  0.0204% (0.04   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  25.31 +/- 1.91   0.000% *  0.0190% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 936 (1.89, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.867, support = 6.04, residual support = 123.0:
      O   HB    ILE   56 - HN    ILE   56   2.82 +/- 0.61  95.613% * 99.2786% (0.87  10.0   6.04 123.04) =  99.999%  kept
          HG2   ARG+  54 - HN    ILE   56   6.08 +/- 0.57   3.422% *  0.0200% (0.18   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    ILE   56   7.83 +/- 0.46   0.354% *  0.0916% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ILE   56   9.21 +/- 1.34   0.211% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87   9.90 +/- 2.40   0.117% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE   56  13.63 +/- 1.00   0.010% *  0.0513% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87  10.10 +/- 1.51   0.117% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  15.51 +/- 0.94   0.006% *  0.0390% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  11.31 +/- 0.62   0.045% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE   56  18.51 +/- 1.08   0.002% *  0.0471% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  16.89 +/- 0.84   0.004% *  0.0226% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ILE   56  23.17 +/- 1.08   0.001% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  13.13 +/- 1.99   0.029% *  0.0017% (0.01   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  11.50 +/- 1.59   0.038% *  0.0008% (0.01   1.0   0.02   0.46) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  16.25 +/- 1.63   0.005% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  13.48 +/- 1.91   0.015% *  0.0014% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  21.27 +/- 1.96   0.001% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  22.06 +/- 1.04   0.001% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  30.24 +/- 1.22   0.000% *  0.1105% (0.97   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  24.92 +/- 1.07   0.000% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  19.08 +/- 2.02   0.002% *  0.0048% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  15.36 +/- 1.33   0.007% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  19.38 +/- 2.31   0.001% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  24.11 +/- 1.16   0.000% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  34.87 +/- 2.39   0.000% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  23.35 +/- 1.82   0.001% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  22.97 +/- 1.93   0.001% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  30.61 +/- 2.58   0.000% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.13 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.17, residual support = 123.0:
          QG1   ILE   56 - HN    ILE   56   3.95 +/- 0.41  94.856% * 98.0277% (0.87   5.17 123.04) =  99.994%  kept
          HB3   MET   92 - HN    ILE   56   8.22 +/- 1.00   2.228% *  0.1958% (0.45   0.02   0.02) =   0.005%
          HD2   LYS+ 111 - HN    ILE   56  11.35 +/- 1.42   0.264% *  0.1490% (0.34   0.02   2.22) =   0.000%
          QD    LYS+ 106 - HN    ILE   56  15.28 +/- 1.24   0.037% *  0.3498% (0.80   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HZ2   TRP   87  11.18 +/- 1.98   0.561% *  0.0152% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   73 - HZ2   TRP   87   9.86 +/- 1.98   0.701% *  0.0115% (0.03   0.02   0.02) =   0.000%
          HB    ILE   89 - HZ2   TRP   87   8.52 +/- 0.50   1.141% *  0.0065% (0.01   0.02  19.62) =   0.000%
          HB    ILE   89 - HN    ILE   56  15.42 +/- 1.02   0.034% *  0.1490% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ILE   56  17.67 +/- 1.41   0.016% *  0.2649% (0.61   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    ILE   56  22.24 +/- 1.35   0.004% *  0.3648% (0.84   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ILE   56  18.14 +/- 1.10   0.013% *  0.0674% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    ILE   56  23.90 +/- 1.21   0.002% *  0.3338% (0.76   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  16.60 +/- 1.98   0.036% *  0.0164% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HZ2   TRP   87  15.56 +/- 1.35   0.035% *  0.0145% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  99 - HZ2   TRP   87  15.98 +/- 1.26   0.028% *  0.0158% (0.04   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  15.94 +/- 1.34   0.033% *  0.0085% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  21.98 +/- 2.80   0.010% *  0.0065% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  25.04 +/- 1.56   0.002% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.19 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.243, support = 0.82, residual support = 4.81:
          QB    ALA  110 - HN    ILE   56   4.73 +/- 2.85  79.291% * 31.9035% (0.20   0.89   5.34) =  90.107%  kept
          HB3   LEU  115 - HN    ILE   56   7.34 +/- 0.74   5.994% * 23.9540% (0.92   0.14   0.02) =   5.115%  kept
          HG    LEU  115 - HN    ILE   56   7.89 +/- 1.24   6.334% * 20.3822% (0.38   0.30   0.02) =   4.599%  kept
          QB    ALA   61 - HN    ILE   56   8.43 +/- 0.60   2.780% *  1.3652% (0.38   0.02   0.02) =   0.135%
          QG    LYS+  66 - HN    ILE   56  13.93 +/- 1.10   0.141% *  2.6414% (0.73   0.02   0.02) =   0.013%
          QB    ALA  120 - HN    ILE   56  13.47 +/- 0.86   0.188% *  1.3652% (0.38   0.02   0.02) =   0.009%
          HG    LEU   73 - HZ2   TRP   87  10.11 +/- 2.04   1.334% *  0.1416% (0.04   0.02   0.02) =   0.007%
          HG    LEU   80 - HZ2   TRP   87   8.88 +/- 1.72   3.295% *  0.0351% (0.01   0.02   0.02) =   0.004%
          HG    LEU   67 - HN    ILE   56  18.35 +/- 1.42   0.028% *  3.0384% (0.84   0.02   0.02) =   0.003%
          HG    LEU   73 - HN    ILE   56  18.49 +/- 1.03   0.021% *  3.2623% (0.90   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ILE   56  18.04 +/- 1.07   0.026% *  1.9138% (0.53   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    ILE   56  20.88 +/- 1.16   0.010% *  3.3579% (0.92   0.02   0.02) =   0.001%
          HG    LEU   40 - HZ2   TRP   87  14.43 +/- 1.36   0.110% *  0.1457% (0.04   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ILE   56  19.23 +/- 1.48   0.017% *  0.8098% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HZ2   TRP   87  15.16 +/- 1.93   0.053% *  0.1523% (0.04   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE   56  20.22 +/- 1.44   0.014% *  0.5613% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   56  27.46 +/- 1.40   0.002% *  3.5105% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ILE   56  22.12 +/- 1.22   0.007% *  0.7199% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  115 - HZ2   TRP   87  19.10 +/- 2.41   0.028% *  0.1457% (0.04   0.02   0.02) =   0.000%
          QB    ALA  110 - HZ2   TRP   87  15.95 +/- 1.83   0.081% *  0.0312% (0.01   0.02   0.02) =   0.000%
          HG    LEU   67 - HZ2   TRP   87  19.10 +/- 1.41   0.017% *  0.1319% (0.04   0.02   0.02) =   0.000%
          QB    ALA   61 - HZ2   TRP   87  17.38 +/- 0.74   0.033% *  0.0592% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   40 - HZ2   TRP   87  15.69 +/- 1.26   0.061% *  0.0312% (0.01   0.02   0.02) =   0.000%
          HB3   LEU   67 - HZ2   TRP   87  18.86 +/- 1.55   0.022% *  0.0831% (0.02   0.02   0.02) =   0.000%
          HG12  ILE   19 - HZ2   TRP   87  15.71 +/- 1.42   0.076% *  0.0244% (0.01   0.02   0.02) =   0.000%
          QG    LYS+  66 - HZ2   TRP   87  20.94 +/- 1.00   0.011% *  0.1146% (0.03   0.02   0.02) =   0.000%
          HG    LEU  115 - HZ2   TRP   87  21.21 +/- 2.45   0.013% *  0.0592% (0.02   0.02   0.02) =   0.000%
          QB    ALA  120 - HZ2   TRP   87  20.30 +/- 1.48   0.012% *  0.0592% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 3 structures by 0.38 A, kept.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 123.0:
          QG2   ILE   56 - HN    ILE   56   2.78 +/- 0.39  99.282% * 98.4394% (1.00   6.59 123.04) = 100.000%  kept
          QB    ALA   91 - HN    ILE   56  10.28 +/- 1.15   0.060% *  0.2171% (0.73   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  12.55 +/- 1.85   0.441% *  0.0094% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ILE   56  12.55 +/- 1.03   0.017% *  0.0592% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HZ2   TRP   87  10.22 +/- 1.83   0.065% *  0.0123% (0.04   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  10.28 +/- 2.01   0.078% *  0.0084% (0.03   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ILE   56  19.93 +/- 1.13   0.001% *  0.1934% (0.65   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ILE   56  21.11 +/- 0.95   0.001% *  0.2828% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   56  20.73 +/- 0.91   0.001% *  0.2171% (0.73   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  15.18 +/- 2.37   0.011% *  0.0130% (0.04   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   56  20.13 +/- 1.26   0.001% *  0.1122% (0.38   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  14.08 +/- 1.70   0.010% *  0.0094% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  12.86 +/- 0.70   0.014% *  0.0026% (0.01   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  22.05 +/- 2.29   0.001% *  0.0523% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  19.15 +/- 2.42   0.002% *  0.0123% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  31.38 +/- 1.37   0.000% *  0.2828% (0.95   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  15.89 +/- 1.38   0.004% *  0.0049% (0.02   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  14.84 +/- 2.07   0.008% *  0.0023% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  25.23 +/- 1.34   0.000% *  0.0665% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  16.90 +/- 1.60   0.003% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.06 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.911, support = 5.38, residual support = 55.9:
          HB3   CYS   53 - HN    ARG+  54   3.78 +/- 0.28  51.569% * 35.6510% (0.94   5.36  32.22) =  62.226%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.72 +/- 0.40  14.447% * 45.5622% (0.95   6.79 158.67) =  22.279%  kept
          QB    PHE   55 - HN    ARG+  54   4.28 +/- 0.12  24.919% * 18.3521% (0.76   3.42   3.18) =  15.478%  kept
          HD3   PRO   93 - HN    ARG+  54   6.42 +/- 0.96   3.271% *  0.1203% (0.85   0.02   0.02) =   0.013%
          HB2   PHE   59 - HN    ASP-  62   5.54 +/- 0.19   5.276% *  0.0132% (0.09   0.02   6.56) =   0.002%
          HB2   PHE   59 - HN    ARG+  54  10.43 +/- 1.13   0.150% *  0.0706% (0.50   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ASP-  62  10.35 +/- 1.09   0.164% *  0.0218% (0.15   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASP-  62  10.91 +/- 0.59   0.096% *  0.0201% (0.14   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASP-  62  12.06 +/- 0.62   0.052% *  0.0249% (0.18   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASP-  62  13.81 +/- 1.79   0.032% *  0.0251% (0.18   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASP-  62  13.97 +/- 0.90   0.023% *  0.0225% (0.16   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ARG+  54  22.54 +/- 1.57   0.001% *  0.1164% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 6.37, residual support = 158.7:
      O   HB2   ARG+  54 - HN    ARG+  54   3.07 +/- 0.57  99.196% * 96.9633% (0.26  10.0   6.37 158.67) = 100.000%  kept
          HB    ILE  119 - HN    ASP-  62   8.43 +/- 1.03   0.414% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ARG+  54  13.17 +/- 0.76   0.023% *  0.2793% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP-  62  11.91 +/- 1.09   0.055% *  0.0647% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP-  62  11.21 +/- 1.18   0.073% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ARG+  54  13.17 +/- 1.06   0.025% *  0.0776% (0.21   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ARG+  54  14.64 +/- 1.24   0.014% *  0.1190% (0.32   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ARG+  54  16.16 +/- 1.00   0.007% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  13.42 +/- 0.59   0.021% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ARG+  54  19.23 +/- 1.36   0.002% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  11.79 +/- 1.32   0.068% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  15.17 +/- 1.10   0.011% *  0.0523% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  13.35 +/- 1.18   0.026% *  0.0181% (0.05   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  12.91 +/- 1.44   0.031% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ARG+  54  23.95 +/- 1.53   0.001% *  0.3457% (0.94   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ARG+  54  22.74 +/- 0.84   0.001% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  14.16 +/- 0.79   0.015% *  0.0114% (0.03   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  16.32 +/- 0.81   0.006% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ARG+  54  25.17 +/- 1.24   0.000% *  0.3025% (0.82   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  24.23 +/- 1.26   0.001% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  20.37 +/- 1.09   0.002% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  20.24 +/- 0.91   0.002% *  0.0566% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  19.24 +/- 0.85   0.002% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  26.26 +/- 1.34   0.000% *  0.1835% (0.50   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  23.91 +/- 1.77   0.001% *  0.0472% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  31.43 +/- 1.13   0.000% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  23.75 +/- 0.76   0.001% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  25.79 +/- 0.85   0.000% *  0.0343% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.14 A, kept.
 
    Peak 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.933, support = 6.32, residual support = 157.5:
          HG2   ARG+  54 - HN    ARG+  54   3.23 +/- 0.37  92.510% * 84.5691% (0.94   6.35 158.67) =  99.257%  kept
          HB3   PRO   52 - HN    ARG+  54   5.45 +/- 0.19   4.551% * 12.7955% (0.29   3.08   1.76) =   0.739%  kept
          HB    ILE   56 - HN    ARG+  54   6.62 +/- 0.88   2.380% *  0.1308% (0.46   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    ASP-  62   9.03 +/- 0.89   0.331% *  0.0245% (0.09   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ARG+  54  14.57 +/- 1.14   0.016% *  0.2594% (0.91   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ARG+  54  15.80 +/- 0.78   0.008% *  0.2411% (0.85   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP-  62  12.39 +/- 1.09   0.038% *  0.0485% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ARG+  54  16.92 +/- 1.34   0.006% *  0.2481% (0.87   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP-  62  13.15 +/- 1.31   0.031% *  0.0499% (0.18   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ASP-  62  11.25 +/- 1.21   0.071% *  0.0155% (0.05   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASP-  62  14.07 +/- 1.19   0.017% *  0.0502% (0.18   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASP-  62  14.14 +/- 0.59   0.015% *  0.0451% (0.16   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ARG+  54  20.23 +/- 0.86   0.002% *  0.2682% (0.94   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ARG+  54  24.46 +/- 1.81   0.001% *  0.2594% (0.91   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  15.84 +/- 1.33   0.011% *  0.0155% (0.05   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ARG+  54  24.46 +/- 0.92   0.001% *  0.2635% (0.93   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ARG+  54  20.89 +/- 0.94   0.001% *  0.0830% (0.29   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ARG+  54  26.15 +/- 1.14   0.000% *  0.2664% (0.94   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP-  62  20.11 +/- 0.85   0.002% *  0.0499% (0.18   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  20.77 +/- 0.80   0.002% *  0.0493% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  21.39 +/- 0.76   0.001% *  0.0485% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  22.14 +/- 0.90   0.001% *  0.0464% (0.16   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  24.14 +/- 1.17   0.001% *  0.0532% (0.19   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  19.44 +/- 0.94   0.003% *  0.0100% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  23.93 +/- 0.84   0.001% *  0.0172% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  32.79 +/- 1.14   0.000% *  0.0917% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.04 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.168, support = 2.77, residual support = 8.26:
          QB    ALA   61 - HN    ASP-  62   2.81 +/- 0.18  96.555% * 57.5261% (0.16   2.79   8.31) =  99.382%  kept
          QB    ALA  110 - HN    ARG+  54   6.47 +/- 2.34   1.498% * 22.6221% (0.95   0.19   0.02) =   0.606%  kept
          QG    LYS+  66 - HN    ASP-  62   6.06 +/- 1.05   1.742% *  0.2711% (0.11   0.02   0.02) =   0.008%
          QB    ALA   61 - HN    ARG+  54  10.16 +/- 0.87   0.052% *  2.2052% (0.87   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ASP-  62   9.76 +/- 0.85   0.069% *  0.3579% (0.14   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ASP-  62  11.29 +/- 1.87   0.031% *  0.4470% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ARG+  54  15.01 +/- 1.27   0.005% *  1.1628% (0.46   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ARG+  54  18.44 +/- 1.69   0.001% *  2.3836% (0.94   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ARG+  54  17.04 +/- 1.20   0.002% *  1.4489% (0.57   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  12.91 +/- 1.23   0.015% *  0.2176% (0.09   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  14.36 +/- 1.35   0.007% *  0.4430% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ARG+  54  18.77 +/- 1.20   0.001% *  1.6409% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  14.34 +/- 1.75   0.009% *  0.2352% (0.09   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ARG+  54  21.42 +/- 1.39   0.001% *  2.3677% (0.94   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ARG+  54  21.04 +/- 1.04   0.001% *  1.9128% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  14.54 +/- 0.67   0.006% *  0.1838% (0.07   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ARG+  54  19.75 +/- 1.14   0.001% *  0.9821% (0.39   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ARG+  54  21.18 +/- 1.56   0.001% *  1.2568% (0.50   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  20.23 +/- 1.30   0.001% *  0.4460% (0.18   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ARG+  54  21.71 +/- 1.05   0.000% *  0.5957% (0.24   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.82 +/- 0.53   0.002% *  0.1115% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  20.87 +/- 0.96   0.001% *  0.3070% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ARG+  54  30.02 +/- 1.35   0.000% *  0.7373% (0.29   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  24.47 +/- 1.35   0.000% *  0.1380% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.437, support = 3.23, residual support = 11.6:
      O   HA2   GLY   51 - HN    GLY   51   2.78 +/- 0.13  26.147% * 83.6616% (0.49  10.0   2.21   9.98) =  66.071%  kept
          HD2   PRO   52 - HN    GLY   51   2.32 +/- 0.42  73.715% * 15.2386% (0.34   1.0   5.20  14.78) =  33.929%  kept
          QB    SER   48 - HN    GLY   51   6.66 +/- 0.77   0.134% *  0.1314% (0.76   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    GLY   51  12.54 +/- 0.64   0.003% *  0.1112% (0.65   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    GLY   51  16.82 +/- 1.04   0.000% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    GLY   51  22.29 +/- 0.76   0.000% *  0.1587% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  17.11 +/- 1.45   0.000% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  19.09 +/- 1.02   0.000% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    GLY   51  24.30 +/- 1.01   0.000% *  0.1626% (0.95   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  25.31 +/- 1.02   0.000% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  26.03 +/- 1.17   0.000% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  31.27 +/- 0.93   0.000% *  0.0340% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 948 (2.79, 6.60, 121.96 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 1.23, residual support = 7.04:
      O   QB    CYS   50 - HN    CYS   50   2.87 +/- 0.16  99.768% * 99.5238% (0.69  10.0   1.23   7.04) = 100.000%  kept
          HB3   ASP-  78 - HN    CYS   50   9.41 +/- 1.48   0.140% *  0.1965% (0.84   1.0   0.02   0.02) =   0.000%
          QE    LYS+  74 - HN    CYS   50   9.78 +/- 0.95   0.092% *  0.1708% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    CYS   50  23.90 +/- 1.15   0.000% *  0.0363% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   50  28.27 +/- 1.26   0.000% *  0.0726% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.12, residual support = 6.97:
          QB    ALA   47 - HN    CYS   50   2.34 +/- 0.76  99.982% * 97.8039% (0.57   2.12   6.97) = 100.000%  kept
          QB    ALA   64 - HN    CYS   50  14.83 +/- 0.70   0.007% *  1.1816% (0.73   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    CYS   50  15.03 +/- 0.69   0.005% *  0.7295% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    CYS   50  16.50 +/- 1.52   0.005% *  0.2850% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.05 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.34, support = 3.76, residual support = 15.5:
          QB    SER   48 - HN    TRP   49   2.98 +/- 0.38  70.682% * 27.6509% (0.45   1.0   3.90  15.46) =  52.021%  kept
      O   HA    SER   48 - HN    TRP   49   3.58 +/- 0.05  25.572% * 70.4639% (0.22  10.0   3.61  15.46) =  47.961%  kept
          HD2   PRO   52 - HN    TRP   49   5.29 +/- 0.64   3.085% *  0.2047% (0.65   1.0   0.02   3.49) =   0.017%
          HA2   GLY   51 - HN    TRP   49   6.68 +/- 0.50   0.630% *  0.0705% (0.22   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    TRP   49  12.08 +/- 0.57   0.018% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    TRP   49  14.69 +/- 1.18   0.006% *  0.3054% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    TRP   49  15.70 +/- 1.50   0.005% *  0.1301% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    TRP   49  22.95 +/- 1.10   0.000% *  0.3137% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    TRP   49  25.21 +/- 1.14   0.000% *  0.3054% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    TRP   49  26.35 +/- 1.11   0.000% *  0.2174% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    TRP   49  29.29 +/- 0.56   0.000% *  0.1419% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    TRP   49  27.72 +/- 1.57   0.000% *  0.0880% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 4.0, residual support = 74.5:
      O   HB3   TRP   49 - HN    TRP   49   2.67 +/- 0.36  99.996% * 99.8958% (0.80  10.0   4.00  74.54) = 100.000%  kept
          HB3   PHE   59 - HN    TRP   49  16.67 +/- 1.13   0.004% *  0.1042% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 954 (3.96, 9.44, 119.76 ppm):
    12 chemical-shift based assignments, quality = 0.415, support = 2.61, residual support = 9.66:
      O   QB    SER   48 - HN    SER   48   2.32 +/- 0.19  73.908% * 66.2308% (0.45  10.0   2.61   9.66) =  85.208%  kept
      O   HA    SER   48 - HN    SER   48   2.77 +/- 0.04  25.836% * 32.8893% (0.22  10.0   2.61   9.66) =  14.792%  kept
          HD2   PRO   52 - HN    SER   48   6.68 +/- 0.92   0.216% *  0.0956% (0.65   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER   48   8.82 +/- 0.51   0.026% *  0.0329% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   48  10.69 +/- 0.64   0.009% *  0.0504% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER   48  13.04 +/- 1.29   0.003% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER   48  14.18 +/- 1.62   0.002% *  0.0607% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   48  22.26 +/- 0.98   0.000% *  0.1464% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   48  24.15 +/- 1.09   0.000% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  26.06 +/- 0.84   0.000% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  27.02 +/- 0.67   0.000% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  27.16 +/- 1.27   0.000% *  0.0411% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (0.38, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.08, residual support = 6.26:
          QB    ALA   47 - HN    SER   48   2.76 +/- 0.06  99.991% * 99.1203% (0.90   4.08   6.26) = 100.000%  kept
          QG1   VAL   42 - HN    SER   48  14.73 +/- 0.26   0.004% *  0.4336% (0.80   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    SER   48  15.25 +/- 0.78   0.004% *  0.2032% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    SER   48  19.18 +/- 1.71   0.001% *  0.2428% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.83, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47   9.08 +/- 0.82  92.468% * 52.2208% (0.84   0.02   0.02) =  93.065%  kept
          HB2   TRP   87 - HN    ALA   47  14.28 +/- 0.98   7.532% * 47.7792% (0.76   0.02   0.02) =   6.935%  kept
    Distance limit 4.11 A violated in 20 structures by 4.85 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.966, support = 1.36, residual support = 6.54:
          QB    CYS   50 - HN    ALA   47   3.92 +/- 1.01  88.610% * 63.9019% (0.97   1.40   6.97) =  93.846%  kept
          QE    LYS+  74 - HN    ALA   47   6.48 +/- 1.03  10.656% * 34.8136% (0.98   0.75   0.02) =   6.149%  kept
          HB3   ASP-  78 - HN    ALA   47   9.00 +/- 1.01   0.699% *  0.4610% (0.49   0.02   0.02) =   0.005%
          HB2   PHE   72 - HN    ALA   47  14.65 +/- 1.05   0.033% *  0.2109% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ALA   47  24.60 +/- 0.98   0.001% *  0.6127% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.08 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   3.09 +/- 0.50  99.783% * 97.5708% (0.97   3.21  12.69) =  99.999%  kept
          QG2   VAL   18 - HN    ALA   47   9.58 +/- 0.91   0.163% *  0.5656% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   43 - HN    ALA   47  12.38 +/- 0.62   0.039% *  0.4332% (0.69   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ALA   47  15.25 +/- 0.88   0.009% *  0.5966% (0.95   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    ALA   47  17.51 +/- 0.44   0.004% *  0.3070% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ALA   47  20.06 +/- 0.66   0.002% *  0.5268% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 960 (0.39, 7.01, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.36, residual support = 11.0:
      O   QB    ALA   47 - HN    ALA   47   2.42 +/- 0.12  99.983% * 99.7622% (0.57  10.0   2.36  10.99) = 100.000%  kept
          QB    ALA   64 - HN    ALA   47  12.04 +/- 0.63   0.008% *  0.1280% (0.73   1.0   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    ALA   47  11.79 +/- 0.29   0.008% *  0.0790% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    ALA   47  15.76 +/- 1.88   0.002% *  0.0309% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.06 +/- 0.30  99.982% * 99.3656% (0.25  10.0   3.25  34.52) = 100.000%  kept
          HA    LYS+ 112 - HN    THR   46  16.35 +/- 1.20   0.006% *  0.3045% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    THR   46  14.53 +/- 0.79   0.010% *  0.1359% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    THR   46  19.73 +/- 0.96   0.002% *  0.1940% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.606, support = 3.6, residual support = 12.0:
          QG2   THR   77 - HN    THR   46   3.01 +/- 0.34  97.654% * 95.6481% (0.61   3.60  11.99) =  99.994%  kept
          HB3   ASP-  44 - HN    THR   46   6.08 +/- 0.39   1.785% *  0.1952% (0.22   0.02   0.02) =   0.004%
          HB3   LEU   80 - HN    THR   46   7.98 +/- 0.98   0.490% *  0.3605% (0.41   0.02   0.02) =   0.002%
          QB    ALA   88 - HN    THR   46  11.19 +/- 0.76   0.041% *  0.8294% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   46  12.65 +/- 0.95   0.022% *  0.2706% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   46  16.64 +/- 1.04   0.004% *  0.5672% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   46  17.27 +/- 0.48   0.003% *  0.4964% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   46  21.79 +/- 0.71   0.001% *  0.7863% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   46  25.44 +/- 0.46   0.000% *  0.8462% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.948, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  10.20 +/- 1.28  72.335% * 32.0586% (0.99   0.02   0.02) =  77.242%  kept
          QD1   ILE  119 - HN    THR   46  12.59 +/- 0.95  22.343% * 25.8997% (0.80   0.02   0.02) =  19.275%  kept
          HB2   LEU  104 - HN    THR   46  18.49 +/- 0.52   2.330% * 32.0586% (0.99   0.02   0.02) =   2.488%  kept
          HG3   LYS+ 112 - HN    THR   46  18.00 +/- 1.76   2.992% *  9.9831% (0.31   0.02   0.02) =   0.995%  kept
    Distance limit 4.53 A violated in 20 structures by 5.06 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   2.31 +/- 0.29  99.812% * 97.4006% (0.97   3.39  34.52) =  99.999%  kept
          QG2   VAL   18 - HN    THR   46   7.97 +/- 0.92   0.099% *  0.5947% (1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HN    THR   46   9.01 +/- 0.63   0.037% *  0.5638% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    THR   46   9.29 +/- 1.22   0.042% *  0.0920% (0.15   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    THR   46  12.59 +/- 0.65   0.005% *  0.4094% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    THR   46  14.17 +/- 0.48   0.002% *  0.4773% (0.80   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    THR   46  15.10 +/- 0.58   0.002% *  0.1486% (0.25   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    THR   46  17.64 +/- 0.67   0.001% *  0.3136% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 1.96:
          QG1   VAL   75 - HN    THR   46   3.66 +/- 0.54  99.889% * 99.0129% (0.92   1.66   1.96) =  99.999%  kept
          QD1   LEU  115 - HN    THR   46  12.55 +/- 1.63   0.111% *  0.9871% (0.76   0.02   0.02) =   0.001%
    Distance limit 4.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.3, residual support = 27.1:
          HB    THR   94 - HN    PHE   45   3.57 +/- 0.42  99.493% * 94.1909% (0.65   3.30  27.13) =  99.997%  kept
          QB    SER   48 - HN    PHE   45  11.46 +/- 0.33   0.110% *  0.6747% (0.76   0.02   0.02) =   0.001%
          QB    SER   85 - HN    PHE   45  12.38 +/- 0.36   0.069% *  0.8520% (0.97   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    PHE   45  11.35 +/- 0.67   0.123% *  0.3012% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    PHE   45  15.69 +/- 0.73   0.019% *  0.8150% (0.92   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    PHE   45  11.72 +/- 0.46   0.096% *  0.1546% (0.18   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   45  14.60 +/- 0.63   0.027% *  0.4297% (0.49   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   45  14.19 +/- 0.93   0.033% *  0.2201% (0.25   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    PHE   45  17.59 +/- 0.82   0.009% *  0.8520% (0.97   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    PHE   45  17.78 +/- 0.62   0.008% *  0.8352% (0.95   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   45  17.89 +/- 0.95   0.008% *  0.4998% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    PHE   45  19.36 +/- 0.47   0.005% *  0.1747% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 3.68, residual support = 80.4:
      O   HB2   PHE   45 - HN    PHE   45   2.46 +/- 0.09  99.982% * 99.8561% (0.99  10.0   3.68  80.40) = 100.000%  kept
          HB2   CYS   21 - HN    PHE   45  10.99 +/- 0.70   0.014% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    PHE   45  14.04 +/- 0.69   0.003% *  0.0988% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 4.01, residual support = 80.4:
      O   HB3   PHE   45 - HN    PHE   45   3.61 +/- 0.06  98.753% * 99.6079% (0.87  10.0   4.01  80.40) =  99.999%  kept
          HB    VAL  107 - HN    PHE   45   7.80 +/- 0.54   1.086% *  0.0515% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HN    PHE   45  12.12 +/- 0.64   0.075% *  0.0919% (0.80   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    PHE   45  14.20 +/- 1.84   0.036% *  0.0996% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    PHE   45  13.21 +/- 0.84   0.045% *  0.0431% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   45  19.05 +/- 0.92   0.005% *  0.1060% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.482, support = 4.06, residual support = 19.0:
          HB3   ASP-  44 - HN    PHE   45   3.36 +/- 0.35  90.356% * 68.1819% (0.49   4.10  19.23) =  97.467%  kept
          QG2   THR   77 - HN    PHE   45   5.51 +/- 0.30   5.852% * 27.2470% (0.31   2.59   8.41) =   2.523%  kept
          HB3   PRO   93 - HN    PHE   45   6.33 +/- 0.57   2.408% *  0.1054% (0.15   0.02   0.02) =   0.004%
          HB2   LEU   63 - HN    PHE   45   9.86 +/- 0.98   0.249% *  0.4143% (0.61   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    PHE   45   9.60 +/- 0.83   0.185% *  0.4959% (0.73   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    PHE   45   7.74 +/- 0.44   0.681% *  0.1196% (0.18   0.02   0.44) =   0.001%
          QB    ALA   88 - HN    PHE   45   9.99 +/- 0.59   0.149% *  0.4691% (0.69   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    PHE   45  14.09 +/- 1.36   0.021% *  0.6305% (0.92   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   45  11.12 +/- 1.02   0.078% *  0.1703% (0.25   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   45  15.57 +/- 0.54   0.011% *  0.5924% (0.87   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   45  17.95 +/- 0.66   0.004% *  0.6815% (1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   45  19.65 +/- 0.99   0.003% *  0.2330% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   45  22.52 +/- 0.45   0.001% *  0.6591% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 0.804, support = 1.07, residual support = 12.0:
          QD1   ILE   89 - HN    PHE   45   4.35 +/- 0.51  94.607% * 71.8316% (0.80   1.09  12.19) =  98.155%  kept
          QG2   VAL   83 - HN    PHE   45   7.76 +/- 0.80   4.735% * 26.7910% (0.98   0.33   1.46) =   1.832%  kept
          QD2   LEU   31 - HN    PHE   45  10.31 +/- 0.45   0.659% *  1.3774% (0.84   0.02   0.02) =   0.013%
    Distance limit 4.25 A violated in 2 structures by 0.22 A, kept.
 
    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   3.05 +/- 0.16  99.926% * 98.4423% (1.00   4.10  12.49) = 100.000%  kept
          HB    VAL  107 - HN    THR   46  11.74 +/- 0.60   0.037% *  0.3852% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    THR   46  13.00 +/- 0.64   0.018% *  0.2157% (0.45   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    THR   46  15.66 +/- 1.96   0.008% *  0.4800% (1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    THR   46  19.21 +/- 1.02   0.002% *  0.2918% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    THR   46  15.31 +/- 0.91   0.008% *  0.0651% (0.14   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    THR   46  19.50 +/- 0.97   0.002% *  0.1200% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.75, residual support = 8.19:
          HN    CYS   50 - HN    CYS   53   4.78 +/- 0.57  99.964% * 77.1198% (0.87  1.00   0.75   8.20) =  99.989%  kept
        T HN    VAL   83 - HN    CYS   53  18.43 +/- 0.85   0.036% * 22.8802% (0.97 10.00   0.02   0.02) =   0.011%
    Distance limit 4.65 A violated in 0 structures by 0.24 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 7.18, residual support = 52.4:
      O   HA    PRO   52 - HN    CYS   53   3.48 +/- 0.02  99.876% * 99.8358% (0.61  10.0   7.18  52.41) = 100.000%  kept
          HA    LYS+ 111 - HN    CYS   53  10.84 +/- 0.91   0.124% *  0.1642% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 4.78, residual support = 43.4:
      O   HA    CYS   53 - HN    CYS   53   2.74 +/- 0.03  99.996% * 99.7036% (0.90  10.0   4.78  43.36) = 100.000%  kept
          HA    GLU- 114 - HN    CYS   53  15.81 +/- 0.99   0.003% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYS   53  19.50 +/- 1.03   0.001% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  24.52 +/- 0.97   0.000% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  24.51 +/- 1.05   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  27.70 +/- 2.24   0.000% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  27.51 +/- 0.84   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.342, support = 8.16, residual support = 52.0:
          HD2   PRO   52 - HN    CYS   53   2.26 +/- 0.02  98.541% * 60.8423% (0.34   8.20  52.41) =  99.155%  kept
          HA2   GLY   51 - HN    CYS   53   4.62 +/- 0.19   1.404% * 36.3729% (0.49   3.43   0.02) =   0.845%  kept
          QB    SER   48 - HN    CYS   53   8.53 +/- 0.59   0.039% *  0.3326% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    CYS   53  10.24 +/- 0.79   0.013% *  0.2815% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HN    CYS   53  16.63 +/- 1.13   0.001% *  0.4200% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    CYS   53  19.61 +/- 0.61   0.000% *  0.4017% (0.92   0.02   0.02) =   0.000%
          QB    SER  117 - HN    CYS   53  15.92 +/- 0.91   0.001% *  0.1085% (0.25   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    CYS   53  20.67 +/- 0.95   0.000% *  0.4117% (0.95   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    CYS   53  16.20 +/- 1.48   0.001% *  0.0762% (0.18   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    CYS   53  22.97 +/- 0.84   0.000% *  0.4200% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    CYS   53  22.38 +/- 1.03   0.000% *  0.2464% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  29.47 +/- 1.03   0.000% *  0.0861% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.966, support = 4.96, residual support = 43.7:
      O   HB2   CYS   53 - HN    CYS   53   2.72 +/- 0.42  82.899% * 84.8499% (0.98  10.0   4.92  43.36) =  96.516%  kept
          HD3   PRO   52 - HN    CYS   53   3.66 +/- 0.01  16.991% * 14.9435% (0.57   1.0   6.10  52.41) =   3.484%  kept
          HD2   PRO   58 - HN    CYS   53   8.73 +/- 0.79   0.109% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    CYS   53  19.16 +/- 0.85   0.001% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  25.41 +/- 0.94   0.000% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  28.48 +/- 1.03   0.000% *  0.0455% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 5.43, residual support = 43.0:
      O   HB3   CYS   53 - HN    CYS   53   2.57 +/- 0.57  86.394% * 93.6333% (0.97  10.0   5.46  43.36) =  99.205%  kept
          HD3   PRO   93 - HN    CYS   53   4.39 +/- 0.94  10.742% *  6.0132% (1.00   1.0   1.24   0.02) =   0.792%  kept
          QB    PHE   55 - HN    CYS   53   5.05 +/- 0.18   2.500% *  0.0936% (0.97   1.0   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HN    CYS   53   7.23 +/- 0.54   0.343% *  0.0896% (0.92   1.0   0.02  32.22) =   0.000%
          HB2   PHE   59 - HN    CYS   53  10.89 +/- 1.13   0.021% *  0.0741% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    CYS   53  22.75 +/- 1.34   0.000% *  0.0962% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 2.96, residual support = 8.2:
          QB    CYS   50 - HN    CYS   53   4.36 +/- 0.64  98.727% * 98.0456% (0.69   2.96   8.20) =  99.991%  kept
          QE    LYS+  74 - HN    CYS   53   9.86 +/- 0.83   1.084% *  0.7010% (0.73   0.02   0.02) =   0.008%
          HB3   ASP-  78 - HN    CYS   53  13.35 +/- 1.18   0.176% *  0.8064% (0.84   0.02   0.02) =   0.001%
          HB3   HIS  122 - HN    CYS   53  20.76 +/- 1.05   0.011% *  0.1490% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   53  26.52 +/- 1.04   0.003% *  0.2980% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.14 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.2, residual support = 52.4:
          HG2   PRO   52 - HN    CYS   53   3.41 +/- 0.57  91.781% * 94.9823% (0.25   7.21  52.41) =  99.925%  kept
          HG2   MET   92 - HN    CYS   53   5.89 +/- 1.07   7.901% *  0.8079% (0.76   0.02   0.02) =   0.073%
          QG    GLU- 114 - HN    CYS   53  12.39 +/- 1.38   0.098% *  0.7262% (0.69   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    CYS   53  12.13 +/- 0.85   0.074% *  0.2636% (0.25   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   53  11.29 +/- 1.31   0.117% *  0.1431% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    CYS   53  16.14 +/- 1.07   0.014% *  0.6412% (0.61   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   53  17.02 +/- 1.28   0.011% *  0.1851% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   53  22.45 +/- 0.92   0.002% *  0.3606% (0.34   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   53  23.73 +/- 1.68   0.001% *  0.2354% (0.22   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   53  32.30 +/- 2.04   0.000% *  0.8465% (0.80   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    CYS   53  33.79 +/- 1.29   0.000% *  0.8079% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 0.97, support = 7.16, residual support = 52.2:
          HG3   PRO   52 - HN    CYS   53   3.64 +/- 0.64  78.531% * 90.6422% (0.98   7.21  52.41) =  98.750%  kept
          HB2   ARG+  54 - HN    CYS   53   5.61 +/- 0.65  10.609% *  8.3819% (0.18   3.73  32.22) =   1.234%  kept
          HB2   PRO   93 - HN    CYS   53   6.09 +/- 1.67  10.637% *  0.1055% (0.41   0.02   0.02) =   0.016%
          HG2   PRO   58 - HN    CYS   53  10.87 +/- 0.74   0.160% *  0.2516% (0.98   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    CYS   53  12.78 +/- 1.30   0.061% *  0.0347% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    CYS   53  26.72 +/- 1.64   0.001% *  0.2561% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    CYS   53  25.09 +/- 1.15   0.001% *  0.0714% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    CYS   53  36.35 +/- 2.56   0.000% *  0.2567% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 0.66, support = 7.13, residual support = 51.4:
      O   HB3   PRO   52 - HN    CYS   53   4.13 +/- 0.28  76.802% * 77.7415% (0.65  10.0   7.30  52.41) =  94.764%  kept
          HG2   ARG+  54 - HN    CYS   53   5.54 +/- 0.43  15.379% * 21.4378% (0.90   1.0   3.98  32.22) =   5.233%  kept
          HB    ILE   56 - HN    CYS   53   6.77 +/- 1.28   7.538% *  0.0238% (0.20   1.0   0.02   0.02) =   0.003%
          HB3   GLN   90 - HN    CYS   53  12.11 +/- 1.15   0.163% *  0.0825% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    CYS   53  14.35 +/- 0.78   0.049% *  0.0680% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    CYS   53  14.90 +/- 1.18   0.043% *  0.0729% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    CYS   53  19.28 +/- 0.87   0.008% *  0.1042% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    CYS   53  22.78 +/- 0.92   0.003% *  0.1109% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    CYS   53  21.42 +/- 0.82   0.004% *  0.0777% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    CYS   53  24.63 +/- 1.67   0.002% *  0.1137% (0.95   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    CYS   53  21.49 +/- 1.04   0.004% *  0.0451% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    CYS   53  25.16 +/- 0.85   0.002% *  0.0918% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  22.43 +/- 0.86   0.003% *  0.0300% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.02 A, kept.
 
    Peak 983 (8.05, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.777, support = 5.85, residual support = 45.5:
        T HN    GLN   32 - HN    LEU   31   2.70 +/- 0.09  96.468% * 99.2679% (0.78 10.00   5.85  45.51) =  99.999%  kept
          HN    ALA   34 - HN    LEU   31   4.73 +/- 0.21   3.491% *  0.0183% (0.14  1.00   0.02   4.85) =   0.001%
          HN    THR   94 - HN    PHE   55  10.19 +/- 0.77   0.037% *  0.0145% (0.11  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    LEU   31  16.37 +/- 0.81   0.002% *  0.1186% (0.93  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  17.66 +/- 0.54   0.001% *  0.0296% (0.23  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  20.64 +/- 0.98   0.001% *  0.0578% (0.45  1.00   0.02   0.02) =   0.000%
        T HN    GLN   32 - HN    PHE   55  29.38 +/- 1.08   0.000% *  0.4843% (0.38 10.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  28.68 +/- 1.04   0.000% *  0.0089% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 0.529, support = 6.92, residual support = 50.9:
        T HN    GLN   30 - HN    LEU   31   2.52 +/- 0.08  96.825% * 81.8735% (0.53 10.00   6.96  51.23) =  99.307%  kept
          HN    GLU-  29 - HN    LEU   31   4.47 +/- 0.17   3.170% * 17.4590% (0.91  1.00   2.46   0.02) =   0.693%  kept
          HN    ASP-  86 - HN    LEU   31  14.84 +/- 0.87   0.003% *  0.0936% (0.60  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    LEU   31  15.87 +/- 0.70   0.002% *  0.0402% (0.26  1.00   0.02   0.02) =   0.000%
        T HN    GLN   30 - HN    PHE   55  26.75 +/- 0.98   0.000% *  0.3994% (0.26 10.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  17.93 +/- 1.12   0.001% *  0.0196% (0.13  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  21.55 +/- 0.92   0.000% *  0.0456% (0.29  1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  28.06 +/- 0.96   0.000% *  0.0691% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 3.15, residual support = 20.0:
      O   HA    PHE   55 - HN    PHE   55   2.83 +/- 0.05  94.390% * 99.0930% (0.48  10.0   3.15  20.05) =  99.998%  kept
          HA    TRP   27 - HN    LEU   31   4.70 +/- 0.33   4.930% *  0.0276% (0.13   1.0   0.02  14.11) =   0.001%
          HA    ALA  110 - HN    PHE   55   7.39 +/- 1.96   0.633% *  0.1465% (0.71   1.0   0.02   0.28) =   0.001%
          HA    ALA   91 - HN    PHE   55  11.26 +/- 1.02   0.029% *  0.0672% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    PHE   55  14.23 +/- 1.49   0.007% *  0.1308% (0.64   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    PHE   55  13.16 +/- 0.71   0.010% *  0.0925% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LEU   31  20.19 +/- 1.02   0.001% *  0.0991% (0.48   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  20.76 +/- 0.45   0.001% *  0.0701% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  24.27 +/- 1.46   0.000% *  0.1110% (0.54   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  23.00 +/- 0.49   0.000% *  0.0509% (0.25   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  23.33 +/- 0.99   0.000% *  0.0364% (0.18   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  28.34 +/- 1.16   0.000% *  0.0751% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 2.9, residual support = 20.0:
      O   QB    PHE   55 - HN    PHE   55   2.01 +/- 0.10  99.154% * 99.1124% (0.79  10.0   2.90  20.05) =  99.999%  kept
          HD2   ARG+  54 - HN    PHE   55   5.31 +/- 0.43   0.364% *  0.0867% (0.69   1.0   0.02   3.18) =   0.000%
          HB3   CYS   53 - HN    PHE   55   5.41 +/- 0.22   0.285% *  0.0923% (0.73   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   55   6.32 +/- 1.14   0.178% *  0.0998% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    PHE   55   8.81 +/- 1.09   0.019% *  0.0835% (0.66   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    LEU   31  19.48 +/- 0.76   0.000% *  0.0757% (0.60   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  21.69 +/- 1.67   0.000% *  0.1000% (0.79   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  22.66 +/- 1.44   0.000% *  0.0699% (0.56   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  23.17 +/- 0.66   0.000% *  0.0756% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  22.99 +/- 1.05   0.000% *  0.0633% (0.50   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  24.29 +/- 0.82   0.000% *  0.0751% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  29.54 +/- 1.78   0.000% *  0.0657% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 0.342, support = 3.3, residual support = 8.47:
      O   HA    ARG+  54 - HN    PHE   55   3.54 +/- 0.02  38.337% * 70.5495% (0.25  10.0   3.01   3.18) =  62.287%  kept
          HA    ASN   28 - HN    LEU   31   3.29 +/- 0.12  59.889% * 27.3399% (0.50   1.0   3.78  17.20) =  37.707%  kept
          HA    THR   26 - HN    LEU   31   6.49 +/- 0.20   1.037% *  0.1120% (0.39   1.0   0.02   0.02) =   0.003%
          HA    ALA   34 - HN    LEU   31   7.21 +/- 0.22   0.544% *  0.1671% (0.58   1.0   0.02   4.85) =   0.002%
          HA1   GLY  101 - HN    LEU   31  11.75 +/- 2.98   0.133% *  0.1728% (0.60   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    PHE   55  11.10 +/- 0.90   0.047% *  0.1983% (0.69   1.0   0.02   3.01) =   0.000%
          HA    GLU- 114 - HN    PHE   55  14.07 +/- 0.83   0.011% *  0.2162% (0.75   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   31  23.10 +/- 1.24   0.001% *  0.1502% (0.52   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    PHE   55  26.50 +/- 1.08   0.000% *  0.1909% (0.66   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   31  26.00 +/- 1.25   0.000% *  0.1638% (0.57   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    PHE   55  28.87 +/- 2.02   0.000% *  0.2281% (0.79   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    PHE   55  28.73 +/- 1.03   0.000% *  0.2206% (0.77   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    PHE   55  27.21 +/- 0.98   0.000% *  0.1479% (0.51   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  25.18 +/- 1.22   0.000% *  0.0509% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  26.30 +/- 1.71   0.000% *  0.0534% (0.19   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  27.09 +/- 1.96   0.000% *  0.0385% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 7.04, residual support = 231.8:
      O   HA    LEU   31 - HN    LEU   31   2.78 +/- 0.04 100.000% * 99.9512% (0.60  10.0   7.04 231.76) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  26.83 +/- 1.07   0.000% *  0.0488% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.474, support = 5.64, residual support = 41.8:
          HB2   GLN   30 - HN    LEU   31   3.27 +/- 0.25  56.879% * 34.0509% (0.48   6.10  51.23) =  70.649%  kept
          HB2   ARG+  54 - HN    PHE   55   3.52 +/- 0.17  36.730% * 14.6378% (0.39   3.27   3.18) =  19.612%  kept
          HG3   GLN   30 - HN    LEU   31   4.85 +/- 0.15   5.421% * 49.2399% (0.60   7.12  51.23) =   9.737%  kept
          HB2   PRO   93 - HN    PHE   55   7.16 +/- 1.35   0.800% *  0.0410% (0.18   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    PHE   55  11.05 +/- 0.83   0.042% *  0.1042% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   31  10.05 +/- 0.46   0.068% *  0.0430% (0.19   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LEU   31  12.86 +/- 0.98   0.016% *  0.1210% (0.52   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    PHE   55  14.26 +/- 1.04   0.009% *  0.1474% (0.64   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   55  13.83 +/- 1.23   0.011% *  0.1042% (0.45   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU   31  13.71 +/- 1.44   0.014% *  0.0679% (0.29   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU   31  16.76 +/- 0.68   0.003% *  0.0679% (0.29   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LEU   31  19.72 +/- 1.15   0.001% *  0.1210% (0.52   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   55  19.85 +/- 1.30   0.001% *  0.0896% (0.39   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LEU   31  20.09 +/- 0.94   0.001% *  0.0790% (0.34   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    PHE   55  23.29 +/- 1.53   0.000% *  0.1597% (0.69   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   55  22.83 +/- 0.82   0.000% *  0.0896% (0.39   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    PHE   55  24.94 +/- 1.04   0.000% *  0.1474% (0.64   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LEU   31  23.94 +/- 1.71   0.000% *  0.1117% (0.48   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    PHE   55  26.06 +/- 1.05   0.000% *  0.1825% (0.79   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  20.75 +/- 0.66   0.001% *  0.0310% (0.13   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  27.00 +/- 1.50   0.000% *  0.0790% (0.34   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  30.99 +/- 1.11   0.000% *  0.1597% (0.69   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  28.56 +/- 1.53   0.000% *  0.0679% (0.29   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  27.79 +/- 1.17   0.000% *  0.0568% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 7.04, residual support = 231.8:
      O   HB2   LEU   31 - HN    LEU   31   2.57 +/- 0.12  99.590% * 98.5368% (0.78  10.0   7.04 231.76) = 100.000%  kept
          HB3   PRO   93 - HN    PHE   55   6.85 +/- 0.65   0.318% *  0.0418% (0.33   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   31  10.49 +/- 1.15   0.027% *  0.1023% (0.81   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   31  12.45 +/- 0.82   0.009% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   55  11.62 +/- 1.13   0.014% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    PHE   55  12.58 +/- 1.39   0.009% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   31  14.47 +/- 0.82   0.004% *  0.1177% (0.93   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   31  13.77 +/- 0.44   0.004% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   31  12.43 +/- 0.60   0.008% *  0.0443% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    PHE   55  13.51 +/- 0.73   0.005% *  0.0570% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   31  14.05 +/- 0.90   0.004% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  14.66 +/- 0.78   0.003% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   31  18.42 +/- 0.70   0.001% *  0.1169% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  20.82 +/- 0.77   0.000% *  0.0857% (0.68   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  19.70 +/- 1.32   0.001% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  17.47 +/- 0.84   0.001% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   31  23.07 +/- 1.67   0.000% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  21.33 +/- 1.06   0.000% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  22.16 +/- 1.28   0.000% *  0.0499% (0.39   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  26.97 +/- 2.05   0.000% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  18.90 +/- 0.77   0.001% *  0.0114% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  27.86 +/- 1.16   0.000% *  0.0481% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  27.49 +/- 1.33   0.000% *  0.0280% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  33.36 +/- 1.18   0.000% *  0.0216% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 7.04, residual support = 231.8:
      O   HB3   LEU   31 - HN    LEU   31   3.53 +/- 0.01  98.294% * 99.4260% (0.83  10.0   7.04 231.76) = 100.000%  kept
          QG1   VAL   24 - HN    LEU   31   8.67 +/- 0.71   0.540% *  0.0247% (0.21   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LEU   31  10.98 +/- 0.27   0.110% *  0.0994% (0.83   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    PHE   55   8.84 +/- 1.09   0.496% *  0.0167% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    PHE   55   9.20 +/- 1.18   0.490% *  0.0167% (0.14   1.0   0.02   3.40) =   0.000%
          HG13  ILE  119 - HN    PHE   55  13.08 +/- 1.09   0.044% *  0.0499% (0.42   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    PHE   55  17.17 +/- 1.01   0.008% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    LEU   31  17.34 +/- 0.62   0.007% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    LEU   31  22.03 +/- 2.44   0.002% *  0.1023% (0.86   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    LEU   31  23.04 +/- 1.57   0.001% *  0.0583% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  21.00 +/- 1.44   0.002% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  19.61 +/- 1.47   0.004% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  27.42 +/- 1.10   0.000% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  30.00 +/- 1.92   0.000% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (0.79, 7.85, 118.81 ppm):
    10 chemical-shift based assignments, quality = 0.635, support = 7.49, residual support = 227.5:
          HG    LEU   31 - HN    LEU   31   2.53 +/- 0.56  90.108% * 76.3671% (0.64   7.58 231.76) =  97.985%  kept
          QD1   ILE   56 - HN    PHE   55   5.08 +/- 0.98   6.274% * 22.5032% (0.45   3.17  18.11) =   2.010%  kept
          QD2   LEU   73 - HN    LEU   31   6.42 +/- 0.75   0.724% *  0.2450% (0.78   0.02   1.37) =   0.003%
          QG1   VAL   41 - HN    LEU   31   5.49 +/- 0.85   2.890% *  0.0514% (0.16   0.02   0.02) =   0.002%
          QD2   LEU   73 - HN    PHE   55  16.96 +/- 1.11   0.002% *  0.1195% (0.38   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LEU   31  20.03 +/- 0.88   0.001% *  0.2907% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   31  22.12 +/- 1.49   0.000% *  0.2015% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    PHE   55  20.77 +/- 1.09   0.000% *  0.0983% (0.31   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    PHE   55  25.69 +/- 1.24   0.000% *  0.0983% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  21.25 +/- 0.93   0.000% *  0.0251% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.04 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.79, residual support = 231.8:
          QD2   LEU   31 - HN    LEU   31   2.20 +/- 0.28  99.854% * 97.7159% (0.18   6.79 231.76) =  99.998%  kept
          QG2   VAL   43 - HN    LEU   31   7.00 +/- 0.55   0.145% *  1.4409% (0.92   0.02   0.02) =   0.002%
          QG2   VAL   43 - HN    PHE   55  15.46 +/- 0.81   0.001% *  0.7029% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   31 - HN    PHE   55  20.45 +/- 0.91   0.000% *  0.1403% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.601, support = 1.37, residual support = 1.36:
          QD1   LEU   73 - HN    LEU   31   4.67 +/- 0.63  89.005% * 87.1273% (0.60   1.37   1.37) =  99.818%  kept
          QD2   LEU   80 - HN    LEU   31   8.56 +/- 0.63   3.000% *  1.8942% (0.90   0.02   0.02) =   0.073%
          QG1   VAL   83 - HN    LEU   31   9.04 +/- 0.98   3.015% *  1.2697% (0.60   0.02   0.02) =   0.049%
          QD2   LEU  115 - HN    PHE   55   8.56 +/- 1.03   3.787% *  0.9057% (0.43   0.02   3.01) =   0.044%
          QD1   LEU  104 - HN    LEU   31  13.22 +/- 1.09   0.266% *  1.9454% (0.92   0.02   0.02) =   0.007%
          QD1   LEU   63 - HN    PHE   55  10.93 +/- 0.72   0.686% *  0.6194% (0.29   0.02   0.02) =   0.005%
          QD1   LEU   63 - HN    LEU   31  15.11 +/- 1.00   0.102% *  1.2697% (0.60   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    PHE   55  16.93 +/- 0.85   0.046% *  0.9240% (0.44   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   31  20.81 +/- 1.91   0.015% *  1.8567% (0.88   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    PHE   55  17.91 +/- 0.92   0.038% *  0.6194% (0.29   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    PHE   55  20.24 +/- 0.96   0.017% *  0.9490% (0.45   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    PHE   55  19.26 +/- 0.85   0.023% *  0.6194% (0.29   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 2 structures by 0.30 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.67, support = 7.61, residual support = 50.9:
          HB3   GLN   30 - HN    LEU   31   2.99 +/- 0.34  91.829% * 87.2963% (0.68   7.65  51.23) =  98.964%  kept
          HB    ILE   56 - HN    PHE   55   4.94 +/- 0.74   7.727% * 10.8522% (0.17   3.77  18.11) =   1.035%  kept
          HB2   MET   92 - HN    PHE   55   8.95 +/- 1.35   0.252% *  0.1330% (0.39   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    PHE   55   9.48 +/- 1.03   0.141% *  0.1503% (0.44   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   31  13.21 +/- 0.30   0.014% *  0.1653% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    LEU   31  12.40 +/- 0.84   0.022% *  0.0485% (0.14   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   31  14.75 +/- 1.32   0.008% *  0.1179% (0.35   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   31  23.29 +/- 0.98   0.000% *  0.2726% (0.81   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   31  22.73 +/- 2.46   0.001% *  0.1779% (0.53   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  17.32 +/- 1.07   0.003% *  0.0237% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   31  26.20 +/- 0.93   0.000% *  0.3080% (0.91   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   31  23.95 +/- 1.23   0.000% *  0.1179% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  24.88 +/- 0.99   0.000% *  0.1113% (0.33   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  27.20 +/- 1.45   0.000% *  0.0575% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  32.46 +/- 1.13   0.000% *  0.0807% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  36.79 +/- 2.42   0.000% *  0.0868% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.541, support = 5.87, residual support = 43.4:
          HG2   GLN   30 - HN    LEU   31   4.99 +/- 0.18  51.550% * 75.4614% (0.49   7.16  51.23) =  76.853%  kept
          HB3   ASN   28 - HN    LEU   31   5.05 +/- 0.22  48.401% * 24.2059% (0.71   1.58  17.20) =  23.147%  kept
          QE    LYS+ 121 - HN    LEU   31  19.45 +/- 2.26   0.019% *  0.0542% (0.13   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    PHE   55  18.17 +/- 1.58   0.025% *  0.0264% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    PHE   55  24.64 +/- 1.12   0.004% *  0.1028% (0.24   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    PHE   55  28.53 +/- 1.06   0.002% *  0.1493% (0.35   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.19 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.639, support = 6.4, residual support = 51.2:
      O   HA    GLN   30 - HN    LEU   31   3.60 +/- 0.03  86.255% * 98.9089% (0.64  10.0   6.40  51.23) =  99.995%  kept
          HB2   CYS   53 - HN    PHE   55   5.11 +/- 0.14  10.641% *  0.0195% (0.13   1.0   0.02   0.02) =   0.002%
          HD3   PRO   52 - HN    PHE   55   6.55 +/- 0.26   2.472% *  0.0537% (0.35   1.0   0.02   0.02) =   0.002%
          HB    THR   39 - HN    LEU   31   9.38 +/- 0.57   0.296% *  0.1046% (0.68   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   31   9.72 +/- 0.65   0.236% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   31  14.91 +/- 1.64   0.022% *  0.1411% (0.91   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   31  16.10 +/- 1.55   0.013% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    PHE   55  14.82 +/- 1.14   0.020% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  13.58 +/- 0.99   0.034% *  0.0156% (0.10   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   31  18.03 +/- 0.47   0.006% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  24.35 +/- 0.76   0.001% *  0.0689% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  21.77 +/- 0.94   0.002% *  0.0321% (0.21   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  26.76 +/- 0.73   0.001% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  23.23 +/- 1.59   0.001% *  0.0400% (0.26   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  27.19 +/- 1.59   0.000% *  0.0537% (0.35   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  27.72 +/- 1.27   0.000% *  0.0510% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  27.41 +/- 1.03   0.000% *  0.0483% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  31.08 +/- 1.25   0.000% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 6.31, residual support = 158.7:
      O   HA    ARG+  54 - HN    ARG+  54   2.73 +/- 0.04  99.894% * 99.0002% (0.61  10.0   6.31 158.67) = 100.000%  kept
          HA    LEU  115 - HN    ASP-  62  10.12 +/- 1.55   0.056% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ARG+  54  13.00 +/- 0.87   0.010% *  0.1527% (0.94   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASP-  62  11.13 +/- 1.09   0.026% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ARG+  54  16.23 +/- 0.85   0.002% *  0.0990% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  14.32 +/- 1.13   0.005% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  17.36 +/- 1.19   0.002% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  16.25 +/- 1.44   0.003% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ARG+  54  25.69 +/- 1.25   0.000% *  0.1530% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  20.92 +/- 0.76   0.001% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  28.60 +/- 1.13   0.000% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  29.23 +/- 2.23   0.000% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  26.95 +/- 1.15   0.000% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  22.81 +/- 0.84   0.000% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  25.96 +/- 1.21   0.000% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  23.41 +/- 1.76   0.000% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  23.25 +/- 0.92   0.000% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  22.54 +/- 0.84   0.000% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 4.0, residual support = 74.5:
      O   HB2   TRP   49 - HN    TRP   49   3.57 +/- 0.07  99.925% * 99.6106% (0.98  10.0   4.00  74.54) = 100.000%  kept
          HA    ALA   84 - HN    TRP   49  13.36 +/- 0.71   0.039% *  0.1007% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    TRP   49  14.26 +/- 1.69   0.032% *  0.0911% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    TRP   49  22.47 +/- 1.16   0.002% *  0.0961% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    TRP   49  23.02 +/- 1.67   0.002% *  0.1014% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 2.55, residual support = 16.0:
          QB    ALA   47 - HE1   TRP   49   2.61 +/- 1.01  99.808% * 98.5650% (1.00   2.55  15.99) =  99.999%  kept
          QG1   VAL   42 - HE1   TRP   49  15.18 +/- 1.53   0.053% *  0.7486% (0.97   0.02   0.02) =   0.000%
          QB    ALA   64 - HE1   TRP   49  15.88 +/- 1.92   0.124% *  0.1535% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HE1   TRP   49  15.74 +/- 1.91   0.015% *  0.5328% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.76, residual support = 16.0:
          QB    ALA   47 - HN    TRP   49   2.83 +/- 0.25  99.992% * 99.0233% (1.00   3.76  15.99) = 100.000%  kept
          QG1   VAL   42 - HN    TRP   49  15.97 +/- 0.50   0.003% *  0.5096% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    TRP   49  18.39 +/- 1.65   0.002% *  0.3627% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    TRP   49  16.06 +/- 0.92   0.003% *  0.1045% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.771, support = 0.0659, residual support = 0.02:
          HB2   CYS   53 - HN    ALA   47   4.20 +/- 1.30  92.008% * 11.6490% (0.90   0.02   0.02) =  73.725%  kept
          HD3   PRO   52 - HN    ALA   47   7.11 +/- 0.73   6.976% * 53.2732% (0.41   0.20   0.02) =  25.562%  kept
          HD2   PRO   58 - HN    ALA   47  10.98 +/- 0.82   0.870% * 10.4009% (0.80   0.02   0.02) =   0.622%  kept
          HA    VAL   83 - HN    ALA   47  15.32 +/- 0.35   0.123% *  9.4320% (0.73   0.02   0.02) =   0.080%
          HA    GLN   30 - HN    ALA   47  21.07 +/- 0.43   0.018% *  6.3225% (0.49   0.02   0.02) =   0.008%
          HA    GLU- 100 - HN    ALA   47  25.75 +/- 0.52   0.005% *  8.9223% (0.69   0.02   0.02) =   0.003%
    Distance limit 4.30 A violated in 2 structures by 0.28 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 = 37.8:
      O   HB2   ASP-  44 - HN    ASP-  44   2.77 +/- 0.34  99.077% * 99.4473% (0.87  10.0   3.03  37.81) =  99.999%  kept
          HB3   PHE   72 - HN    ASP-  44   6.57 +/- 1.00   0.853% *  0.0876% (0.76   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ASP-  44  12.77 +/- 1.29   0.019% *  0.1085% (0.95   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP-  44  12.00 +/- 0.89   0.022% *  0.0788% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  44  14.57 +/- 1.55   0.007% *  0.0958% (0.84   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  44  12.79 +/- 1.26   0.013% *  0.0391% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ASP-  44  14.33 +/- 0.96   0.007% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ASP-  44  22.97 +/- 1.45   0.000% *  0.1028% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  19.86 +/- 0.74   0.001% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1005 (1.70, 8.78, 123.55 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 2.31, residual support = 6.66:
          HB2   LEU   73 - HN    ASP-  44   4.43 +/- 1.05  95.871% * 94.9081% (0.87   2.31   6.66) =  99.977%  kept
          QD    LYS+ 106 - HN    ASP-  44  11.38 +/- 0.91   0.982% *  0.9283% (0.98   0.02   0.02) =   0.010%
          QG1   ILE   56 - HN    ASP-  44  10.81 +/- 1.16   0.789% *  0.5744% (0.61   0.02   0.02) =   0.005%
          HB3   MET   92 - HN    ASP-  44  12.79 +/- 0.47   0.314% *  0.6877% (0.73   0.02   0.02) =   0.002%
          HB    ILE   89 - HN    ASP-  44  10.11 +/- 0.62   1.248% *  0.1461% (0.15   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    ASP-  44  14.39 +/- 0.61   0.142% *  0.9387% (0.99   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    ASP-  44  12.38 +/- 0.51   0.367% *  0.2923% (0.31   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    ASP-  44  14.48 +/- 0.88   0.151% *  0.4610% (0.49   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ASP-  44  18.88 +/- 1.06   0.033% *  0.5744% (0.61   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ASP-  44  16.13 +/- 0.89   0.074% *  0.1659% (0.18   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ASP-  44  19.08 +/- 1.48   0.029% *  0.3231% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 5 structures by 0.47 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.618, support = 0.0199, residual support = 3.31:
          HB2   LYS+  74 - HN    ASP-  44   6.16 +/- 0.34  62.605% * 11.2006% (0.65   0.02   3.76) =  73.104%  kept
          HD3   LYS+  74 - HN    ASP-  44   7.03 +/- 0.50  29.389% *  4.8140% (0.28   0.02   3.76) =  14.749%  kept
          QG2   THR   26 - HN    ASP-  44   9.24 +/- 0.33   5.701% * 15.5278% (0.90   0.02   0.02) =   9.228%  kept
          HG2   LYS+  65 - HN    ASP-  44  13.77 +/- 1.26   0.662% * 16.3785% (0.95   0.02   0.02) =   1.130%  kept
          HD2   LYS+ 121 - HN    ASP-  44  15.30 +/- 1.61   0.326% * 16.9713% (0.98   0.02   0.02) =   0.577%  kept
          QD    LYS+  66 - HN    ASP-  44  15.14 +/- 0.85   0.314% * 15.5278% (0.90   0.02   0.02) =   0.509%  kept
          HG    LEU  104 - HN    ASP-  44  13.83 +/- 0.87   0.552% *  7.1180% (0.41   0.02   0.02) =   0.410%
          HB3   LYS+ 121 - HN    ASP-  44  16.16 +/- 1.29   0.223% *  7.1180% (0.41   0.02   0.02) =   0.166%
          HB3   LYS+ 111 - HN    ASP-  44  16.35 +/- 1.67   0.228% *  5.3440% (0.31   0.02   0.02) =   0.127%
    Distance limit 4.57 A violated in 15 structures by 1.13 A, eliminated.
    Peak unassigned.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.71, residual support = 37.8:
      O   HB3   ASP-  44 - HN    ASP-  44   3.60 +/- 0.35  97.954% * 99.1884% (0.99  10.0   3.71  37.81) =  99.998%  kept
          HG    LEU   98 - HN    ASP-  44   9.17 +/- 1.20   0.566% *  0.0947% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    ASP-  44   9.36 +/- 0.81   0.394% *  0.0947% (0.95   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ASP-  44   9.56 +/- 0.41   0.319% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ASP-  44   9.67 +/- 0.65   0.319% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ASP-  44  10.12 +/- 0.66   0.247% *  0.0836% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ASP-  44  12.23 +/- 0.66   0.072% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP-  44  12.00 +/- 0.57   0.075% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  44  15.23 +/- 0.82   0.020% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  44  17.54 +/- 1.60   0.010% *  0.0647% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  44  18.78 +/- 1.17   0.005% *  0.0992% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  18.85 +/- 0.49   0.005% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  17.54 +/- 1.06   0.009% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  19.34 +/- 1.34   0.005% *  0.0198% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1008 (0.75, 8.78, 123.55 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 4.17, residual support = 15.4:
          QG1   VAL   43 - HN    ASP-  44   4.26 +/- 0.36  77.628% * 97.7625% (0.90   4.17  15.39) =  99.854%  kept
          QG2   VAL   18 - HN    ASP-  44   6.01 +/- 0.89  14.046% *  0.5212% (1.00   0.02   0.02) =   0.096%
          QG2   THR   46 - HN    ASP-  44   6.95 +/- 0.66   5.538% *  0.5177% (0.99   0.02   0.02) =   0.038%
          QG1   VAL   41 - HN    ASP-  44   8.80 +/- 0.50   1.148% *  0.3793% (0.73   0.02   0.02) =   0.006%
          QD1   ILE   19 - HN    ASP-  44   8.99 +/- 0.50   0.989% *  0.3992% (0.76   0.02   0.02) =   0.005%
          HG    LEU   31 - HN    ASP-  44  10.15 +/- 0.76   0.534% *  0.1034% (0.20   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    ASP-  44  12.87 +/- 0.68   0.118% *  0.3168% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1009 (0.06, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.71, residual support = 15.4:
          QG2   VAL   43 - HN    ASP-  44   2.97 +/- 0.32  97.900% * 99.0026% (0.65   3.71  15.39) =  99.994%  kept
          QD2   LEU   31 - HN    ASP-  44   7.34 +/- 0.59   0.567% *  0.6309% (0.76   0.02   0.02) =   0.004%
          QG2   VAL   83 - HN    ASP-  44   7.61 +/- 0.82   0.486% *  0.2548% (0.31   0.02   0.02) =   0.001%
          QD1   ILE   89 - HN    ASP-  44   6.62 +/- 0.43   1.046% *  0.1117% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.41 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.52, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    VAL   43   8.31 +/- 0.12  93.542% * 36.5033% (0.53   0.02   0.02) =  95.572%  kept
          HA    THR   23 - HN    VAL   43  13.43 +/- 0.63   5.495% * 21.4145% (0.31   0.02   0.02) =   3.293%  kept
          HA    ASP-  78 - HN    VAL   43  17.84 +/- 0.26   0.964% * 42.0822% (0.61   0.02   0.02) =   1.135%  kept
    Distance limit 4.47 A violated in 20 structures by 3.75 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   4.81 +/- 0.31 100.000% *100.0000% (0.53   1.50  16.41) = 100.000%  kept
    Distance limit 4.47 A violated in 1 structures by 0.35 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   3.01 +/- 0.50  99.560% * 97.4132% (0.97   2.96  16.41) =  99.998%  kept
          HB    VAL   70 - HN    VAL   43   9.33 +/- 0.99   0.209% *  0.6123% (0.90   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    VAL   43   9.39 +/- 0.56   0.177% *  0.1898% (0.28   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    VAL   43  13.36 +/- 0.84   0.018% *  0.5702% (0.84   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    VAL   43  13.25 +/- 1.04   0.019% *  0.3865% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    VAL   43  14.78 +/- 0.53   0.011% *  0.3323% (0.49   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   43  16.36 +/- 0.49   0.006% *  0.4957% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 60.5:
      O   HB    VAL   43 - HN    VAL   43   2.89 +/- 0.28  99.886% * 99.7821% (0.87  10.0   4.23  60.52) = 100.000%  kept
          HB2   LYS+  99 - HN    VAL   43  10.03 +/- 0.85   0.073% *  0.0879% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    VAL   43  11.51 +/- 0.73   0.032% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    VAL   43  17.19 +/- 0.70   0.003% *  0.0921% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   43  14.97 +/- 0.77   0.006% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1014 (1.37, 9.16, 125.94 ppm):
    15 chemical-shift based assignments, quality = 0.801, support = 5.03, residual support = 34.9:
          HB    VAL   42 - HN    VAL   43   4.50 +/- 0.10  44.070% * 63.3104% (0.84   5.64  39.91) =  85.815%  kept
          HG    LEU   98 - HN    VAL   43   5.08 +/- 1.20  30.852% *  7.9332% (0.49   1.21   0.25) =   7.528%  kept
          HB3   LEU   73 - HN    VAL   43   6.40 +/- 1.23   8.949% * 18.0205% (0.90   1.50   8.01) =   4.960%  kept
          HB3   ASP-  44 - HN    VAL   43   6.43 +/- 0.30   5.630% *  7.4545% (0.25   2.22  15.39) =   1.291%  kept
          QB    LEU   98 - HN    VAL   43   5.97 +/- 0.71   8.609% *  1.4901% (0.18   0.63   0.25) =   0.395%
          HG3   LYS+ 106 - HN    VAL   43   8.83 +/- 0.66   0.918% *  0.2682% (1.00   0.02   0.02) =   0.008%
          QB    ALA   84 - HN    VAL   43  11.16 +/- 0.44   0.186% *  0.1630% (0.61   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    VAL   43  11.86 +/- 0.77   0.145% *  0.1739% (0.65   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    VAL   43   9.74 +/- 0.64   0.456% *  0.0471% (0.18   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    VAL   43  13.40 +/- 1.09   0.065% *  0.2481% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    VAL   43  13.42 +/- 0.56   0.061% *  0.2054% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   43  15.54 +/- 1.17   0.029% *  0.2245% (0.84   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    VAL   43  17.05 +/- 1.22   0.017% *  0.1009% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   43  19.72 +/- 1.17   0.006% *  0.2594% (0.97   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   43  19.41 +/- 1.42   0.008% *  0.1009% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 5.24, residual support = 60.5:
          QG1   VAL   43 - HN    VAL   43   2.29 +/- 0.40  99.473% * 98.2079% (0.90   5.24  60.52) =  99.998%  kept
          QG1   VAL   41 - HN    VAL   43   6.37 +/- 0.43   0.330% *  0.3038% (0.73   0.02   1.57) =   0.001%
          QG2   VAL   18 - HN    VAL   43   8.62 +/- 0.85   0.067% *  0.4174% (1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   43   9.36 +/- 0.70   0.037% *  0.2537% (0.61   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   43  10.35 +/- 0.65   0.021% *  0.4146% (0.99   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   43  10.29 +/- 0.78   0.026% *  0.3197% (0.76   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   43   8.98 +/- 0.75   0.045% *  0.0828% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.69, support = 1.92, residual support = 1.59:
          QG2   VAL   41 - HN    VAL   43   4.77 +/- 0.71  27.200% * 84.4065% (0.73   2.26   1.57) =  83.496%  kept
          QD2   LEU   98 - HN    VAL   43   4.13 +/- 1.19  54.276% *  6.7575% (0.53   0.25   0.25) =  13.339%  kept
          QD1   LEU   73 - HN    VAL   43   5.21 +/- 0.61  12.864% *  6.4818% (0.45   0.28   8.01) =   3.032%  kept
          QD2   LEU   63 - HN    VAL   43   7.61 +/- 1.04   2.159% *  1.0103% (0.98   0.02   0.02) =   0.079%
          QD1   LEU   63 - HN    VAL   43   7.20 +/- 1.07   2.822% *  0.4621% (0.45   0.02   0.02) =   0.047%
          QD1   LEU   80 - HN    VAL   43  11.00 +/- 0.78   0.175% *  0.5423% (0.53   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    VAL   43   9.16 +/- 0.55   0.421% *  0.1590% (0.15   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    VAL   43  12.44 +/- 1.92   0.084% *  0.1805% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.23 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.13, residual support = 39.9:
          QG1   VAL   42 - HN    VAL   43   2.91 +/- 0.28  99.817% * 99.2445% (0.97   5.13  39.91) = 100.000%  kept
          QB    ALA   64 - HN    VAL   43   8.63 +/- 0.62   0.169% *  0.0794% (0.20   0.02   0.02) =   0.000%
          QB    ALA   47 - HN    VAL   43  13.18 +/- 0.29   0.013% *  0.4004% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   43  19.48 +/- 1.78   0.001% *  0.2757% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.821, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HN    VAL   43   6.29 +/- 0.67  59.434% * 27.6841% (0.73   0.02   0.02) =  53.449%  kept
          QD1   ILE   89 - HN    VAL   43   7.12 +/- 0.46  28.866% * 34.1913% (0.90   0.02   0.02) =  32.061%  kept
          QG2   VAL   83 - HN    VAL   43   8.47 +/- 0.90  11.700% * 38.1246% (1.00   0.02   0.02) =  14.490%  kept
    Distance limit 3.96 A violated in 20 structures by 1.73 A, eliminated.
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.762, support = 5.05, residual support = 18.3:
          HB    VAL   41 - HN    VAL   42   3.95 +/- 0.37  28.334% * 85.4579% (0.97   5.58  23.26) =  72.676%  kept
          HB2   LEU   71 - HN    VAL   42   3.31 +/- 0.44  71.194% * 12.7863% (0.22   3.62   5.24) =  27.322%  kept
          HG12  ILE  103 - HN    VAL   42   9.26 +/- 0.56   0.178% *  0.3172% (1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    VAL   42  12.14 +/- 0.55   0.034% *  0.2649% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   42  11.37 +/- 0.89   0.057% *  0.1082% (0.34   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    VAL   42  10.81 +/- 0.87   0.076% *  0.0489% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL   42  12.81 +/- 1.54   0.051% *  0.0706% (0.22   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL   42  11.68 +/- 0.38   0.042% *  0.0628% (0.20   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   42  13.23 +/- 0.49   0.022% *  0.0791% (0.25   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   42  18.05 +/- 1.87   0.006% *  0.2845% (0.90   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   42  17.15 +/- 0.66   0.005% *  0.1796% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   42  22.05 +/- 0.87   0.001% *  0.2845% (0.90   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL   42  22.71 +/- 1.69   0.001% *  0.0555% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 5.72, residual support = 88.6:
      O   HB    VAL   42 - HN    VAL   42   2.44 +/- 0.11  97.224% * 99.1706% (0.98  10.0   5.72  88.62) =  99.998%  kept
          HB3   LEU   73 - HN    VAL   42   6.02 +/- 1.25   1.392% *  0.0957% (0.95   1.0   0.02   1.11) =   0.001%
          QB    LEU   98 - HN    VAL   42   5.95 +/- 0.48   0.568% *  0.0573% (0.57   1.0   0.02   0.77) =   0.000%
          HG    LEU   98 - HN    VAL   42   6.12 +/- 1.15   0.751% *  0.0137% (0.14   1.0   0.02   0.77) =   0.000%
          HG3   LYS+  33 - HN    VAL   42   9.90 +/- 0.65   0.025% *  0.1009% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    VAL   42  11.91 +/- 0.65   0.008% *  0.0773% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   42  11.11 +/- 0.83   0.012% *  0.0312% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    VAL   42  13.60 +/- 1.10   0.004% *  0.0934% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   42  14.86 +/- 1.10   0.002% *  0.0992% (0.98   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   42  13.88 +/- 2.17   0.005% *  0.0281% (0.28   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   42  16.48 +/- 1.60   0.001% *  0.0845% (0.84   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  13.91 +/- 0.37   0.003% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  14.34 +/- 0.69   0.003% *  0.0177% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  15.34 +/- 0.78   0.002% *  0.0225% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   42  22.67 +/- 1.50   0.000% *  0.0878% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.922, residual support = 1.35:
          QD1   LEU   40 - HN    VAL   42   4.00 +/- 0.71  97.913% * 97.2316% (0.98   0.92   1.35) =  99.963%  kept
          QD2   LEU   67 - HN    VAL   42   9.08 +/- 0.99   2.023% *  1.7218% (0.80   0.02   0.02) =   0.037%
          QG1   VAL  108 - HN    VAL   42  14.32 +/- 0.54   0.064% *  1.0466% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.43 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.827, support = 4.79, residual support = 33.1:
          QG1   VAL   43 - HN    VAL   42   3.93 +/- 0.64  56.466% * 50.1836% (0.90   4.42  39.91) =  59.100%  kept
          QG1   VAL   41 - HN    VAL   42   4.12 +/- 0.31  40.079% * 48.9152% (0.73   5.32  23.26) =  40.889%  kept
          QD1   ILE   19 - HN    VAL   42   8.03 +/- 1.11   1.339% *  0.1936% (0.76   0.02   0.02) =   0.005%
          QG2   VAL   18 - HN    VAL   42   8.55 +/- 0.66   0.556% *  0.2528% (1.00   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    VAL   42   7.94 +/- 1.29   1.199% *  0.0501% (0.20   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    VAL   42   9.42 +/- 0.64   0.301% *  0.1536% (0.61   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    VAL   42  12.28 +/- 0.75   0.060% *  0.2511% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.718, support = 5.76, residual support = 22.6:
          QG2   VAL   41 - HN    VAL   42   3.43 +/- 0.71  63.921% * 89.8082% (0.73   5.93  23.26) =  96.902%  kept
          QD1   LEU   73 - HN    VAL   42   4.16 +/- 0.44  25.323% *  6.0223% (0.45   0.64   1.11) =   2.574%  kept
          QD2   LEU   98 - HN    VAL   42   4.98 +/- 0.77   9.529% *  3.2165% (0.53   0.29   0.77) =   0.517%  kept
          QD2   LEU   63 - HN    VAL   42   8.13 +/- 1.41   0.668% *  0.4090% (0.98   0.02   0.02) =   0.005%
          QD1   LEU   63 - HN    VAL   42   8.55 +/- 1.31   0.430% *  0.1871% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    VAL   42  12.27 +/- 0.63   0.029% *  0.2195% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   42  10.41 +/- 0.46   0.081% *  0.0644% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   42  14.44 +/- 2.20   0.019% *  0.0731% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.42, residual support = 88.6:
          QG1   VAL   42 - HN    VAL   42   3.48 +/- 0.12  99.987% * 99.2555% (0.87   5.42  88.62) = 100.000%  kept
          QB    ALA   47 - HN    VAL   42  15.91 +/- 0.28   0.011% *  0.3229% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   42  22.35 +/- 1.98   0.002% *  0.4216% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 0.598, support = 5.27, residual support = 87.1:
          QG2   VAL   42 - HN    VAL   42   3.37 +/- 0.18  76.355% * 94.1653% (0.61   5.34  88.62) =  98.233%  kept
          QG2   VAL   70 - HN    VAL   42   4.16 +/- 0.24  23.175% *  5.5741% (0.14   1.42   1.33) =   1.765%  kept
          QG2   VAL   75 - HN    VAL   42   7.93 +/- 0.26   0.470% *  0.2606% (0.45   0.02   0.02) =   0.002%
    Distance limit 3.58 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 = 4.5, residual support = 74.9:
      O   HB    VAL   41 - HN    VAL   41   3.12 +/- 0.45  94.091% * 99.3523% (0.90  10.0   4.50  74.88) =  99.996%  kept
          HB2   LEU   71 - HN    VAL   41   5.61 +/- 0.59   4.832% *  0.0672% (0.61   1.0   0.02   4.31) =   0.003%
          HG12  ILE  103 - HN    VAL   41   7.72 +/- 0.48   0.606% *  0.0847% (0.76   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    VAL   41   8.19 +/- 1.14   0.434% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    VAL   41  13.49 +/- 0.64   0.019% *  0.1098% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   41  15.60 +/- 0.49   0.008% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   41  19.70 +/- 0.77   0.002% *  0.1048% (0.95   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   41  18.49 +/- 1.96   0.003% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   41  16.46 +/- 1.15   0.006% *  0.0171% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  24.94 +/- 0.89   0.000% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1027 (1.43, 9.02, 128.16 ppm):
    13 chemical-shift based assignments, quality = 0.175, support = 3.79, residual support = 19.8:
          HG    LEU   40 - HN    VAL   41   3.48 +/- 0.73  98.060% * 80.6484% (0.18   3.79  19.79) =  99.961%  kept
          HG    LEU   73 - HN    VAL   41   8.72 +/- 1.02   0.894% *  1.4750% (0.61   0.02   0.02) =   0.017%
          HB3   LEU   67 - HN    VAL   41  10.43 +/- 1.53   0.319% *  2.3005% (0.95   0.02   0.02) =   0.009%
          HG2   LYS+ 102 - HN    VAL   41   9.74 +/- 1.30   0.359% *  1.1838% (0.49   0.02   0.02) =   0.005%
          HG12  ILE   19 - HN    VAL   41  12.39 +/- 1.93   0.152% *  2.1810% (0.90   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HN    VAL   41  13.14 +/- 2.32   0.103% *  0.8296% (0.34   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    VAL   41  14.85 +/- 0.91   0.031% *  1.9473% (0.80   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    VAL   41  15.43 +/- 0.67   0.022% *  2.4265% (1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    VAL   41  17.43 +/- 0.81   0.011% *  2.3470% (0.97   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   41  18.34 +/- 0.98   0.008% *  2.3005% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   41  15.39 +/- 0.94   0.022% *  0.7506% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   41  17.29 +/- 0.69   0.011% *  1.1838% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   41  18.34 +/- 1.59   0.009% *  0.4259% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.852, support = 1.48, residual support = 8.68:
          QB    ALA   34 - HN    VAL   41   4.27 +/- 0.30  79.288% * 73.9243% (0.90   1.48   9.35) =  92.753%  kept
          QG2   THR   39 - HN    VAL   41   5.56 +/- 0.48  19.872% * 23.0210% (0.28   1.49   0.11) =   7.239%  kept
          HG3   LYS+  38 - HN    VAL   41   9.63 +/- 0.96   0.732% *  0.5857% (0.53   0.02   0.02) =   0.007%
          QG2   THR   23 - HN    VAL   41  16.08 +/- 0.46   0.028% *  1.1033% (0.99   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    VAL   41  16.11 +/- 1.80   0.036% *  0.8083% (0.73   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    VAL   41  15.84 +/- 0.46   0.031% *  0.2478% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    VAL   41  18.55 +/- 1.08   0.013% *  0.3095% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.42, residual support = 19.8:
          QD2   LEU   40 - HN    VAL   41   2.66 +/- 0.53  99.080% * 97.7064% (0.92   4.42  19.79) =  99.997%  kept
          QD2   LEU   71 - HN    VAL   41   7.40 +/- 0.52   0.336% *  0.3098% (0.65   0.02   4.31) =   0.001%
          QG2   ILE  103 - HN    VAL   41   8.42 +/- 0.23   0.162% *  0.4746% (0.99   0.02   0.02) =   0.001%
          QD1   ILE  103 - HN    VAL   41   8.00 +/- 0.66   0.265% *  0.2519% (0.53   0.02   0.02) =   0.001%
          QD1   LEU   67 - HN    VAL   41   8.72 +/- 1.21   0.131% *  0.4530% (0.95   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    VAL   41  13.46 +/- 2.01   0.015% *  0.1633% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    VAL   41  16.56 +/- 0.89   0.003% *  0.4778% (1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    VAL   41  14.08 +/- 0.64   0.007% *  0.1633% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.52, residual support = 74.9:
          QG1   VAL   41 - HN    VAL   41   2.50 +/- 0.51  97.735% * 98.2017% (1.00   4.52  74.88) =  99.994%  kept
          QG1   VAL   43 - HN    VAL   41   5.91 +/- 0.65   1.087% *  0.4108% (0.95   0.02   1.57) =   0.005%
          QD2   LEU   73 - HN    VAL   41   7.25 +/- 0.61   0.333% *  0.1947% (0.45   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    VAL   41   6.73 +/- 0.53   0.629% *  0.0859% (0.20   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    VAL   41   8.76 +/- 1.06   0.156% *  0.2634% (0.61   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   41  10.77 +/- 1.39   0.042% *  0.1340% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    VAL   41  11.99 +/- 0.68   0.013% *  0.3319% (0.76   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   41  15.62 +/- 0.77   0.003% *  0.2809% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    VAL   41  16.45 +/- 1.22   0.002% *  0.0967% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.717, support = 4.23, residual support = 72.6:
          QG2   VAL   41 - HN    VAL   41   3.00 +/- 0.89  82.341% * 78.9916% (0.73   4.37  74.88) =  95.379%  kept
          QD2   LEU   98 - HN    VAL   41   4.31 +/- 0.49  16.016% * 19.6470% (0.53   1.50  25.33) =   4.614%  kept
          QD1   LEU   73 - HN    VAL   41   7.04 +/- 0.70   1.156% *  0.2234% (0.45   0.02   0.02) =   0.004%
          QD2   LEU   63 - HN    VAL   41   9.56 +/- 1.28   0.288% *  0.4884% (0.98   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    VAL   41  10.47 +/- 1.13   0.147% *  0.2234% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    VAL   41  15.02 +/- 0.49   0.011% *  0.2621% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   41  13.03 +/- 0.59   0.025% *  0.0769% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   41  15.93 +/- 2.13   0.016% *  0.0873% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 2.71, residual support = 2.71:
          QG2   VAL   70 - HN    VAL   41   4.79 +/- 0.50  98.992% * 98.4423% (0.18   2.71   2.71) =  99.984%  kept
          QG2   THR  118 - HN    VAL   41  10.68 +/- 1.11   1.008% *  1.5577% (0.38   0.02   0.02) =   0.016%
    Distance limit 4.77 A violated in 0 structures by 0.24 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.407, support = 1.46, residual support = 29.6:
          HA    VAL   70 - HN    LEU   40   4.39 +/- 0.83  85.541% * 38.8794% (0.28   1.64  37.04) =  79.947%  kept
          HB2   SER   37 - HN    LEU   40   6.31 +/- 0.25  14.136% * 58.9770% (0.92   0.75   0.14) =  20.041%  kept
          HA1   GLY   16 - HN    LEU   40  11.84 +/- 1.70   0.304% *  1.6700% (0.98   0.02   0.02) =   0.012%
          HA    GLN  116 - HN    LEU   40  19.94 +/- 1.71   0.018% *  0.4737% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 3.92, residual support = 23.7:
          HB    THR   39 - HN    LEU   40   3.80 +/- 0.23  97.681% * 94.9838% (0.41   3.93  23.71) =  99.990%  kept
          HB3   SER   37 - HN    LEU   40   7.27 +/- 0.39   2.086% *  0.3273% (0.28   0.02   0.14) =   0.007%
          HA    GLN   30 - HN    LEU   40  11.65 +/- 0.76   0.140% *  1.1136% (0.95   0.02   0.02) =   0.002%
          QB    SER   13 - HN    LEU   40  13.33 +/- 2.15   0.086% *  0.5278% (0.45   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   40  24.36 +/- 1.41   0.002% *  0.8997% (0.76   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   40  24.56 +/- 1.44   0.001% *  0.6665% (0.57   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   40  21.92 +/- 0.55   0.003% *  0.3273% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   40  28.96 +/- 0.59   0.001% *  1.1539% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 0.544, support = 0.762, residual support = 12.3:
          QE    LYS+  99 - HN    LEU   40   4.42 +/- 0.76  89.357% * 50.6997% (0.57   0.73  13.40) =  91.554%  kept
          QE    LYS+  38 - HN    LEU   40   8.43 +/- 1.50   9.958% * 41.8462% (0.31   1.11   0.02) =   8.421%  kept
          HB2   PHE   97 - HN    LEU   40  10.90 +/- 0.66   0.390% *  2.3656% (0.97   0.02   0.73) =   0.019%
          HB3   TRP   27 - HN    LEU   40  14.79 +/- 0.67   0.068% *  2.4026% (0.98   0.02   0.02) =   0.003%
          QE    LYS+ 106 - HN    LEU   40  15.56 +/- 1.06   0.050% *  1.3877% (0.57   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HN    LEU   40  12.99 +/- 0.95   0.146% *  0.3782% (0.15   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    LEU   40  17.29 +/- 1.38   0.031% *  0.9200% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.65 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.73, residual support = 99.0:
      O   HB2   LEU   40 - HN    LEU   40   2.63 +/- 0.29  99.984% * 99.7221% (0.97  10.0   4.73  99.03) = 100.000%  kept
          HB3   MET   96 - HN    LEU   40  13.73 +/- 0.67   0.007% *  0.0954% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   40  13.84 +/- 1.60   0.006% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU   40  15.52 +/- 1.09   0.003% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  20.93 +/- 2.71   0.001% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  28.54 +/- 1.20   0.000% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.61, support = 4.94, residual support = 99.0:
      O   HB3   LEU   40 - HN    LEU   40   2.30 +/- 0.22  97.631% * 68.9554% (0.61  10.0   4.93  99.03) =  98.993%  kept
          HG    LEU   40 - HN    LEU   40   4.36 +/- 0.25   2.247% * 30.4738% (0.92   1.0   5.81  99.03) =   1.007%  kept
          HG    LEU   67 - HN    LEU   40   9.26 +/- 1.38   0.042% *  0.1114% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   40   9.02 +/- 1.50   0.054% *  0.0175% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   40  10.56 +/- 1.20   0.016% *  0.0510% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   40  12.47 +/- 1.67   0.006% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   40  16.00 +/- 1.34   0.001% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   40  13.87 +/- 1.01   0.003% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   40  20.32 +/- 1.55   0.000% *  0.1049% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   40  21.35 +/- 1.83   0.000% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.3, support = 3.61, residual support = 22.9:
          QG2   THR   39 - HN    LEU   40   2.56 +/- 0.44  97.409% * 39.3691% (0.28   3.68  23.71) =  96.439%  kept
          QB    ALA   34 - HN    LEU   40   5.11 +/- 0.30   2.419% * 58.5210% (0.90   1.70   0.02) =   3.559%  kept
          HG3   LYS+  38 - HN    LEU   40   8.05 +/- 0.74   0.168% *  0.4045% (0.53   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    LEU   40  18.02 +/- 0.44   0.001% *  0.7621% (0.99   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   40  17.84 +/- 1.60   0.002% *  0.5583% (0.73   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LEU   40  18.64 +/- 0.43   0.001% *  0.1712% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   40  21.66 +/- 1.22   0.000% *  0.2138% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.874, support = 1.27, residual support = 27.5:
          QG1   VAL   70 - HN    LEU   40   5.11 +/- 1.14  56.978% * 64.6263% (0.84   1.50  37.04) =  72.998%  kept
          QD1   LEU   71 - HN    LEU   40   5.58 +/- 1.43  42.011% * 32.4039% (0.98   0.64   1.84) =  26.986%  kept
          HB3   LEU  104 - HN    LEU   40  11.11 +/- 0.71   0.434% *  0.9523% (0.92   0.02   0.02) =   0.008%
          QD1   LEU  123 - HN    LEU   40  13.81 +/- 1.97   0.179% *  1.0112% (0.98   0.02   0.02) =   0.004%
          QG1   VAL   18 - HN    LEU   40  12.96 +/- 0.85   0.204% *  0.7491% (0.73   0.02   0.02) =   0.003%
          HB3   LEU   63 - HN    LEU   40  12.49 +/- 1.05   0.194% *  0.2572% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 4 structures by 0.40 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.548, support = 4.69, residual support = 94.4:
          QD2   LEU   40 - HN    LEU   40   4.08 +/- 0.25  88.190% * 65.8883% (0.53   4.86  99.03) =  95.195%  kept
          QD2   LEU   71 - HN    LEU   40   6.18 +/- 0.71   9.087% * 32.1829% (0.98   1.27   1.84) =   4.791%  kept
          QD1   LEU   67 - HN    LEU   40   8.01 +/- 1.20   2.214% *  0.2919% (0.57   0.02   0.02) =   0.011%
          QD1   ILE  103 - HN    LEU   40  11.63 +/- 0.71   0.195% *  0.4759% (0.92   0.02   0.02) =   0.002%
          QG2   ILE  103 - HN    LEU   40  11.60 +/- 0.39   0.186% *  0.3541% (0.69   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    LEU   40  13.66 +/- 1.97   0.116% *  0.3940% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU   40  18.14 +/- 0.91   0.012% *  0.4128% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.14, residual support = 37.0:
          QG2   VAL   70 - HN    LEU   40   4.15 +/- 0.96 100.000% *100.0000% (0.57   6.14  37.04) = 100.000%  kept
    Distance limit 4.33 A violated in 1 structures by 0.27 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.231, support = 1.87, residual support = 7.94:
          HA    ALA   34 - HN    THR   39   2.65 +/- 0.19  99.540% * 22.7411% (0.22   1.88   8.06) =  98.557%  kept
          HA    GLU-  36 - HN    THR   39   6.58 +/- 0.06   0.451% * 73.4768% (0.80   1.69   0.02) =   1.442%  kept
          HA    ASN   28 - HN    THR   39  12.77 +/- 0.37   0.008% *  0.4085% (0.38   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    THR   39  21.16 +/- 2.37   0.001% *  1.0503% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    THR   39  25.49 +/- 0.63   0.000% *  0.9760% (0.90   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    THR   39  23.33 +/- 1.38   0.000% *  0.3712% (0.34   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    THR   39  29.44 +/- 1.57   0.000% *  0.9760% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 0.86, support = 2.73, residual support = 6.04:
          HA    SER   37 - HN    THR   39   4.24 +/- 0.08  83.144% * 52.1218% (0.90   2.64   2.99) =  85.299%  kept
          HA    LEU   40 - HN    THR   39   5.56 +/- 0.06  16.293% * 45.8292% (0.65   3.22  23.71) =  14.698%  kept
          HA    GLU-  15 - HN    THR   39  12.29 +/- 1.07   0.164% *  0.3677% (0.84   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    THR   39  11.01 +/- 0.13   0.271% *  0.1501% (0.34   0.02   0.02) =   0.001%
          HA    SER   13 - HN    THR   39  14.43 +/- 2.48   0.097% *  0.3677% (0.84   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    THR   39  16.58 +/- 1.01   0.025% *  0.3947% (0.90   0.02   0.02) =   0.000%
          HA    THR   46 - HN    THR   39  23.36 +/- 0.32   0.003% *  0.4164% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    THR   39  24.64 +/- 0.89   0.002% *  0.3525% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.408, support = 3.69, residual support = 37.2:
      O   HB    THR   39 - HN    THR   39   2.62 +/- 0.24  73.857% * 92.6106% (0.41  10.0   3.73  38.08) =  97.583%  kept
          HB3   SER   37 - HN    THR   39   3.27 +/- 0.43  26.096% *  6.4922% (0.28   1.0   2.07   2.99) =   2.417%  kept
          HA    GLN   30 - HN    THR   39   9.47 +/- 0.67   0.036% *  0.2131% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    THR   39  12.97 +/- 2.48   0.010% *  0.1010% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    THR   39  24.05 +/- 1.59   0.000% *  0.1722% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  23.84 +/- 0.47   0.000% *  0.0626% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  27.37 +/- 1.46   0.000% *  0.1275% (0.57   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    THR   39  31.68 +/- 0.58   0.000% *  0.2208% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 0.719, support = 3.36, residual support = 24.6:
          QG2   THR   39 - HN    THR   39   3.43 +/- 0.42  55.549% * 20.4897% (0.49   3.63  38.08) =  48.501%  kept
          QB    ALA   34 - HN    THR   39   3.66 +/- 0.18  38.877% * 23.1398% (1.00   2.00   8.06) =  38.334%  kept
          HG3   LYS+  38 - HN    THR   39   5.28 +/- 0.44   5.537% * 55.7965% (0.76   6.30  22.80) =  13.165%  kept
          HG13  ILE   19 - HN    THR   39  12.52 +/- 1.05   0.031% *  0.0459% (0.20   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    THR   39  17.27 +/- 0.59   0.004% *  0.2012% (0.87   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    THR   39  20.73 +/- 1.74   0.001% *  0.2141% (0.92   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    THR   39  23.67 +/- 1.01   0.001% *  0.1129% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 6.59, residual support = 218.2:
      O   HA    LYS+  38 - HN    LYS+  38   2.21 +/- 0.01  99.570% * 99.7734% (0.80  10.0   6.59 218.18) = 100.000%  kept
          HA    GLU- 100 - HN    LYS+  38   6.43 +/- 1.29   0.430% *  0.0705% (0.57   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LYS+  38  17.84 +/- 0.35   0.000% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    LYS+  38  21.72 +/- 1.22   0.000% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  29.46 +/- 1.06   0.000% *  0.0559% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (2.18, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 218.2:
      O   HB2   LYS+  38 - HN    LYS+  38   3.18 +/- 0.16  99.922% * 99.7624% (1.00  10.0   5.63 218.18) = 100.000%  kept
          HB3   GLU-  29 - HN    LYS+  38  13.00 +/- 0.64   0.024% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  38  14.93 +/- 0.65   0.010% *  0.0724% (0.73   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    LYS+  38  12.79 +/- 1.27   0.036% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    LYS+  38  16.65 +/- 1.41   0.006% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  19.19 +/- 0.44   0.002% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  29.66 +/- 0.60   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 218.2:
      O   HB3   LYS+  38 - HN    LYS+  38   4.02 +/- 0.09  93.374% * 99.4497% (0.90  10.0   5.20 218.18) =  99.998%  kept
          QB    LYS+  33 - HN    LYS+  38   6.37 +/- 0.35   6.340% *  0.0219% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    LYS+  38  11.01 +/- 0.84   0.259% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  38  17.98 +/- 0.55   0.012% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LYS+  38  20.36 +/- 3.43   0.011% *  0.0247% (0.22   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  28.22 +/- 1.13   0.001% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  38  28.95 +/- 0.88   0.001% *  0.0994% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  29.71 +/- 0.64   0.001% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  25.18 +/- 0.69   0.002% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  29.11 +/- 0.95   0.001% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 218.2:
          HG2   LYS+  38 - HN    LYS+  38   3.32 +/- 0.27  99.554% * 98.4029% (0.65   5.85 218.18) =  99.999%  kept
          HG2   LYS+  99 - HN    LYS+  38   9.20 +/- 0.99   0.257% *  0.2734% (0.53   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    LYS+  38   9.67 +/- 0.26   0.181% *  0.1157% (0.22   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LYS+  38  21.17 +/- 0.55   0.002% *  0.4916% (0.95   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LYS+  38  21.90 +/- 0.84   0.001% *  0.4916% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LYS+  38  17.75 +/- 0.71   0.005% *  0.0802% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  38  30.55 +/- 2.44   0.000% *  0.1445% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1051 (3.87, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.43, residual support = 26.8:
      O   HB3   SER   37 - HN    SER   37   2.55 +/- 0.33  97.701% * 99.5080% (0.99  10.0   3.43  26.81) =  99.998%  kept
          HB    THR   39 - HN    SER   37   5.13 +/- 0.29   2.201% *  0.0995% (0.99   1.0   0.02   2.99) =   0.002%
          HA    GLN   30 - HN    SER   37   8.66 +/- 0.50   0.087% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   37  13.42 +/- 2.62   0.011% *  0.0984% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   37  24.17 +/- 1.02   0.000% *  0.0729% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   37  23.96 +/- 1.68   0.000% *  0.0767% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  25.31 +/- 0.49   0.000% *  0.0995% (0.99   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  33.54 +/- 0.57   0.000% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1052 (2.15, 7.91, 112.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 19.0:
          QB    GLU-  36 - HN    SER   37   3.37 +/- 0.23  99.273% * 98.3047% (1.00   3.72  19.02) =  99.999%  kept
          HG3   GLU- 100 - HN    SER   37   8.56 +/- 1.44   0.633% *  0.0926% (0.18   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    SER   37  11.60 +/- 0.72   0.066% *  0.4585% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    SER   37  13.60 +/- 0.74   0.027% *  0.2573% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    SER   37  24.20 +/- 0.92   0.001% *  0.5239% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    SER   37  29.70 +/- 0.60   0.000% *  0.3631% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1053 (1.30, 7.91, 112.05 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 4.1, residual support = 13.2:
          HG2   LYS+  38 - HN    SER   37   4.86 +/- 0.17  98.947% * 97.0563% (0.38   4.11  13.20) =  99.996%  kept
          HG2   LYS+  99 - HN    SER   37  10.74 +/- 0.97   0.966% *  0.3503% (0.28   0.02   0.02) =   0.004%
          QG2   THR   23 - HN    SER   37  16.87 +/- 0.76   0.060% *  0.4298% (0.34   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    SER   37  20.99 +/- 0.55   0.016% *  1.2488% (0.99   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    SER   37  22.22 +/- 0.76   0.011% *  0.9149% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.41 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.05, residual support = 51.6:
          HB2   ASN   35 - HN    GLU-  36   3.57 +/- 0.10  92.097% * 97.9497% (0.65   6.05  51.61) =  99.962%  kept
          QE    LYS+  33 - HN    GLU-  36   5.86 +/- 0.90   7.830% *  0.4340% (0.87   0.02   0.02) =   0.038%
          HB2   ASN   28 - HN    GLU-  36  11.95 +/- 0.47   0.067% *  0.4733% (0.95   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  36  19.68 +/- 1.02   0.003% *  0.4733% (0.95   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  36  22.65 +/- 1.84   0.002% *  0.4992% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  36  27.34 +/- 0.71   0.000% *  0.1707% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1055 (2.47, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.85, residual support = 86.7:
          HG2   GLU-  36 - HN    GLU-  36   3.51 +/- 0.53  99.988% * 99.4353% (0.97   4.85  86.71) = 100.000%  kept
          HG3   MET   96 - HN    GLU-  36  17.15 +/- 0.82   0.011% *  0.3399% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    GLU-  36  25.82 +/- 0.79   0.001% *  0.1593% (0.38   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  36  31.71 +/- 2.07   0.000% *  0.0655% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1056 (2.14, 7.76, 119.36 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 7.31, residual support = 86.7:
      O   QB    GLU-  36 - HN    GLU-  36   2.11 +/- 0.07  99.970% * 99.6951% (0.90  10.0   7.31  86.71) = 100.000%  kept
          HG3   GLU- 100 - HN    GLU-  36   9.74 +/- 1.54   0.017% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  36  10.04 +/- 0.58   0.009% *  0.0674% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  36  11.89 +/- 0.63   0.003% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  23.32 +/- 0.90   0.000% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  18.02 +/- 0.39   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  29.11 +/- 0.71   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (2.29, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.647, support = 4.85, residual support = 86.7:
          HG3   GLU-  36 - HN    GLU-  36   4.04 +/- 0.08  99.727% * 97.3241% (0.65   4.85  86.71) =  99.999%  kept
          QG    GLU-  15 - HN    GLU-  36  12.98 +/- 1.69   0.137% *  0.2779% (0.45   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLU-  36  17.71 +/- 3.27   0.038% *  0.5559% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLU-  36  14.47 +/- 1.55   0.059% *  0.1913% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLU-  36  16.59 +/- 0.66   0.022% *  0.1546% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  36  19.17 +/- 0.65   0.009% *  0.2114% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU-  36  23.10 +/- 0.88   0.003% *  0.3017% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    GLU-  36  26.06 +/- 1.79   0.002% *  0.3509% (0.57   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  36  24.18 +/- 0.90   0.002% *  0.1227% (0.20   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU-  36  30.65 +/- 1.02   0.001% *  0.4010% (0.65   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  36  31.86 +/- 0.88   0.000% *  0.1086% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1058 (3.55, 6.53, 110.12 ppm):
    3 chemical-shift based assignments, quality = 0.253, support = 0.0199, residual support = 0.0199:
          HA2   GLY  101 - HD22  ASN   35   8.30 +/- 2.47  94.011% * 14.8773% (0.20   0.02   0.02) =  84.585%  kept
          HB2   TRP   27 - HD22  ASN   35  15.17 +/- 1.30   5.859% * 42.5614% (0.57   0.02   0.02) =  15.082%  kept
          HD2   PRO   93 - HD22  ASN   35  28.47 +/- 1.60   0.129% * 42.5614% (0.57   0.02   0.02) =   0.333%
    Distance limit 4.74 A violated in 17 structures by 3.51 A, eliminated.
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 3.59, residual support = 55.3:
      O   HB2   ASN   35 - HD22  ASN   35   3.65 +/- 0.23  99.535% * 99.5004% (0.76  10.0   3.59  55.35) = 100.000%  kept
          QE    LYS+  33 - HD22  ASN   35  10.62 +/- 1.19   0.324% *  0.0995% (0.76   1.0   0.02   1.35) =   0.000%
          HB2   ASN   28 - HD22  ASN   35  12.17 +/- 1.17   0.126% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD22  ASN   35  17.39 +/- 1.81   0.013% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   35  25.68 +/- 1.84   0.001% *  0.1256% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   35  28.11 +/- 1.50   0.001% *  0.0325% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 0.762, support = 1.58, residual support = 6.01:
          HA    GLN   32 - HD21  ASN   35   3.91 +/- 0.58  96.392% * 53.9916% (0.76   1.59   6.11) =  97.803%  kept
          HA    LYS+  33 - HD21  ASN   35   7.11 +/- 0.54   2.843% * 40.9259% (0.69   1.34   1.35) =   2.186%  kept
          HA    GLU-  29 - HD21  ASN   35   8.97 +/- 0.73   0.713% *  0.7437% (0.83   0.02   0.02) =   0.010%
          HA    VAL   70 - HD21  ASN   35  15.13 +/- 1.23   0.036% *  0.3342% (0.38   0.02   0.02) =   0.000%
          HA    VAL   18 - HD21  ASN   35  19.53 +/- 1.29   0.007% *  0.7723% (0.87   0.02   0.02) =   0.000%
          HB2   SER   82 - HD21  ASN   35  21.48 +/- 1.49   0.004% *  0.8219% (0.92   0.02   0.02) =   0.000%
          HA    ALA   88 - HD21  ASN   35  22.87 +/- 1.40   0.003% *  0.7129% (0.80   0.02   0.02) =   0.000%
          HA    SER   48 - HD21  ASN   35  29.40 +/- 1.29   0.001% *  0.8593% (0.96   0.02   0.02) =   0.000%
          HA    GLN  116 - HD21  ASN   35  28.79 +/- 1.93   0.001% *  0.3342% (0.38   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD21  ASN   35  31.54 +/- 1.28   0.000% *  0.5041% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 3.59, residual support = 55.3:
      O   HB2   ASN   35 - HD21  ASN   35   2.55 +/- 0.47  99.669% * 99.3188% (0.61  10.0   3.59  55.35) = 100.000%  kept
          QE    LYS+  33 - HD21  ASN   35   9.39 +/- 1.26   0.275% *  0.1469% (0.90   1.0   0.02   1.35) =   0.000%
          HB2   ASN   28 - HD21  ASN   35  10.78 +/- 0.87   0.054% *  0.1580% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD21  ASN   35  16.85 +/- 1.41   0.003% *  0.1512% (0.92   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   35  24.94 +/- 1.87   0.000% *  0.1637% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   35  26.95 +/- 1.22   0.000% *  0.0615% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1062 (4.00, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.645, support = 4.12, residual support = 44.1:
      O   HA    GLN   32 - HN    GLN   32   2.72 +/- 0.02  79.597% * 97.8105% (0.65  10.0   4.13  44.20) =  99.678%  kept
          HA    GLU-  29 - HN    GLN   32   3.47 +/- 0.11  18.900% *  1.3228% (0.92   1.0   0.19   0.02) =   0.320%
          HA    LYS+  33 - HN    GLN   32   5.29 +/- 0.05   1.494% *  0.1211% (0.80   1.0   0.02  11.38) =   0.002%
          HA    VAL   18 - HN    GLN   32  15.52 +/- 0.83   0.002% *  0.1430% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   32  14.14 +/- 0.99   0.004% *  0.0736% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   32  17.64 +/- 1.51   0.001% *  0.1482% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   32  20.87 +/- 0.77   0.000% *  0.1039% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   32  24.75 +/- 0.93   0.000% *  0.1356% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  27.77 +/- 1.49   0.000% *  0.0736% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  27.95 +/- 0.84   0.000% *  0.0678% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 5.6, residual support = 149.9:
      O   HA    LYS+  33 - HN    LYS+  33   2.86 +/- 0.01  95.694% * 99.4322% (0.87  10.0   5.60 149.87) =  99.996%  kept
          HA    GLU-  29 - HN    LYS+  33   5.03 +/- 0.50   4.031% *  0.0832% (0.73   1.0   0.02   0.02) =   0.004%
          HB2   SER   37 - HN    LYS+  33   7.78 +/- 0.41   0.251% *  0.0558% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  33  12.58 +/- 0.97   0.015% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  33  14.59 +/- 0.76   0.006% *  0.0787% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  33  19.87 +/- 1.61   0.001% *  0.0695% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LYS+  33  16.97 +/- 1.61   0.003% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  27.42 +/- 1.48   0.000% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  25.51 +/- 0.85   0.000% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.484, support = 3.39, residual support = 20.3:
      O   HA    ASN   28 - HN    GLU-  29   3.65 +/- 0.00  25.342% * 72.6983% (0.18  10.0   5.10  33.82) =  58.258%  kept
          HA    THR   26 - HN    GLU-  29   3.11 +/- 0.12  66.498% * 18.9739% (0.95   1.0   0.97   1.41) =  39.899%  kept
          HA    GLU-  25 - HN    GLU-  29   4.45 +/- 0.18   8.104% *  7.1912% (0.22   1.0   1.56   0.02) =   1.843%  kept
          HA    ALA   34 - HN    GLU-  29  11.15 +/- 0.41   0.032% *  0.1281% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  29  12.69 +/- 0.29   0.014% *  0.1707% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU-  29  15.68 +/- 3.01   0.009% *  0.2021% (0.49   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  29  24.59 +/- 1.04   0.000% *  0.2851% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLU-  29  29.03 +/- 1.20   0.000% *  0.2685% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLU-  29  25.94 +/- 1.06   0.000% *  0.0821% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 3.89, residual support = 94.7:
      O   HB2   ASN   28 - HD22  ASN   28   3.46 +/- 0.20  99.318% * 99.6000% (0.95  10.0   3.89  94.66) =  99.999%  kept
          HB2   ASP-  86 - HD22  ASN   28   8.75 +/- 0.61   0.453% *  0.0996% (0.95   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD22  ASN   28  10.97 +/- 1.36   0.130% *  0.0913% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD22  ASN   28  11.54 +/- 0.92   0.087% *  0.0681% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   28  16.30 +/- 0.80   0.010% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   28  22.05 +/- 1.96   0.002% *  0.1051% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1066 (2.72, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.07, residual support = 155.6:
      O   HG2   GLN   30 - HE21  GLN   30   3.73 +/- 0.04  99.819% * 99.8337% (0.61  10.0   4.07 155.65) = 100.000%  kept
          HB3   ASN   28 - HE21  GLN   30  10.86 +/- 0.21   0.168% *  0.1375% (0.84   1.0   0.02   8.66) =   0.000%
          QE    LYS+ 121 - HE21  GLN   30  18.06 +/- 2.81   0.013% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 0.607, support = 4.03, residual support = 155.6:
      O   HG2   GLN   30 - HE22  GLN   30   2.76 +/- 0.08  99.926% * 99.8337% (0.61  10.0   4.03 155.65) = 100.000%  kept
          HB3   ASN   28 - HE22  GLN   30   9.30 +/- 0.32   0.072% *  0.1375% (0.84   1.0   0.02   8.66) =   0.000%
          QE    LYS+ 121 - HE22  GLN   30  18.11 +/- 2.52   0.002% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (2.73, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.6, residual support = 94.7:
      O   HB3   ASN   28 - HD22  ASN   28   3.27 +/- 0.35  99.103% * 99.7665% (0.90  10.0   3.60  94.66) =  99.999%  kept
          HG2   GLN   30 - HD22  ASN   28   7.28 +/- 0.72   0.893% *  0.1110% (1.00   1.0   0.02   8.66) =   0.001%
          QE    LYS+ 121 - HD22  ASN   28  20.58 +/- 1.82   0.002% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD22  ASN   28  22.86 +/- 1.78   0.001% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 1.29, residual support = 11.9:
          QG2   VAL   24 - HD22  ASN   28   3.10 +/- 0.30  99.994% * 97.3500% (0.97   1.29  11.91) = 100.000%  kept
          HG    LEU   63 - HD22  ASN   28  20.38 +/- 1.37   0.002% *  1.3593% (0.87   0.02   0.02) =   0.000%
          QG1   VAL  107 - HD22  ASN   28  17.38 +/- 0.92   0.004% *  0.5881% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD22  ASN   28  29.09 +/- 1.85   0.000% *  0.7026% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 5.86, residual support = 92.2:
      O   HA    GLU-  29 - HN    GLU-  29   2.71 +/- 0.01  99.684% * 99.3483% (0.84  10.0   5.86  92.21) = 100.000%  kept
          HA    LYS+  33 - HN    GLU-  29   9.29 +/- 0.45   0.065% *  0.1125% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLU-  29   7.48 +/- 0.26   0.233% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLU-  29  13.95 +/- 1.33   0.007% *  0.0864% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLU-  29  15.15 +/- 0.48   0.003% *  0.0952% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLU-  29  14.28 +/- 0.64   0.005% *  0.0446% (0.38   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLU-  29  16.75 +/- 0.69   0.002% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  19.29 +/- 0.48   0.001% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  21.66 +/- 0.93   0.000% *  0.0406% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  28.70 +/- 1.29   0.000% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 5.9, residual support = 33.8:
          HB2   ASN   28 - HN    GLU-  29   2.20 +/- 0.06  99.898% * 98.6829% (0.97   5.90  33.82) = 100.000%  kept
          QE    LYS+  33 - HN    GLU-  29   8.27 +/- 1.63   0.091% *  0.3107% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  29  10.70 +/- 0.72   0.008% *  0.2101% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  29  13.13 +/- 0.57   0.002% *  0.3198% (0.92   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  29  18.07 +/- 0.81   0.000% *  0.1300% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  29  22.26 +/- 2.36   0.000% *  0.3465% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.661, support = 5.67, residual support = 32.9:
          HB3   ASN   28 - HN    GLU-  29   3.48 +/- 0.16  93.953% * 48.2490% (0.65   5.75  33.82) =  93.593%  kept
          HG2   GLN   30 - HN    GLU-  29   5.59 +/- 0.28   6.044% * 51.3378% (0.87   4.56  19.15) =   6.407%  kept
          QE    LYS+ 121 - HN    GLU-  29  22.87 +/- 2.07   0.001% *  0.2454% (0.95   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLU-  29  24.52 +/- 1.67   0.001% *  0.1678% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 5.32, residual support = 92.2:
          HG2   GLU-  29 - HN    GLU-  29   3.09 +/- 0.63  94.065% * 97.7241% (0.57   5.32  92.21) =  99.988%  kept
          QG    GLN   32 - HN    GLU-  29   6.09 +/- 1.15   5.898% *  0.1804% (0.28   0.02   0.02) =   0.012%
          HB3   ASP-  86 - HN    GLU-  29  13.11 +/- 0.72   0.028% *  0.2668% (0.41   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLU-  29  15.99 +/- 0.60   0.008% *  0.6433% (0.99   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLU-  29  22.04 +/- 0.70   0.001% *  0.5421% (0.84   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLU-  29  28.17 +/- 2.20   0.000% *  0.6433% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1075 (4.15, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.611, support = 3.67, residual support = 7.43:
          HA    ASN   28 - HN    GLN   30   3.77 +/- 0.10  53.691% * 57.5209% (0.45   4.66   8.66) =  68.456%  kept
          HA    THR   26 - HN    GLN   30   4.07 +/- 0.26  35.191% * 40.4260% (0.97   1.52   4.77) =  31.534%  kept
          HA1   GLY  101 - HN    LYS+  99   5.14 +/- 0.61  10.447% *  0.0302% (0.05   0.02   1.41) =   0.007%
          HA    ALA   34 - HN    GLN   30   8.80 +/- 0.46   0.352% *  0.3563% (0.65   0.02   0.44) =   0.003%
          HA1   GLY  101 - HN    GLN   30  14.20 +/- 3.00   0.046% *  0.4601% (0.84   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLN   30  10.77 +/- 0.31   0.100% *  0.0850% (0.15   0.02   9.84) =   0.000%
          HA    ALA   34 - HN    LYS+  99  10.40 +/- 0.71   0.130% *  0.0234% (0.04   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  99  14.14 +/- 1.09   0.021% *  0.0162% (0.03   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLN   30  24.08 +/- 1.11   0.001% *  0.2681% (0.49   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLN   30  27.25 +/- 1.20   0.000% *  0.5211% (0.95   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLN   30  23.34 +/- 1.03   0.001% *  0.1879% (0.34   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+  99  18.10 +/- 1.13   0.005% *  0.0342% (0.06   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  16.96 +/- 1.33   0.007% *  0.0176% (0.03   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+  99  18.96 +/- 1.05   0.003% *  0.0349% (0.06   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  18.66 +/- 0.96   0.004% *  0.0056% (0.01   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  22.70 +/- 1.16   0.001% *  0.0123% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 5.37, residual support = 19.1:
      O   HA    GLU-  29 - HN    GLN   30   3.49 +/- 0.02  96.657% * 99.3278% (1.00  10.0   5.37  19.15) =  99.998%  kept
          HA    LYS+  33 - HN    GLN   30   7.67 +/- 0.31   0.890% *  0.0976% (0.98   1.0   0.02   0.17) =   0.001%
          HA    GLN   32 - HN    GLN   30   6.68 +/- 0.19   2.018% *  0.0374% (0.38   1.0   0.02   1.61) =   0.001%
          HA    VAL   18 - HN    GLN   30  12.94 +/- 0.53   0.039% *  0.0987% (0.99   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   30  14.04 +/- 0.69   0.024% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   30  15.37 +/- 1.43   0.016% *  0.0961% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN   30  11.96 +/- 0.63   0.063% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  10.29 +/- 0.78   0.164% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  19.43 +/- 0.53   0.003% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   30  21.27 +/- 0.87   0.002% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  14.65 +/- 0.82   0.019% *  0.0064% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  13.47 +/- 0.99   0.033% *  0.0025% (0.02   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  16.81 +/- 1.06   0.008% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  16.86 +/- 0.82   0.008% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  12.76 +/- 0.77   0.044% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   30  26.59 +/- 1.32   0.001% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  18.69 +/- 1.34   0.005% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  25.05 +/- 0.79   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  19.46 +/- 1.01   0.003% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  23.20 +/- 1.42   0.001% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  26.56 +/- 0.71   0.001% *  0.0042% (0.04   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  25.96 +/- 0.73   0.001% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 6.32, residual support = 155.6:
      O   HA    GLN   30 - HN    GLN   30   2.83 +/- 0.01  99.853% * 99.5516% (0.92  10.0   6.32 155.65) = 100.000%  kept
          HB    THR   39 - HN    GLN   30  10.73 +/- 0.57   0.036% *  0.0483% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   30  10.78 +/- 0.78   0.035% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLN   30  14.46 +/- 1.55   0.007% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   30  15.65 +/- 1.51   0.004% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99  10.38 +/- 0.62   0.043% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  18.53 +/- 0.45   0.001% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  14.88 +/- 1.08   0.005% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  13.18 +/- 0.77   0.010% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLN   30  22.95 +/- 1.52   0.000% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLN   30  26.54 +/- 0.74   0.000% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  18.07 +/- 0.73   0.002% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  20.00 +/- 1.92   0.001% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  21.87 +/- 1.43   0.001% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  24.04 +/- 1.47   0.000% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  27.21 +/- 0.72   0.000% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.994, support = 6.95, residual support = 149.6:
          HG2   GLN   30 - HN    GLN   30   3.46 +/- 0.21  89.732% * 71.4178% (1.00   7.12 155.65) =  95.910%  kept
          HB3   ASN   28 - HN    GLN   30   5.05 +/- 0.06   9.649% * 28.3211% (0.90   3.14   8.66) =   4.090%  kept
          QE    LYS+ 121 - HN    LYS+  99  10.17 +/- 2.33   0.539% *  0.0096% (0.05   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    GLN   30  20.98 +/- 2.25   0.002% *  0.1461% (0.73   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  12.81 +/- 2.02   0.054% *  0.0050% (0.02   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  15.68 +/- 1.10   0.012% *  0.0132% (0.07   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LYS+  99  15.98 +/- 1.14   0.011% *  0.0119% (0.06   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLN   30  22.05 +/- 1.68   0.002% *  0.0755% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.81, residual support = 155.6:
      O   HB3   GLN   30 - HN    GLN   30   2.61 +/- 0.57  95.967% * 98.7410% (0.69  10.0   6.81 155.65) =  99.997%  kept
          QB    LYS+  33 - HN    GLN   30   5.54 +/- 0.58   2.655% *  0.1044% (0.73   1.0   0.02   0.17) =   0.003%
          HB    ILE  103 - HN    LYS+  99   6.22 +/- 0.24   1.017% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.51 +/- 0.38   0.149% *  0.0057% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.28 +/- 0.32   0.085% *  0.0085% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   30  15.13 +/- 0.40   0.005% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99   9.97 +/- 0.80   0.067% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   30  16.06 +/- 0.61   0.004% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   30  16.48 +/- 0.51   0.003% *  0.1289% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   30  17.34 +/- 0.98   0.002% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  13.63 +/- 1.34   0.017% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  13.16 +/- 0.65   0.013% *  0.0069% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  21.61 +/- 1.61   0.001% *  0.1151% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   30  19.77 +/- 0.84   0.001% *  0.0872% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   30  20.71 +/- 0.90   0.001% *  0.0700% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  15.78 +/- 2.00   0.010% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  24.30 +/- 1.16   0.000% *  0.1387% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  23.55 +/- 1.04   0.000% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  27.14 +/- 1.78   0.000% *  0.0814% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  26.31 +/- 0.93   0.000% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  21.23 +/- 1.12   0.001% *  0.0091% (0.06   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  22.19 +/- 0.89   0.001% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  22.36 +/- 0.79   0.000% *  0.0076% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  22.34 +/- 0.72   0.000% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  23.93 +/- 0.74   0.000% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  28.10 +/- 1.35   0.000% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1080 (0.79, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.803, support = 5.81, residual support = 50.4:
          HG    LEU   31 - HN    GLN   30   4.45 +/- 0.71  57.228% * 89.4266% (0.80   5.90  51.23) =  98.285%  kept
          QD2   LEU   73 - HN    GLN   30   6.49 +/- 0.70   9.053% *  9.7988% (0.92   0.56   4.25) =   1.704%  kept
          QG1   VAL   41 - HN    GLN   30   7.32 +/- 0.84   4.098% *  0.0944% (0.25   0.02   0.02) =   0.007%
          QG1   VAL   41 - HN    LYS+  99   5.44 +/- 1.25  28.814% *  0.0062% (0.02   0.02   0.02) =   0.003%
          QD2   LEU   73 - HN    LYS+  99  10.75 +/- 0.66   0.276% *  0.0230% (0.06   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LYS+  99  11.54 +/- 1.39   0.271% *  0.0199% (0.05   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  99  11.45 +/- 1.16   0.235% *  0.0141% (0.04   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    GLN   30  20.45 +/- 0.86   0.006% *  0.3778% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    GLN   30  23.87 +/- 1.51   0.002% *  0.2144% (0.57   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LYS+  99  17.02 +/- 0.94   0.018% *  0.0248% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 1 structures by 0.25 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 4.76:
          QG2   THR   26 - HN    GLN   30   4.00 +/- 0.17  95.898% * 94.2903% (0.73   2.00   4.77) =  99.995%  kept
          HB3   LEU   40 - HN    LYS+  99   7.24 +/- 0.73   3.574% *  0.0619% (0.05   0.02  13.40) =   0.002%
          HB2   LYS+  74 - HN    GLN   30  12.55 +/- 0.32   0.103% *  1.2283% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    GLN   30  13.94 +/- 0.63   0.061% *  0.9429% (0.73   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    LYS+  99  12.27 +/- 1.96   0.235% *  0.0483% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLN   30  21.17 +/- 1.95   0.006% *  0.8400% (0.65   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    GLN   30  23.43 +/- 2.07   0.003% *  0.7352% (0.57   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  99  15.56 +/- 0.98   0.030% *  0.0619% (0.05   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LYS+  99  14.87 +/- 0.95   0.042% *  0.0415% (0.03   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    GLN   30  23.42 +/- 0.96   0.003% *  0.6320% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    GLN   30  21.90 +/- 0.78   0.004% *  0.2891% (0.22   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    GLN   30  26.12 +/- 1.74   0.001% *  0.6320% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  99  18.64 +/- 0.87   0.010% *  0.0807% (0.06   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+  99  17.01 +/- 1.28   0.018% *  0.0190% (0.01   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+  99  20.48 +/- 0.90   0.006% *  0.0552% (0.04   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  99  19.86 +/- 1.53   0.007% *  0.0415% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.389, support = 6.38, residual support = 155.6:
      O   HB2   GLN   30 - HN    GLN   30   2.99 +/- 0.66  54.669% * 87.6872% (0.41  10.0   6.42 155.65) =  90.583%  kept
          HG3   GLN   30 - HN    GLN   30   3.23 +/- 0.30  44.697% * 11.1501% (0.18   1.0   5.97 155.65) =   9.417%  kept
          HB3   GLU- 100 - HN    LYS+  99   6.43 +/- 0.39   0.609% *  0.0048% (0.02   1.0   0.02  39.69) =   0.000%
          HB2   GLU-  14 - HN    GLN   30  14.30 +/- 1.31   0.005% *  0.1122% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLN   30  15.18 +/- 1.05   0.003% *  0.0728% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLN   30  21.09 +/- 0.64   0.000% *  0.2058% (0.97   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLN   30  22.06 +/- 2.57   0.001% *  0.1208% (0.57   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLN   30  21.17 +/- 1.05   0.000% *  0.1380% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  13.55 +/- 0.92   0.007% *  0.0058% (0.03   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.55 +/- 0.32   0.003% *  0.0091% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  25.39 +/- 1.31   0.000% *  0.0956% (0.45   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLN   30  24.97 +/- 1.64   0.000% *  0.0877% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  19.05 +/- 0.79   0.001% *  0.0135% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  28.32 +/- 1.53   0.000% *  0.1549% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLN   30  26.56 +/- 0.83   0.000% *  0.0956% (0.45   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  17.07 +/- 1.67   0.001% *  0.0058% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  15.96 +/- 1.13   0.002% *  0.0025% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  21.07 +/- 1.50   0.000% *  0.0074% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  23.37 +/- 1.07   0.000% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  25.22 +/- 1.23   0.000% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  28.37 +/- 2.48   0.000% *  0.0079% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  28.18 +/- 1.09   0.000% *  0.0102% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.917, support = 4.75, residual support = 19.1:
          HB3   GLU-  29 - HN    GLN   30   3.83 +/- 0.22  80.161% * 43.2877% (0.90   4.55  19.15) =  76.347%  kept
          HG3   GLU-  29 - HN    GLN   30   5.05 +/- 0.56  19.172% * 56.0688% (0.98   5.39  19.15) =  23.651%  kept
          QB    GLU-  36 - HN    GLN   30   9.14 +/- 0.33   0.436% *  0.1287% (0.61   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLN   30  14.09 +/- 0.87   0.035% *  0.1116% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   30  14.79 +/- 0.38   0.024% *  0.1287% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LYS+  99  11.45 +/- 0.81   0.119% *  0.0085% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLN   30  21.87 +/- 1.21   0.002% *  0.2103% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  13.92 +/- 0.86   0.037% *  0.0085% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  18.39 +/- 1.05   0.007% *  0.0125% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  19.69 +/- 1.09   0.004% *  0.0137% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  23.18 +/- 1.01   0.002% *  0.0138% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  23.78 +/- 1.13   0.001% *  0.0073% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.23, residual support = 92.2:
      O   HB2   GLU-  29 - HN    GLU-  29   2.46 +/- 0.42  99.990% * 99.4303% (0.76  10.0   5.23  92.21) = 100.000%  kept
          HB3   ASP-  76 - HN    GLU-  29  15.22 +/- 0.73   0.003% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  14.20 +/- 0.71   0.004% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLU-  29  16.98 +/- 0.90   0.002% *  0.1042% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  29  22.48 +/- 0.73   0.000% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  17.78 +/- 1.63   0.001% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  25.39 +/- 1.39   0.000% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  25.02 +/- 1.57   0.000% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.776, support = 5.43, residual support = 92.2:
      O   HB3   GLU-  29 - HN    GLU-  29   3.28 +/- 0.50  40.036% * 67.9006% (0.65  10.0   4.84  92.21) =  59.337%  kept
          HG3   GLU-  29 - HN    GLU-  29   3.16 +/- 0.39  58.506% * 31.8415% (0.97   1.0   6.29  92.21) =  40.662%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.71 +/- 0.36   1.408% *  0.0142% (0.14   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  29  10.35 +/- 0.43   0.039% *  0.0358% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  29  13.56 +/- 0.93   0.008% *  0.0292% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  29  16.80 +/- 0.32   0.002% *  0.0910% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  21.84 +/- 1.31   0.000% *  0.0877% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 0.94, support = 3.06, residual support = 155.6:
      O   HG3   GLN   30 - HE21  GLN   30   4.15 +/- 0.01  30.347% * 85.8318% (0.99  10.0   2.74 155.65) =  73.377%  kept
          HB2   GLN   30 - HE21  GLN   30   3.58 +/- 0.55  69.090% * 13.6781% (0.80   1.0   3.95 155.65) =  26.622%  kept
          QB    GLU-  15 - HE21  GLN   30   8.78 +/- 1.12   0.365% *  0.0422% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HE21  GLN   30  10.59 +/- 0.85   0.106% *  0.0422% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HE21  GLN   30  14.73 +/- 1.42   0.025% *  0.0751% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HE21  GLN   30  14.62 +/- 1.48   0.016% *  0.0751% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE21  GLN   30  12.69 +/- 0.48   0.039% *  0.0267% (0.31   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HE21  GLN   30  20.44 +/- 1.78   0.003% *  0.0693% (0.80   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HE21  GLN   30  19.83 +/- 1.34   0.003% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  18.40 +/- 0.95   0.004% *  0.0193% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  25.17 +/- 1.54   0.001% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  24.99 +/- 1.64   0.001% *  0.0422% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 0.267, support = 1.45, residual support = 9.84:
          QG2   ILE   19 - HE21  GLN   30   2.80 +/- 0.63  77.102% * 30.6354% (0.18   1.50   9.84) =  61.258%  kept
          QD1   ILE   19 - HE21  GLN   30   3.77 +/- 1.11  22.771% * 65.5925% (0.41   1.37   9.84) =  38.736%  kept
          QD1   LEU   98 - HE21  GLN   30  10.63 +/- 1.38   0.096% *  2.0918% (0.90   0.02   0.02) =   0.005%
          QD2   LEU  104 - HE21  GLN   30  14.26 +/- 1.17   0.012% *  1.3205% (0.57   0.02   0.02) =   0.000%
          QG2   THR   46 - HE21  GLN   30  12.23 +/- 0.90   0.019% *  0.3599% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 0.22, support = 1.97, residual support = 9.84:
          QG2   ILE   19 - HE22  GLN   30   3.52 +/- 0.60  85.216% * 40.0217% (0.18   2.13   9.84) =  80.887%  kept
          QD1   ILE   19 - HE22  GLN   30   4.99 +/- 1.00  14.243% * 56.5158% (0.41   1.28   9.84) =  19.091%  kept
          QD1   LEU   98 - HE22  GLN   30   9.95 +/- 1.18   0.426% *  1.9201% (0.90   0.02   0.02) =   0.019%
          QD2   LEU  104 - HE22  GLN   30  14.04 +/- 1.03   0.042% *  1.2121% (0.57   0.02   0.02) =   0.001%
          QG2   THR   46 - HE22  GLN   30  12.00 +/- 0.78   0.073% *  0.3303% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1089 (3.61, 8.06, 119.69 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.93, residual support = 45.5:
      O   HA    LEU   31 - HN    GLN   32   3.59 +/- 0.03  99.995% * 99.9819% (0.97  10.0   5.93  45.51) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  18.75 +/- 0.64   0.005% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 4.18, residual support = 44.2:
          QG    GLN   32 - HN    GLN   32   3.26 +/- 0.67  99.934% * 98.8442% (0.99   4.18  44.20) = 100.000%  kept
          QG    GLU-  79 - HN    GLN   32  15.25 +/- 0.72   0.016% *  0.3823% (0.80   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN   32  13.41 +/- 1.13   0.041% *  0.1063% (0.22   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLN   32  17.90 +/- 0.58   0.006% *  0.1328% (0.28   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLN   32  21.56 +/- 0.66   0.002% *  0.3280% (0.69   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLN   32  28.32 +/- 2.34   0.000% *  0.1328% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLN   32  30.03 +/- 1.21   0.000% *  0.0737% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.18, residual support = 44.2:
      O   QB    GLN   32 - HN    GLN   32   2.19 +/- 0.12  99.992% * 99.6924% (0.90  10.0   4.18  44.20) = 100.000%  kept
          HB    VAL   24 - HN    GLN   32  11.99 +/- 0.37   0.004% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   32  12.87 +/- 1.26   0.003% *  0.1090% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLN   32  20.35 +/- 1.07   0.000% *  0.0764% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  17.71 +/- 0.91   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 0.709, support = 3.02, residual support = 5.08:
          HB3   GLN   30 - HN    GLN   32   5.17 +/- 0.29  36.003% * 74.1503% (0.99   2.52   1.61) =  64.466%  kept
          QB    LYS+  33 - HN    GLN   32   4.67 +/- 0.32  63.757% * 23.0778% (0.20   3.93  11.38) =  35.531%  kept
          HB3   LYS+  38 - HN    GLN   32  12.45 +/- 0.20   0.178% *  0.5322% (0.90   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    GLN   32  16.94 +/- 0.57   0.028% *  0.2024% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   32  18.52 +/- 0.70   0.017% *  0.1832% (0.31   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   32  25.85 +/- 1.01   0.002% *  0.5882% (0.99   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    GLN   32  22.48 +/- 2.76   0.008% *  0.1321% (0.22   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   32  26.52 +/- 1.24   0.002% *  0.4535% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   32  28.60 +/- 0.95   0.001% *  0.5322% (0.90   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   32  23.77 +/- 1.42   0.004% *  0.1480% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.93, residual support = 45.5:
          HB2   LEU   31 - HN    GLN   32   2.78 +/- 0.19  99.938% * 97.3731% (0.98   5.93  45.51) = 100.000%  kept
          HG2   LYS+  38 - HN    GLN   32  11.30 +/- 0.69   0.025% *  0.2032% (0.61   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    GLN   32  12.07 +/- 1.16   0.018% *  0.2167% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLN   32  14.72 +/- 0.85   0.005% *  0.3343% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLN   32  14.47 +/- 0.87   0.006% *  0.2433% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLN   32  17.07 +/- 0.83   0.002% *  0.3005% (0.90   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    GLN   32  15.68 +/- 0.49   0.003% *  0.1763% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLN   32  20.65 +/- 0.74   0.001% *  0.3233% (0.97   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLN   32  18.00 +/- 0.67   0.001% *  0.0932% (0.28   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    GLN   32  24.11 +/- 1.79   0.000% *  0.2561% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    GLN   32  23.42 +/- 0.81   0.000% *  0.1631% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLN   32  29.30 +/- 2.19   0.000% *  0.3169% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 5.93, residual support = 45.5:
          HB3   LEU   31 - HN    GLN   32   3.89 +/- 0.18  99.545% * 98.9138% (0.98   5.93  45.51) =  99.999%  kept
          QG1   VAL   24 - HN    GLN   32  10.19 +/- 0.57   0.354% *  0.1927% (0.57   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    GLN   32  12.66 +/- 0.30   0.090% *  0.1791% (0.53   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    GLN   32  24.21 +/- 2.55   0.002% *  0.3285% (0.97   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLN   32  19.35 +/- 0.73   0.007% *  0.0849% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    GLN   32  24.57 +/- 1.65   0.002% *  0.0674% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    GLN   32  32.43 +/- 1.93   0.000% *  0.2338% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.29, residual support = 11.4:
          QG    GLN   32 - HN    LYS+  33   4.22 +/- 0.26  99.950% * 98.6229% (0.84   4.29  11.38) = 100.000%  kept
          QG    GLU-  79 - HN    LYS+  33  16.46 +/- 0.67   0.030% *  0.2896% (0.53   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    LYS+  33  18.96 +/- 0.49   0.013% *  0.2896% (0.53   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    LYS+  33  21.83 +/- 0.57   0.006% *  0.5082% (0.92   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    LYS+  33  28.32 +/- 2.40   0.001% *  0.2896% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 11.4:
          QB    GLN   32 - HN    LYS+  33   2.89 +/- 0.07  99.955% * 98.5009% (1.00   4.29  11.38) = 100.000%  kept
          HG3   GLU- 100 - HN    LYS+  33  12.03 +/- 1.23   0.024% *  0.3676% (0.80   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    LYS+  33  13.93 +/- 0.40   0.008% *  0.4551% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  33  13.76 +/- 1.33   0.010% *  0.0708% (0.15   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    LYS+  33  18.44 +/- 1.29   0.002% *  0.4238% (0.92   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  33  28.39 +/- 0.89   0.000% *  0.0909% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  28.91 +/- 1.31   0.000% *  0.0909% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 5.74, residual support = 149.9:
      O   QB    LYS+  33 - HN    LYS+  33   2.27 +/- 0.30  99.083% * 99.1015% (0.97  10.0   5.74 149.87) = 100.000%  kept
          HB3   GLN   30 - HN    LYS+  33   5.37 +/- 0.32   0.904% *  0.0385% (0.38   1.0   0.02   0.17) =   0.000%
          HB3   LYS+  38 - HN    LYS+  33  10.93 +/- 0.13   0.011% *  0.0581% (0.57   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  33  17.32 +/- 0.95   0.001% *  0.0858% (0.84   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  17.63 +/- 0.52   0.001% *  0.1025% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  19.75 +/- 0.74   0.000% *  0.0921% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  33  19.28 +/- 0.99   0.000% *  0.0822% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  20.23 +/- 0.76   0.000% *  0.1027% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  25.38 +/- 1.33   0.000% *  0.1018% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  26.66 +/- 1.17   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  30.40 +/- 1.82   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  26.87 +/- 0.92   0.000% *  0.0256% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  27.26 +/- 1.93   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  28.01 +/- 0.92   0.000% *  0.0139% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  30.09 +/- 0.77   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 4.32, residual support = 149.9:
          HG2   LYS+  33 - HN    LYS+  33   3.52 +/- 0.41  99.993% * 98.5778% (0.61   4.32 149.87) = 100.000%  kept
          QG    LYS+  81 - HN    LYS+  33  19.78 +/- 0.74   0.004% *  0.6953% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  33  20.61 +/- 1.19   0.003% *  0.7269% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.37, support = 5.31, residual support = 143.4:
          HG3   LYS+  33 - HN    LYS+  33   3.30 +/- 1.11  83.499% * 75.8915% (0.38   5.46 149.87) =  95.686%  kept
          HB2   LEU   31 - HN    LYS+  33   4.96 +/- 0.13  16.102% * 17.7344% (0.25   1.92   0.56) =   4.312%  kept
          HB3   LEU   73 - HN    LYS+  33  10.76 +/- 0.69   0.169% *  0.3895% (0.53   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LYS+  33  12.59 +/- 1.15   0.075% *  0.6422% (0.87   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  33  12.04 +/- 0.87   0.092% *  0.3319% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  33  16.50 +/- 2.22   0.016% *  0.4192% (0.57   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  33  17.15 +/- 0.49   0.009% *  0.7004% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LYS+  33  17.23 +/- 0.83   0.010% *  0.4491% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  33  16.38 +/- 0.85   0.013% *  0.2779% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  33  19.93 +/- 0.84   0.004% *  0.5658% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  33  20.01 +/- 0.79   0.004% *  0.3604% (0.49   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  33  22.99 +/- 1.89   0.002% *  0.5658% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+  33  23.91 +/- 0.76   0.001% *  0.7145% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  33  22.21 +/- 1.81   0.003% *  0.3319% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  33  32.28 +/- 1.25   0.000% *  0.4790% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  33  29.92 +/- 2.18   0.000% *  0.1465% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (0.08, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 0.555, residual support = 0.555:
          QD2   LEU   31 - HN    LYS+  33   4.87 +/- 0.10  99.504% * 90.2647% (0.65   0.56   0.56) =  99.973%  kept
          QG2   VAL   83 - HN    LYS+  33  12.37 +/- 0.79   0.404% *  4.9812% (0.99   0.02   0.02) =   0.022%
          QD1   ILE   89 - HN    LYS+  33  15.66 +/- 0.47   0.092% *  4.7541% (0.95   0.02   0.02) =   0.005%
    Distance limit 4.52 A violated in 0 structures by 0.36 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 1114 (4.00, 8.36, 120.50 ppm):
    11 chemical-shift based assignments, quality = 0.74, support = 2.0, residual support = 3.24:
          HA    LYS+  33 - HN    ASN   35   3.79 +/- 0.09  40.354% * 65.3968% (0.98   1.84   1.35) =  60.266%  kept
          HA    GLN   32 - HN    ASN   35   3.57 +/- 0.10  57.377% * 30.3158% (0.38   2.23   6.11) =  39.722%  kept
          HA    GLU-  29 - HN    ASN   35   8.08 +/- 0.25   0.438% *  0.7229% (1.00   0.02   0.02) =   0.007%
          HB2   SER   37 - HN    ASN   35   6.43 +/- 0.36   1.778% *  0.1118% (0.15   0.02   0.02) =   0.005%
          HA    VAL   70 - HN    ASN   35  11.99 +/- 0.93   0.045% *  0.5537% (0.76   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    ASN   35  16.37 +/- 0.60   0.006% *  0.7181% (0.99   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ASN   35  21.90 +/- 1.49   0.001% *  0.6992% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ASN   35  23.47 +/- 0.87   0.001% *  0.2979% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ASN   35  27.01 +/- 1.63   0.000% *  0.5537% (0.76   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASN   35  27.81 +/- 0.74   0.000% *  0.4687% (0.65   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASN   35  30.18 +/- 0.73   0.000% *  0.1613% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1115 (4.10, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 51.6:
          HA    GLU-  36 - HN    ASN   35   4.91 +/- 0.02  97.263% * 98.5306% (0.97   3.97  51.61) =  99.997%  kept
          HA    ASN   28 - HN    ASN   35   8.97 +/- 0.36   2.715% *  0.1017% (0.20   0.02   0.02) =   0.003%
          HA    LYS+  81 - HN    ASN   35  23.13 +/- 0.69   0.009% *  0.5129% (1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   35  25.52 +/- 2.30   0.006% *  0.4116% (0.80   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   35  30.49 +/- 1.63   0.002% *  0.3531% (0.69   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   35  25.22 +/- 1.42   0.006% *  0.0900% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 14 structures by 0.91 A, kept.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.312, support = 5.82, residual support = 55.1:
      O   HB2   ASN   35 - HN    ASN   35   2.54 +/- 0.51  98.646% * 70.6268% (0.31  10.0   5.84  55.35) =  99.466%  kept
          QE    LYS+  33 - HN    ASN   35   6.33 +/- 0.73   1.310% * 28.5516% (1.00   1.0   2.50   1.35) =   0.534%  kept
          HB2   ASN   28 - HN    ASN   35  10.63 +/- 0.36   0.036% *  0.2208% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   35  17.50 +/- 1.00   0.002% *  0.1480% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASN   35  14.25 +/- 1.16   0.006% *  0.0401% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   35  21.99 +/- 1.77   0.001% *  0.1985% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ASN   35  21.58 +/- 0.85   0.000% *  0.0571% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   35  25.73 +/- 0.66   0.000% *  0.1572% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1117 (1.28, 8.36, 120.50 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 3.32, residual support = 18.8:
          QB    ALA   34 - HN    ASN   35   2.90 +/- 0.05  98.539% * 98.0020% (0.92   3.32  18.77) =  99.996%  kept
          QG2   THR   39 - HN    ASN   35   6.94 +/- 0.91   0.986% *  0.1973% (0.31   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    ASN   35   7.20 +/- 0.62   0.466% *  0.3619% (0.57   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    ASN   35  14.85 +/- 0.84   0.006% *  0.6265% (0.98   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ASN   35  21.77 +/- 1.86   0.001% *  0.4885% (0.76   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ASN   35  18.99 +/- 0.61   0.001% *  0.1265% (0.20   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ASN   35  23.09 +/- 0.76   0.000% *  0.1973% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 3.74, residual support = 94.7:
      O   HB2   ASN   28 - HD21  ASN   28   3.91 +/- 0.35  97.971% * 99.6076% (0.97  10.0   3.74  94.66) =  99.998%  kept
          HB2   ASP-  86 - HD21  ASN   28   8.16 +/- 0.97   1.741% *  0.0953% (0.92   1.0   0.02   0.02) =   0.002%
          QE    LYS+  33 - HD21  ASN   28  11.94 +/- 1.43   0.159% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD21  ASN   28  12.67 +/- 1.23   0.094% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   28  15.50 +/- 0.97   0.031% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   28  22.50 +/- 2.21   0.003% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.42 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.45, residual support = 94.7:
      O   HB3   ASN   28 - HD21  ASN   28   3.85 +/- 0.19  98.827% * 99.7665% (0.90  10.0   3.45  94.66) =  99.999%  kept
          HG2   GLN   30 - HD21  ASN   28   8.13 +/- 0.57   1.167% *  0.1110% (1.00   1.0   0.02   8.66) =   0.001%
          QE    LYS+ 121 - HD21  ASN   28  21.16 +/- 1.69   0.004% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD21  ASN   28  23.61 +/- 1.79   0.002% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.95, residual support = 11.9:
          QG2   VAL   24 - HD21  ASN   28   2.06 +/- 0.55  99.997% * 97.0459% (0.76   1.95  11.91) = 100.000%  kept
          QG2   VAL  108 - HD21  ASN   28  15.11 +/- 1.25   0.002% *  0.3251% (0.25   0.02   0.02) =   0.000%
          HG    LEU   63 - HD21  ASN   28  20.90 +/- 1.17   0.000% *  1.1694% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD21  ASN   28  18.78 +/- 1.15   0.001% *  0.2012% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD21  ASN   28  29.12 +/- 1.77   0.000% *  1.2584% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 5.02, residual support = 46.8:
      O   HA    TRP   27 - HN    ASN   28   3.60 +/- 0.03  99.994% * 99.7755% (1.00  10.0   5.02  46.84) = 100.000%  kept
          HA    ALA   91 - HN    ASN   28  20.95 +/- 0.65   0.003% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ASN   28  21.45 +/- 0.68   0.002% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASN   28  26.03 +/- 0.72   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 5.56, residual support = 11.9:
          HA    VAL   24 - HN    ASN   28   3.91 +/- 0.21  99.962% * 99.4458% (0.92   5.56  11.91) = 100.000%  kept
          HA    LYS+  38 - HN    ASN   28  15.41 +/- 0.36   0.029% *  0.1595% (0.41   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ASN   28  19.97 +/- 1.01   0.006% *  0.1595% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASN   28  21.89 +/- 1.14   0.004% *  0.2352% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 5.3, residual support = 46.8:
          HB2   TRP   27 - HN    ASN   28   3.10 +/- 0.29  99.978% * 99.2344% (0.80   5.30  46.84) = 100.000%  kept
          HA    THR   77 - HN    ASN   28  13.09 +/- 0.74   0.021% *  0.3909% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ASN   28  21.82 +/- 0.82   0.001% *  0.3747% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1125 (2.93, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.32, residual support = 94.7:
      O   HB2   ASN   28 - HN    ASN   28   2.60 +/- 0.11  99.907% * 99.6076% (0.97  10.0   6.32  94.66) = 100.000%  kept
          QE    LYS+  33 - HN    ASN   28   9.82 +/- 1.41   0.056% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   28  10.70 +/- 0.53   0.022% *  0.0953% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASN   28  11.84 +/- 0.90   0.013% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   28  15.95 +/- 0.82   0.002% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   28  21.50 +/- 2.24   0.000% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 6.05, residual support = 94.7:
      O   HB3   ASN   28 - HN    ASN   28   3.55 +/- 0.01  93.998% * 99.7665% (0.90  10.0   6.05  94.66) =  99.993%  kept
          HG2   GLN   30 - HN    ASN   28   5.70 +/- 0.39   5.998% *  0.1110% (1.00   1.0   0.02   8.66) =   0.007%
          QE    LYS+ 121 - HN    ASN   28  21.66 +/- 1.87   0.002% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    ASN   28  23.46 +/- 1.62   0.001% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.475, support = 2.34, residual support = 21.5:
          HG3   GLU-  29 - HN    ASN   28   5.46 +/- 0.44  51.959% * 55.8515% (0.20   3.52  33.82) =  60.304%  kept
          HB2   GLU-  25 - HN    ASN   28   5.53 +/- 0.18  47.472% * 40.2309% (0.90   0.56   2.74) =  39.687%  kept
          HB2   MET   96 - HN    ASN   28  12.30 +/- 0.76   0.399% *  0.4951% (0.31   0.02   0.02) =   0.004%
          QG    GLN   17 - HN    ASN   28  16.25 +/- 1.39   0.082% *  1.2846% (0.80   0.02   0.02) =   0.002%
          HB    VAL   70 - HN    ASN   28  17.46 +/- 0.53   0.047% *  1.1649% (0.73   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    ASN   28  17.79 +/- 0.37   0.042% *  0.9730% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.53 A violated in 0 structures by 0.33 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.466, support = 2.69, residual support = 11.9:
          QG2   VAL   24 - HN    ASN   28   3.66 +/- 0.14  85.901% * 55.9264% (0.45   2.82  11.91) =  88.903%  kept
          QG1   VAL   24 - HN    ASN   28   5.08 +/- 0.42  14.090% * 42.5554% (0.61   1.59  11.91) =  11.096%  kept
          QG1   VAL  107 - HN    ASN   28  18.32 +/- 0.75   0.006% *  0.8155% (0.92   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    ASN   28  20.74 +/- 1.27   0.003% *  0.2727% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ASN   28  30.31 +/- 1.96   0.000% *  0.4300% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 0.549, support = 2.31, residual support = 1.11:
          QD2   LEU   80 - HN    ASN   28   5.52 +/- 0.44  38.391% * 50.3474% (0.45   2.92   1.71) =  58.145%  kept
          QG1   VAL   83 - HN    ASN   28   5.99 +/- 0.68  26.163% * 33.6643% (1.00   0.88   0.23) =  26.495%  kept
          QD1   LEU   73 - HN    ASN   28   5.72 +/- 0.47  34.988% * 14.5888% (0.15   2.46   0.38) =  15.355%  kept
          QG2   ILE   89 - HN    ASN   28  12.30 +/- 0.66   0.317% *  0.4357% (0.57   0.02   0.02) =   0.004%
          QD1   LEU  104 - HN    ASN   28  16.06 +/- 1.23   0.069% *  0.5286% (0.69   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ASN   28  16.27 +/- 0.88   0.059% *  0.1187% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ASN   28  21.56 +/- 1.82   0.012% *  0.3164% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1130 (3.77, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.02, residual support = 26.0:
          HA    VAL   24 - HN    TRP   27   3.07 +/- 0.10  99.984% * 99.0201% (0.99   3.02  25.95) = 100.000%  kept
          HA    LYS+  38 - HN    TRP   27  16.80 +/- 0.44   0.004% *  0.4802% (0.73   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    ALA   91  15.70 +/- 0.87   0.006% *  0.0810% (0.12   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    TRP   27  18.24 +/- 1.00   0.002% *  0.1158% (0.18   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    TRP   27  21.26 +/- 1.11   0.001% *  0.2041% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  18.48 +/- 0.78   0.002% *  0.0143% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  27.24 +/- 0.63   0.000% *  0.0593% (0.09   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  25.06 +/- 1.33   0.000% *  0.0252% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 5.41, residual support = 101.3:
      O   HB2   TRP   27 - HN    TRP   27   2.09 +/- 0.10  99.733% * 99.8160% (0.99  10.0   5.41 101.26) = 100.000%  kept
          HD2   PRO   93 - HN    ALA   91   6.55 +/- 1.20   0.230% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91   8.53 +/- 1.06   0.032% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    TRP   27  11.60 +/- 0.65   0.004% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  20.69 +/- 0.78   0.000% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  16.36 +/- 0.81   0.000% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.99, 7.73, 123.24 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 5.64, residual support = 101.3:
      O   HB3   TRP   27 - HN    TRP   27   3.04 +/- 0.21  99.849% * 99.6559% (0.99  10.0   5.64 101.26) = 100.000%  kept
          QE    LYS+ 106 - HN    ALA   91  11.05 +/- 2.21   0.109% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    TRP   27  17.81 +/- 0.60   0.003% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    TRP   27  17.84 +/- 1.58   0.003% *  0.0610% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    TRP   27  17.78 +/- 0.55   0.003% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    TRP   27  17.51 +/- 0.89   0.003% *  0.0413% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  14.13 +/- 1.11   0.013% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  16.17 +/- 0.94   0.005% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  15.98 +/- 0.81   0.005% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  18.71 +/- 0.55   0.002% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  18.40 +/- 1.34   0.002% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  21.97 +/- 0.87   0.001% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  19.44 +/- 1.99   0.002% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  27.66 +/- 1.08   0.000% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1133 (2.60, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 0.747, residual support = 1.49:
          HB3   CYS   21 - HN    TRP   27   3.18 +/- 0.64  99.921% * 96.3393% (0.53   0.75   1.49) =  99.999%  kept
          HG2   MET   96 - HN    TRP   27  14.40 +/- 1.05   0.022% *  2.9744% (0.61   0.02   0.02) =   0.001%
          HG2   MET   96 - HN    ALA   91  12.68 +/- 0.95   0.050% *  0.3675% (0.07   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ALA   91  16.92 +/- 0.72   0.007% *  0.3188% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 4.47, residual support = 22.4:
          QG2   THR   26 - HN    TRP   27   3.32 +/- 0.25  99.714% * 97.6001% (0.98   4.47  22.35) =  99.999%  kept
          HB2   LYS+  74 - HN    TRP   27  10.21 +/- 0.38   0.131% *  0.3567% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    TRP   27  13.03 +/- 0.44   0.030% *  0.0780% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    TRP   27  21.01 +/- 1.93   0.002% *  0.4444% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    TRP   27  16.53 +/- 0.64   0.007% *  0.0882% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  12.58 +/- 1.69   0.056% *  0.0109% (0.02   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA   91  15.48 +/- 1.08   0.013% *  0.0441% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    TRP   27  22.47 +/- 0.73   0.001% *  0.3404% (0.76   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    TRP   27  24.07 +/- 1.78   0.001% *  0.4444% (1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    TRP   27  19.53 +/- 0.96   0.003% *  0.1238% (0.28   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  17.53 +/- 0.78   0.005% *  0.0539% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  14.11 +/- 1.15   0.023% *  0.0096% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  19.58 +/- 2.25   0.004% *  0.0549% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    TRP   27  24.94 +/- 1.50   0.001% *  0.1238% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA   91  22.84 +/- 1.19   0.001% *  0.0549% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  22.41 +/- 1.73   0.001% *  0.0421% (0.09   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  25.51 +/- 1.56   0.001% *  0.0882% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  20.56 +/- 2.00   0.002% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  20.38 +/- 1.20   0.002% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  22.76 +/- 0.73   0.001% *  0.0109% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.838, support = 2.81, residual support = 10.7:
          QD2   LEU   80 - HN    TRP   27   4.17 +/- 0.49  66.493% * 41.5893% (0.76   2.82   8.95) =  66.672%  kept
          QD1   LEU   73 - HN    TRP   27   5.15 +/- 0.54  25.071% * 54.4144% (1.00   2.83  14.34) =  32.891%  kept
          QG1   VAL   83 - HN    TRP   27   6.14 +/- 0.69   7.004% *  2.5754% (0.15   0.87   2.34) =   0.435%
          QG2   VAL   41 - HN    TRP   27   9.26 +/- 1.16   0.706% *  0.0522% (0.14   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    TRP   27  15.47 +/- 0.92   0.026% *  0.3850% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   91  11.18 +/- 0.93   0.219% *  0.0364% (0.09   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    TRP   27  16.07 +/- 0.94   0.021% *  0.2341% (0.61   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   91  13.13 +/- 1.66   0.093% *  0.0476% (0.12   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  16.67 +/- 1.27   0.018% *  0.2030% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   91  13.70 +/- 1.41   0.071% *  0.0382% (0.10   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ALA   91  14.40 +/- 0.74   0.040% *  0.0476% (0.12   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    TRP   27  20.70 +/- 1.76   0.005% *  0.3090% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   91  11.43 +/- 0.70   0.156% *  0.0074% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   91  15.10 +/- 1.61   0.038% *  0.0289% (0.07   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  17.85 +/- 1.28   0.012% *  0.0251% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  15.58 +/- 0.81   0.025% *  0.0065% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1137 (0.14, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 0.825, residual support = 2.45:
          QG2   VAL   75 - HN    TRP   27   5.42 +/- 0.57  95.645% * 96.9268% (0.95   0.83   2.45) =  99.968%  kept
          QG2   VAL   42 - HN    TRP   27  12.35 +/- 0.40   0.778% *  2.4770% (1.00   0.02   0.02) =   0.021%
          QG2   VAL   75 - HN    ALA   91  10.20 +/- 0.82   3.285% *  0.2902% (0.12   0.02   0.02) =   0.010%
          QG2   VAL   42 - HN    ALA   91  14.64 +/- 0.54   0.292% *  0.3061% (0.12   0.02   0.02) =   0.001%
    Distance limit 4.39 A violated in 13 structures by 1.03 A, kept.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.74, support = 1.23, residual support = 7.46:
          QD2   LEU   80 - HE1   TRP   27   5.16 +/- 0.92  17.265% * 50.2314% (0.99   1.55   8.95) =  40.877%  kept
          QG1   VAL   83 - HE1   TRP   27   3.95 +/- 1.62  70.771% * 11.6951% (0.41   0.87   2.34) =  39.011%  kept
          QD1   LEU   73 - HE1   TRP   27   6.09 +/- 0.86  11.816% * 36.1074% (0.87   1.27  14.34) =  20.109%  kept
          QD1   LEU  104 - HE1   TRP   27  13.93 +/- 1.51   0.072% *  0.5664% (0.87   0.02   0.02) =   0.002%
          QD1   LEU   63 - HE1   TRP   27  14.29 +/- 1.29   0.039% *  0.5664% (0.87   0.02   0.02) =   0.001%
          QD2   LEU  115 - HE1   TRP   27  18.98 +/- 2.05   0.009% *  0.6516% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HE1   TRP   27  14.98 +/- 1.15   0.027% *  0.1816% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.714, support = 1.07, residual support = 9.37:
          QG2   VAL   43 - HE1   TRP   27   4.58 +/- 0.83  56.346% * 53.1605% (0.99   0.61   6.14) =  59.431%  kept
          QD2   LEU   31 - HE1   TRP   27   4.95 +/- 1.12  43.654% * 46.8395% (0.31   1.74  14.11) =  40.569%  kept
    Distance limit 3.80 A violated in 6 structures by 0.45 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.59, residual support = 29.3:
          HB2   GLU-  25 - HN    THR   26   2.63 +/- 0.11  98.543% * 98.9585% (0.90   5.59  29.34) =  99.999%  kept
          HG3   GLU-  29 - HN    THR   26   5.54 +/- 0.60   1.450% *  0.0781% (0.20   0.02   1.41) =   0.001%
          QG    GLN   17 - HN    THR   26  15.66 +/- 1.22   0.003% *  0.3159% (0.80   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    THR   26  14.93 +/- 0.72   0.003% *  0.1218% (0.31   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    THR   26  19.14 +/- 0.79   0.001% *  0.2865% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    THR   26  20.69 +/- 0.42   0.000% *  0.2393% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 5.26, residual support = 29.3:
          HB3   GLU-  25 - HN    THR   26   3.26 +/- 0.13  97.766% * 95.4977% (0.57   5.26  29.34) =  99.989%  kept
          HG3   GLN   30 - HN    THR   26   6.88 +/- 0.58   1.296% *  0.5361% (0.84   0.02   4.77) =   0.007%
          HB2   GLN   30 - HN    THR   26   7.67 +/- 0.94   0.831% *  0.3377% (0.53   0.02   4.77) =   0.003%
          HB    ILE   19 - HN    THR   26  10.59 +/- 0.40   0.090% *  0.1270% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR   26  16.68 +/- 0.91   0.006% *  0.4905% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR   26  16.78 +/- 0.34   0.005% *  0.4905% (0.76   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   26  20.77 +/- 0.91   0.002% *  0.3893% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    THR   26  23.80 +/- 1.56   0.001% *  0.6404% (1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    THR   26  21.78 +/- 1.25   0.001% *  0.1981% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    THR   26  28.62 +/- 1.01   0.000% *  0.5361% (0.84   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   26  27.06 +/- 1.42   0.000% *  0.3377% (0.53   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    THR   26  24.54 +/- 1.35   0.001% *  0.1600% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR   26  24.44 +/- 0.86   0.001% *  0.0990% (0.15   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   26  26.75 +/- 1.63   0.000% *  0.1600% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 35.6:
          QG2   THR   26 - HN    THR   26   3.60 +/- 0.05  99.893% * 98.0837% (0.95   4.46  35.63) = 100.000%  kept
          HB2   LYS+  74 - HN    THR   26  11.53 +/- 0.45   0.097% *  0.4611% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    THR   26  18.72 +/- 0.65   0.005% *  0.2086% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    THR   26  22.62 +/- 2.05   0.002% *  0.4173% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   26  26.47 +/- 1.84   0.001% *  0.3886% (0.84   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   26  24.23 +/- 0.83   0.001% *  0.2086% (0.45   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   26  25.62 +/- 0.79   0.001% *  0.1160% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   26  27.11 +/- 1.65   0.001% *  0.1160% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.579, support = 0.0198, residual support = 0.0198:
          HB3   LEU   80 - HN    THR   26   8.59 +/- 0.68  59.644% *  8.4695% (0.53   0.02   0.02) =  55.143%  kept
          HB2   LEU   31 - HN    THR   26   9.80 +/- 0.23  27.630% * 11.0578% (0.69   0.02   0.02) =  33.352%  kept
          QG2   THR   77 - HN    THR   26  12.00 +/- 0.76   8.344% *  7.8357% (0.49   0.02   0.02) =   7.137%  kept
          QB    ALA   88 - HN    THR   26  16.57 +/- 0.43   1.176% * 13.9639% (0.87   0.02   0.02) =   1.793%  kept
          HB3   ASP-  44 - HN    THR   26  15.13 +/- 0.95   2.148% *  4.9686% (0.31   0.02   0.02) =   1.165%  kept
          HG2   LYS+  38 - HN    THR   26  20.22 +/- 0.50   0.364% * 16.0623% (1.00   0.02   0.02) =   0.639%  kept
          HG2   LYS+  99 - HN    THR   26  21.41 +/- 0.97   0.269% * 15.5357% (0.97   0.02   0.02) =   0.457%
          HB2   LEU   63 - HN    THR   26  20.78 +/- 1.04   0.314% *  6.6181% (0.41   0.02   0.02) =   0.227%
          HG2   LYS+ 111 - HN    THR   26  28.46 +/- 1.39   0.049% * 12.3026% (0.76   0.02   0.02) =   0.066%
          QB    ALA  124 - HN    THR   26  27.36 +/- 1.49   0.060% *  3.1858% (0.20   0.02   0.02) =   0.021%
    Distance limit 4.45 A violated in 20 structures by 3.41 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.66, residual support = 34.4:
      O   HA    VAL   24 - HN    GLU-  25   3.58 +/- 0.01  99.994% * 99.8455% (0.92  10.0   5.66  34.41) = 100.000%  kept
          HA    LYS+  38 - HN    GLU-  25  20.13 +/- 0.34   0.003% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    GLU-  25  21.32 +/- 1.06   0.002% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    GLU-  25  25.14 +/- 1.16   0.001% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 6.07, residual support = 127.6:
      O   HB2   GLU-  25 - HN    GLU-  25   2.83 +/- 0.41  99.282% * 99.5608% (0.61  10.0   6.07 127.62) = 100.000%  kept
          HG3   GLU-  29 - HN    GLU-  25   7.22 +/- 0.71   0.476% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  25   8.54 +/- 0.66   0.237% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    GLU-  25  17.76 +/- 1.20   0.002% *  0.0799% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  17.87 +/- 1.75   0.002% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  25  22.47 +/- 0.36   0.001% *  0.1472% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  20.91 +/- 0.63   0.001% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1147 (2.02, 8.78, 120.28 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.86, residual support = 127.6:
      O   HB3   GLU-  25 - HN    GLU-  25   2.63 +/- 0.73  99.714% * 98.7761% (0.57  10.0   5.86 127.62) = 100.000%  kept
          HG3   GLN   30 - HN    GLU-  25   9.45 +/- 0.54   0.122% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLU-  25   9.72 +/- 0.96   0.138% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU-  25  12.85 +/- 0.38   0.019% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU-  25  18.98 +/- 0.31   0.002% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU-  25  18.95 +/- 0.91   0.002% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLU-  25  21.89 +/- 0.82   0.001% *  0.1058% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU-  25  25.88 +/- 1.43   0.000% *  0.1741% (1.00   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  21.12 +/- 1.46   0.001% *  0.0538% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLU-  25  28.35 +/- 1.28   0.000% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLU-  25  27.87 +/- 1.47   0.000% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  24.43 +/- 1.48   0.000% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  26.74 +/- 1.61   0.000% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  26.40 +/- 0.89   0.000% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1148 (1.29, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.24, residual support = 6.32:
          QG2   THR   23 - HN    GLU-  25   2.75 +/- 1.21  99.771% * 98.6027% (0.73   3.24   6.32) =  99.999%  kept
          QG2   THR   77 - HN    GLU-  25  11.16 +/- 0.88   0.143% *  0.6093% (0.73   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    GLU-  25  12.49 +/- 0.30   0.061% *  0.3149% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU-  25  15.17 +/- 0.56   0.019% *  0.2862% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU-  25  19.07 +/- 1.84   0.006% *  0.1868% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 4.54, residual support = 34.4:
          QG2   VAL   24 - HN    GLU-  25   3.18 +/- 0.39  99.997% * 99.2332% (0.97   4.54  34.41) = 100.000%  kept
          HG    LEU   63 - HN    GLU-  25  23.00 +/- 1.26   0.001% *  0.3933% (0.87   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLU-  25  19.92 +/- 0.88   0.002% *  0.1702% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    GLU-  25  30.74 +/- 1.77   0.000% *  0.2033% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.27, residual support = 127.6:
          HG2   GLU-  25 - HN    GLU-  25   3.59 +/- 0.48  99.958% * 99.4313% (0.97   5.27 127.62) = 100.000%  kept
          HB3   TRP   87 - HN    GLU-  25  14.35 +/- 1.03   0.035% *  0.1206% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   95 - HN    GLU-  25  19.13 +/- 1.07   0.006% *  0.1901% (0.49   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    GLU-  25  30.32 +/- 1.52   0.000% *  0.1606% (0.41   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  25  31.53 +/- 1.74   0.000% *  0.0974% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 65.2:
      O   HA    VAL   24 - HN    VAL   24   2.78 +/- 0.04  99.998% * 99.8455% (0.92  10.0   4.34  65.15) = 100.000%  kept
          HA    ALA   61 - HN    VAL   24  19.75 +/- 1.12   0.001% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  20.87 +/- 0.46   0.001% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   24  24.44 +/- 1.26   0.000% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 65.2:
      O   HB    VAL   24 - HN    VAL   24   2.41 +/- 0.32  98.569% * 99.7135% (0.95  10.0   4.68  65.15) = 100.000%  kept
          HB3   GLU-  79 - HN    VAL   24   6.10 +/- 1.03   1.423% *  0.0163% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    VAL   24  12.29 +/- 0.43   0.008% *  0.0945% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    VAL   24  22.32 +/- 1.15   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    VAL   24  25.30 +/- 1.09   0.000% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1153 (1.29, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.43, residual support = 25.8:
          QG2   THR   23 - HN    VAL   24   3.08 +/- 0.82  99.308% * 99.1629% (0.73   5.43  25.85) =  99.998%  kept
          QG2   THR   77 - HN    VAL   24   8.99 +/- 0.94   0.603% *  0.3650% (0.73   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    VAL   24  12.98 +/- 0.37   0.043% *  0.1887% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    VAL   24  13.63 +/- 0.62   0.035% *  0.1715% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    VAL   24  17.20 +/- 1.82   0.010% *  0.1119% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 0.867, support = 4.14, residual support = 65.2:
          QG1   VAL   24 - HN    VAL   24   2.31 +/- 0.53  86.384% * 77.1703% (0.90   4.09  65.15) =  95.720%  kept
          QG2   VAL   24 - HN    VAL   24   3.56 +/- 0.17  13.610% * 21.8983% (0.20   5.26  65.15) =   4.280%  kept
          HB3   LEU   31 - HN    VAL   24  12.79 +/- 0.28   0.005% *  0.0937% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    VAL   24  18.38 +/- 1.03   0.001% *  0.4173% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL   24  29.00 +/- 2.08   0.000% *  0.3371% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    VAL   24  23.96 +/- 1.92   0.000% *  0.0833% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 3.0, residual support = 9.4:
          QD2   LEU   80 - HN    VAL   24   2.45 +/- 0.54  94.316% * 96.4506% (0.76   3.00   9.40) =  99.991%  kept
          QG1   VAL   83 - HN    VAL   24   4.23 +/- 0.39   5.572% *  0.1298% (0.15   0.02   0.90) =   0.008%
          QD1   LEU   73 - HN    VAL   24   8.06 +/- 0.69   0.096% *  0.8395% (1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    VAL   24  16.71 +/- 1.00   0.002% *  0.8395% (1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    VAL   24  11.90 +/- 1.17   0.012% *  0.1139% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    VAL   24  17.76 +/- 0.89   0.001% *  0.5103% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   24  18.90 +/- 1.41   0.001% *  0.4427% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   24  21.21 +/- 1.78   0.000% *  0.6737% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 21.1:
          HB2   HIS   22 - HN    THR   23   4.50 +/- 0.03  99.978% * 99.6207% (0.99   5.14  21.13) = 100.000%  kept
          HA    LEU   63 - HN    THR   23  20.53 +/- 0.83   0.011% *  0.3264% (0.84   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    THR   23  21.87 +/- 2.77   0.011% *  0.0529% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1157 (3.23, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.74, residual support = 21.1:
          HB3   HIS   22 - HN    THR   23   4.45 +/- 0.03  99.965% * 99.7231% (0.76   5.74  21.13) = 100.000%  kept
          HB2   PHE   95 - HN    THR   23  17.40 +/- 0.64   0.029% *  0.0900% (0.20   0.02   0.02) =   0.000%
          HD3   ARG+  54 - HN    THR   23  22.68 +/- 2.06   0.007% *  0.1869% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.09, residual support = 4.69:
          HB3   CYS   21 - HN    THR   23   4.06 +/- 0.27 100.000% *100.0000% (1.00   2.09   4.69) = 100.000%  kept
    Distance limit 4.37 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 = 1.94, residual support = 13.2:
          QG2   THR   26 - HN    THR   23   4.53 +/- 0.06  96.340% * 94.5337% (0.73   1.94  13.20) =  99.949%  kept
          HB2   LYS+  74 - HN    THR   23   7.99 +/- 0.53   3.606% *  1.2670% (0.95   0.02   0.02) =   0.050%
          HB3   LEU   40 - HN    THR   23  19.04 +/- 0.80   0.018% *  0.9726% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    THR   23  19.94 +/- 2.05   0.016% *  0.8664% (0.65   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   23  24.36 +/- 1.57   0.004% *  0.6519% (0.49   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   23  24.11 +/- 0.58   0.004% *  0.6519% (0.49   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   23  25.29 +/- 1.77   0.003% *  0.7583% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   23  22.40 +/- 0.83   0.007% *  0.2982% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.75, residual support = 19.1:
          QG2   THR   23 - HN    THR   23   3.19 +/- 0.62  99.708% * 97.7000% (0.41   4.75  19.05) =  99.997%  kept
          QG2   THR   77 - HN    THR   23   9.43 +/- 0.72   0.244% *  0.9661% (0.97   0.02   0.02) =   0.002%
          QB    ALA   88 - HN    THR   23  15.88 +/- 0.49   0.010% *  0.6476% (0.65   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    THR   23  12.78 +/- 0.38   0.036% *  0.1545% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   23  22.56 +/- 0.48   0.001% *  0.3090% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   23  22.41 +/- 1.00   0.001% *  0.2229% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.33, support = 2.4, residual support = 10.5:
          QD1   LEU   80 - HN    THR   23   3.80 +/- 0.82  51.822% * 47.8555% (0.45   1.51  10.46) =  52.748%  kept
          QD2   LEU   80 - HN    THR   23   3.76 +/- 0.31  46.853% * 47.3933% (0.20   3.40  10.46) =  47.231%  kept
          QD1   LEU   73 - HN    THR   23   7.13 +/- 0.60   1.225% *  0.7422% (0.53   0.02   0.02) =   0.019%
          QG2   VAL   41 - HN    THR   23  12.10 +/- 1.32   0.050% *  0.9126% (0.65   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    THR   23  12.96 +/- 1.06   0.030% *  0.6325% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    THR   23  16.46 +/- 0.94   0.007% *  1.4076% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    THR   23  15.47 +/- 0.96   0.011% *  0.7422% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    THR   23  20.24 +/- 1.63   0.002% *  0.3141% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1162 (3.23, 9.10, 120.75 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.46, residual support = 34.4:
      O   HB3   HIS   22 - HN    HIS   22   3.31 +/- 0.38  99.999% * 99.9260% (0.98  10.0   3.46  34.41) = 100.000%  kept
          HD3   ARG+  54 - HN    HIS   22  24.37 +/- 2.16   0.001% *  0.0740% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 6.44, residual support = 158.2:
          HG3   ARG+  54 - HN    ARG+  54   3.74 +/- 0.48  73.215% * 94.9577% (0.26   6.46 158.67) =  99.727%  kept
          QB    ALA   57 - HN    ARG+  54   4.76 +/- 0.68  22.757% *  0.8080% (0.72   0.02   0.02) =   0.264%
          QB    ALA   57 - HN    ASP-  62   6.34 +/- 0.33   3.626% *  0.1512% (0.14   0.02   0.02) =   0.008%
          HD3   LYS+ 111 - HN    ARG+  54  14.35 +/- 1.21   0.033% *  0.8466% (0.76   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ARG+  54  12.89 +/- 1.37   0.057% *  0.4740% (0.42   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ASP-  62  10.68 +/- 1.00   0.185% *  0.0887% (0.08   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ASP-  62  12.92 +/- 1.47   0.075% *  0.1939% (0.17   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HN    ASP-  62  13.82 +/- 1.31   0.036% *  0.0550% (0.05   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ARG+  54  22.83 +/- 1.61   0.002% *  1.0363% (0.93   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ASP-  62  17.68 +/- 1.16   0.008% *  0.1584% (0.14   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ASP-  62  19.96 +/- 1.49   0.004% *  0.1939% (0.17   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ARG+  54  26.38 +/- 1.20   0.001% *  1.0363% (0.93   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 3.35, residual support = 27.9:
      O   HB2   CYS   21 - HN    CYS   21   3.08 +/- 0.54  99.850% * 99.8975% (0.90  10.0   3.35  27.95) = 100.000%  kept
          HB2   PHE   45 - HN    CYS   21  11.29 +/- 0.49   0.060% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  11.19 +/- 0.98   0.077% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  14.96 +/- 0.56   0.011% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    ILE  119  21.78 +/- 1.20   0.001% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  22.98 +/- 0.86   0.001% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.3, residual support = 27.9:
      O   HB3   CYS   21 - HN    CYS   21   2.85 +/- 0.59  99.971% * 99.8170% (0.53  10.0   3.30  27.95) = 100.000%  kept
          HG2   MET   96 - HN    CYS   21  14.61 +/- 0.72   0.010% *  0.1151% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   MET   96 - HN    ILE  119  13.55 +/- 1.30   0.018% *  0.0364% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ILE  119  21.64 +/- 0.85   0.001% *  0.0315% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 0.289, support = 0.0195, residual support = 0.0195:
          HG    LEU  123 - HN    ILE  119   6.80 +/- 0.59  42.146% *  3.5886% (0.32   0.02   0.02) =  57.790%  kept
          QB    LYS+  66 - HN    ILE  119   8.19 +/- 1.56  20.181% *  2.1815% (0.19   0.02   0.02) =  16.822%  kept
          HB3   ASP- 105 - HN    ILE  119   7.60 +/- 1.22  26.812% *  1.1101% (0.10   0.02   0.02) =  11.373%  kept
          HB    VAL   41 - HN    CYS   21  12.07 +/- 1.21   1.648% *  9.1141% (0.80   0.02   0.02) =   5.740%  kept
          QB    LYS+  33 - HN    CYS   21  10.75 +/- 0.43   2.647% *  2.5341% (0.22   0.02   0.02) =   2.563%  kept
          HG2   PRO   93 - HN    ILE  119  11.48 +/- 1.17   2.444% *  1.2268% (0.11   0.02   0.02) =   1.146%  kept
          HG3   PRO   68 - HN    ILE  119  14.10 +/- 2.87   1.363% *  1.4786% (0.13   0.02   0.02) =   0.770%  kept
          HG12  ILE  103 - HN    CYS   21  16.85 +/- 0.82   0.184% * 10.5070% (0.92   0.02   0.02) =   0.738%  kept
          QB    LYS+  66 - HN    CYS   21  16.86 +/- 0.72   0.190% *  6.9036% (0.61   0.02   0.02) =   0.501%  kept
          HG12  ILE  103 - HN    ILE  119  15.08 +/- 1.21   0.364% *  3.3201% (0.29   0.02   0.02) =   0.462%
          HB3   PRO   52 - HN    ILE  119  16.40 +/- 1.49   0.276% *  3.5886% (0.32   0.02   0.02) =   0.379%
          HB3   PRO   52 - HN    CYS   21  20.88 +/- 0.95   0.054% * 11.3569% (1.00   0.02   0.02) =   0.233%
          HB    VAL   41 - HN    ILE  119  17.01 +/- 1.53   0.190% *  2.8799% (0.25   0.02   0.02) =   0.209%
          HG2   PRO   93 - HN    CYS   21  18.02 +/- 0.62   0.123% *  3.8825% (0.34   0.02   0.02) =   0.182%
          HG3   PRO   68 - HN    CYS   21  19.16 +/- 1.06   0.089% *  4.6793% (0.41   0.02   0.02) =   0.159%
          HB    ILE  103 - HN    ILE  119  15.53 +/- 1.19   0.307% *  1.3499% (0.12   0.02   0.02) =   0.158%
          HB3   ASP- 105 - HN    CYS   21  19.06 +/- 1.02   0.098% *  3.5131% (0.31   0.02   0.02) =   0.131%
          HB    ILE  103 - HN    CYS   21  19.38 +/- 0.67   0.077% *  4.2718% (0.38   0.02   0.02) =   0.126%
          HG2   ARG+  54 - HN    CYS   21  19.76 +/- 1.85   0.079% *  3.8825% (0.34   0.02   0.02) =   0.117%
          HB3   GLN   90 - HN    CYS   21  18.15 +/- 1.77   0.135% *  1.9934% (0.18   0.02   0.02) =   0.103%
          HG    LEU  123 - HN    CYS   21  24.60 +/- 1.38   0.019% * 11.3569% (1.00   0.02   0.02) =   0.083%
          HG2   ARG+  54 - HN    ILE  119  17.92 +/- 1.16   0.144% *  1.2268% (0.11   0.02   0.02) =   0.067%
          QB    LYS+ 102 - HN    CYS   21  19.29 +/- 1.03   0.083% *  1.9934% (0.18   0.02   0.02) =   0.063%
          QB    LYS+ 102 - HN    ILE  119  16.07 +/- 1.18   0.250% *  0.6299% (0.06   0.02   0.02) =   0.060%
          HB3   GLN   90 - HN    ILE  119  20.63 +/- 1.48   0.063% *  0.6299% (0.06   0.02   0.02) =   0.015%
          QB    LYS+  33 - HN    ILE  119  22.17 +/- 1.10   0.034% *  0.8007% (0.07   0.02   0.02) =   0.011%
    Distance limit 3.52 A violated in 20 structures by 2.33 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.52, support = 5.53, residual support = 152.5:
          HG13  ILE  119 - HN    ILE  119   3.23 +/- 0.47  61.700% * 41.9040% (0.31   6.96 256.71) =  57.087%  kept
          QB    ALA   20 - HN    CYS   21   3.60 +/- 0.01  34.438% * 56.4303% (0.80   3.63  13.94) =  42.909%  kept
          QG2   VAL  107 - HN    ILE  119   5.74 +/- 0.74   2.676% *  0.0274% (0.07   0.02   0.02) =   0.002%
          QG1   VAL   24 - HN    CYS   21   7.92 +/- 0.52   0.325% *  0.1200% (0.31   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    ILE  119   7.11 +/- 0.65   0.750% *  0.0505% (0.13   0.02   3.58) =   0.001%
          HB3   LEU   31 - HN    CYS   21  12.37 +/- 0.39   0.022% *  0.3752% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ILE  119  10.39 +/- 1.25   0.075% *  0.0505% (0.13   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  19.11 +/- 1.96   0.002% *  0.3811% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    CYS   21  14.93 +/- 0.71   0.007% *  0.0866% (0.22   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  19.09 +/- 0.57   0.002% *  0.0984% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  22.24 +/- 1.49   0.001% *  0.1186% (0.30   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  23.75 +/- 1.39   0.000% *  0.1598% (0.41   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  25.44 +/- 1.82   0.000% *  0.1598% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  20.90 +/- 1.98   0.001% *  0.0379% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.549, support = 2.12, residual support = 8.53:
          QD2   LEU   73 - HN    CYS   21   4.82 +/- 0.45  57.198% * 80.3360% (0.57   2.19   8.95) =  95.284%  kept
          QD1   ILE   19 - HN    CYS   21   5.98 +/- 0.40  16.987% * 12.4230% (0.22   0.86   0.11) =   4.376%  kept
          QG2   VAL   18 - HN    CYS   21   6.73 +/- 0.59   8.728% *  0.8385% (0.65   0.02   0.02) =   0.152%
          QG1   VAL   43 - HN    CYS   21   7.76 +/- 0.73   3.928% *  1.1244% (0.87   0.02   0.02) =   0.092%
          QG2   THR   46 - HN    CYS   21   7.99 +/- 0.72   3.031% *  0.6820% (0.53   0.02   0.02) =   0.043%
          QD1   ILE   56 - HN    ILE  119   6.90 +/- 0.77   8.242% *  0.1264% (0.10   0.02   0.02) =   0.022%
          QG1   VAL   41 - HN    CYS   21  10.66 +/- 0.99   0.549% *  1.2706% (0.98   0.02   0.02) =   0.014%
          HG    LEU   31 - HN    CYS   21  10.12 +/- 0.61   0.725% *  0.9413% (0.73   0.02   0.02) =   0.014%
          QG1   VAL   43 - HN    ILE  119  13.19 +/- 0.95   0.144% *  0.3553% (0.27   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    ILE  119  12.84 +/- 0.92   0.168% *  0.2650% (0.20   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    ILE  119  15.35 +/- 1.32   0.061% *  0.4015% (0.31   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    ILE  119  14.39 +/- 1.03   0.090% *  0.2319% (0.18   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    CYS   21  15.97 +/- 0.92   0.044% *  0.4001% (0.31   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    ILE  119  14.90 +/- 1.10   0.075% *  0.2155% (0.17   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ILE  119  17.66 +/- 1.06   0.024% *  0.0912% (0.07   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    ILE  119  21.83 +/- 1.63   0.007% *  0.2974% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.421, support = 4.5, residual support = 8.37:
          QD1   LEU   73 - HN    CYS   21   4.68 +/- 0.54  18.241% * 80.7045% (0.53   4.90   8.95) =  75.914%  kept
          QD2   LEU  115 - HN    ILE  119   4.05 +/- 0.56  44.033% *  8.4761% (0.07   3.85   8.16) =  19.246%  kept
          QD1   LEU   63 - HN    ILE  119   5.19 +/- 0.86  12.335% *  5.7885% (0.17   1.11   0.25) =   3.682%  kept
          QD2   LEU   80 - HN    CYS   21   5.39 +/- 0.54   7.983% *  2.3236% (0.20   0.37   0.02) =   0.957%  kept
          QD2   LEU   63 - HN    ILE  119   5.29 +/- 1.08  12.355% *  0.1975% (0.32   0.02   0.25) =   0.126%
          QD1   LEU   80 - HN    CYS   21   6.21 +/- 0.95   4.504% *  0.2808% (0.45   0.02   0.02) =   0.065%
          QG2   VAL   41 - HN    CYS   21   9.96 +/- 1.43   0.273% *  0.4052% (0.65   0.02   0.02) =   0.006%
          QD2   LEU   98 - HN    CYS   21  11.15 +/- 1.03   0.107% *  0.2808% (0.45   0.02   0.02) =   0.002%
          QD2   LEU   63 - HN    CYS   21  13.25 +/- 1.03   0.038% *  0.6250% (1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    CYS   21  12.50 +/- 0.95   0.053% *  0.3296% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    ILE  119  13.39 +/- 1.43   0.034% *  0.0887% (0.14   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ILE  119  14.48 +/- 1.17   0.019% *  0.1280% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE  119  15.52 +/- 0.91   0.012% *  0.1041% (0.17   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    CYS   21  17.70 +/- 1.67   0.006% *  0.1395% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ILE  119  19.83 +/- 1.03   0.003% *  0.0887% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE  119  18.57 +/- 0.73   0.004% *  0.0392% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 0.284, support = 5.75, residual support = 36.3:
          HN    THR  118 - HN    ILE  119   2.63 +/- 0.16  96.587% * 54.6627% (0.28   5.83  36.89) =  97.473%  kept
          HN    GLN  116 - HN    ILE  119   4.70 +/- 0.24   3.154% * 43.3677% (0.53   2.45  14.44) =   2.525%  kept
          HN    GLU- 114 - HN    ILE  119   7.74 +/- 0.41   0.169% *  0.6377% (0.95   0.02   0.02) =   0.002%
          HN    PHE   60 - HN    ILE  119   9.01 +/- 0.62   0.072% *  0.0912% (0.14   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    CYS   21  12.14 +/- 0.35   0.011% *  0.2015% (0.30   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ILE  119  15.07 +/- 1.31   0.003% *  0.6377% (0.95   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    CYS   21  15.57 +/- 0.73   0.003% *  0.0288% (0.04   0.02   0.02) =   0.000%
          HN    GLU- 114 - HN    CYS   21  24.38 +/- 0.87   0.000% *  0.2015% (0.30   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    CYS   21  23.18 +/- 0.90   0.000% *  0.1121% (0.17   0.02   0.02) =   0.000%
          HN    THR  118 - HN    CYS   21  21.90 +/- 0.69   0.000% *  0.0592% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.642, support = 2.55, residual support = 17.1:
          HN    HIS  122 - HN    ILE  119   5.12 +/- 0.12  26.456% * 72.9265% (1.00   2.17  15.52) =  54.174%  kept
          QE    PHE   59 - HN    ILE  119   4.19 +/- 0.82  72.342% * 22.5118% (0.22   3.00  19.06) =  45.729%  kept
          HN    PHE   59 - HN    ILE  119   8.74 +/- 0.83   1.035% *  3.2960% (0.57   0.17  19.06) =   0.096%
          HH2   TRP   87 - HN    CYS   21  13.35 +/- 1.68   0.101% *  0.2125% (0.32   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    ILE  119  19.92 +/- 2.15   0.008% *  0.6726% (1.00   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    CYS   21  15.90 +/- 2.67   0.041% *  0.0474% (0.07   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    CYS   21  18.19 +/- 0.75   0.013% *  0.1206% (0.18   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    CYS   21  21.95 +/- 0.80   0.004% *  0.2125% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.86, residual support = 13.9:
          HN    ALA   20 - HN    CYS   21   4.22 +/- 0.05  99.995% * 99.7794% (0.95   2.86  13.94) = 100.000%  kept
          HN    ALA   20 - HN    ILE  119  21.76 +/- 0.70   0.005% *  0.2206% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 5.58, residual support = 55.4:
        T HN    ALA  120 - HN    ILE  119   2.58 +/- 0.06  99.184% * 99.4047% (1.00 10.00   5.58  55.40) =  99.999%  kept
          HE21  GLN  116 - HN    ILE  119   6.27 +/- 1.00   0.754% *  0.0796% (0.80  1.00   0.02  14.44) =   0.001%
          HN    ALA   57 - HN    ILE  119  11.34 +/- 1.16   0.017% *  0.0722% (0.73  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    ILE  119  10.58 +/- 0.22   0.021% *  0.0248% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  12.05 +/- 2.23   0.020% *  0.0055% (0.06  1.00   0.02   0.02) =   0.000%
        T HN    ALA  120 - HN    CYS   21  22.93 +/- 0.75   0.000% *  0.3141% (0.32 10.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  17.64 +/- 0.85   0.001% *  0.0228% (0.23  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  21.95 +/- 3.02   0.000% *  0.0197% (0.20  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  18.03 +/- 2.48   0.001% *  0.0062% (0.06  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  21.22 +/- 1.32   0.000% *  0.0174% (0.18  1.00   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  24.91 +/- 2.00   0.000% *  0.0252% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  25.90 +/- 1.56   0.000% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 5.31, residual support = 36.9:
          HB    THR  118 - HN    ILE  119   2.91 +/- 0.26  99.961% * 98.0499% (0.98   5.31  36.89) = 100.000%  kept
          HB    THR   39 - HN    CYS   21  14.10 +/- 0.63   0.009% *  0.0910% (0.24   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ILE  119  17.40 +/- 0.67   0.002% *  0.3381% (0.90   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    CYS   21  15.60 +/- 0.79   0.005% *  0.1068% (0.28   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    CYS   21  15.63 +/- 0.66   0.005% *  0.1068% (0.28   0.02   0.02) =   0.000%
          QB    SER   13 - HN    CYS   21  15.18 +/- 0.97   0.006% *  0.0865% (0.23   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    CYS   21  14.40 +/- 1.18   0.008% *  0.0490% (0.13   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE  119  20.00 +/- 1.51   0.001% *  0.2881% (0.76   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE  119  23.80 +/- 1.47   0.000% *  0.3381% (0.90   0.02   0.02) =   0.000%
          HB    THR  118 - HN    CYS   21  19.93 +/- 0.82   0.001% *  0.1168% (0.31   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE  119  23.06 +/- 1.14   0.000% *  0.2738% (0.73   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ILE  119  27.13 +/- 0.82   0.000% *  0.1550% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.897, support = 7.86, residual support = 256.7:
          HG12  ILE  119 - HN    ILE  119   2.18 +/- 0.18  99.694% * 97.7350% (0.90   7.86 256.71) = 100.000%  kept
          HB2   ASP- 105 - HN    ILE  119   6.76 +/- 1.13   0.197% *  0.0375% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    CYS   21   8.33 +/- 0.62   0.039% *  0.0786% (0.28   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   21   8.74 +/- 0.60   0.031% *  0.0846% (0.30   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    CYS   21   9.44 +/- 0.64   0.017% *  0.0461% (0.17   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ILE  119  13.06 +/- 0.72   0.003% *  0.2487% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   21  11.39 +/- 1.63   0.008% *  0.0809% (0.29   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ILE  119  14.17 +/- 0.89   0.002% *  0.2677% (0.97   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   21  12.18 +/- 1.29   0.005% *  0.0702% (0.25   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   21  14.78 +/- 1.96   0.002% *  0.0869% (0.31   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ILE  119  18.45 +/- 1.84   0.000% *  0.2749% (0.99   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ILE  119  17.66 +/- 1.54   0.000% *  0.2221% (0.80   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ILE  119  16.79 +/- 1.35   0.001% *  0.1140% (0.41   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ILE  119  21.91 +/- 1.10   0.000% *  0.2560% (0.92   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    CYS   21  19.23 +/- 1.08   0.000% *  0.0786% (0.28   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  19.27 +/- 1.79   0.000% *  0.0360% (0.13   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   21  19.71 +/- 1.64   0.000% *  0.0299% (0.11   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  27.19 +/- 1.07   0.000% *  0.1459% (0.53   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  19.32 +/- 0.80   0.000% *  0.0119% (0.04   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  29.07 +/- 1.21   0.000% *  0.0946% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 7.55, residual support = 256.7:
      O   HB    ILE  119 - HN    ILE  119   2.44 +/- 0.12  99.491% * 99.0354% (0.92  10.0   7.55 256.71) = 100.000%  kept
          HG3   GLN   30 - HN    CYS   21   6.91 +/- 0.46   0.233% *  0.0336% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    CYS   21   7.20 +/- 0.45   0.162% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE  119   9.61 +/- 1.15   0.034% *  0.0441% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ILE  119  12.03 +/- 0.88   0.008% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  11.40 +/- 1.48   0.015% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  14.85 +/- 2.36   0.004% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.46 +/- 0.29   0.017% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21   9.90 +/- 0.28   0.023% *  0.0067% (0.06   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  12.57 +/- 0.64   0.006% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  17.16 +/- 0.98   0.001% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  17.80 +/- 1.10   0.001% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  21.07 +/- 1.54   0.000% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  21.70 +/- 1.08   0.000% *  0.0990% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  19.00 +/- 1.05   0.000% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  18.32 +/- 1.77   0.001% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  15.78 +/- 0.90   0.001% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  18.63 +/- 1.06   0.001% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  23.58 +/- 1.19   0.000% *  0.1063% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  20.12 +/- 0.93   0.000% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  21.33 +/- 1.27   0.000% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  21.20 +/- 1.66   0.000% *  0.0219% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  24.04 +/- 0.72   0.000% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  28.94 +/- 1.01   0.000% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.12, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.936, support = 6.7, residual support = 239.5:
          HG13  ILE  119 - HN    ILE  119   3.23 +/- 0.47  52.766% * 85.0200% (0.99   6.96 256.71) =  93.029%  kept
          QB    ALA   20 - HN    CYS   21   3.60 +/- 0.01  27.176% *  8.5636% (0.19   3.63  13.94) =   4.826%  kept
          QG1   VAL  107 - HN    ILE  119   4.10 +/- 0.77  19.092% *  5.4151% (0.20   2.22   0.02) =   2.144%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.11 +/- 0.65   0.632% *  0.0615% (0.25   0.02   3.58) =   0.001%
          QG1   VAL   24 - HN    CYS   21   7.92 +/- 0.52   0.247% *  0.0379% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ILE  119  10.39 +/- 1.25   0.061% *  0.1495% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  12.37 +/- 0.39   0.017% *  0.0777% (0.32   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  19.09 +/- 0.57   0.001% *  0.1495% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  22.24 +/- 1.49   0.001% *  0.2459% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  19.11 +/- 1.96   0.002% *  0.0772% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  20.90 +/- 1.98   0.001% *  0.1200% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  15.82 +/- 0.71   0.004% *  0.0154% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  25.44 +/- 1.82   0.000% *  0.0472% (0.19   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  23.75 +/- 1.39   0.000% *  0.0194% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.574, support = 0.0198, residual support = 2.53:
          QD1   LEU   67 - HN    ILE  119   8.74 +/- 2.44  15.773% * 15.1858% (0.92   0.02   0.02) =  40.112%  kept
          HB    VAL   75 - HN    CYS   21   6.60 +/- 0.64  36.784% *  3.9726% (0.24   0.02   2.39) =  24.471%  kept
          HG3   LYS+  74 - HN    CYS   21   6.65 +/- 0.27  33.610% *  3.7747% (0.23   0.02   9.08) =  21.245%  kept
          QD2   LEU   40 - HN    ILE  119  11.26 +/- 1.51   2.212% * 15.5616% (0.95   0.02   0.02) =   5.763%  kept
          QG2   ILE  103 - HN    ILE  119  11.06 +/- 1.03   1.769% * 13.7407% (0.84   0.02   0.02) =   4.071%  kept
          QD2   LEU   71 - HN    CYS   21   9.10 +/- 1.01   5.489% *  1.2962% (0.08   0.02   0.02) =   1.192%  kept
          QD2   LEU   71 - HN    ILE  119  14.76 +/- 2.69   1.589% *  4.1020% (0.25   0.02   0.02) =   1.092%  kept
          QD1   LEU   67 - HN    CYS   21  13.14 +/- 1.33   0.838% *  4.7985% (0.29   0.02   0.02) =   0.673%  kept
          QD2   LEU   40 - HN    CYS   21  13.31 +/- 1.18   0.608% *  4.9173% (0.30   0.02   0.02) =   0.501%  kept
          QD1   ILE  103 - HN    ILE  119  13.13 +/- 1.23   0.636% *  2.8810% (0.18   0.02   0.02) =   0.307%
          HB    VAL   75 - HN    ILE  119  17.98 +/- 1.21   0.096% * 12.5720% (0.76   0.02   0.02) =   0.203%
          HG3   LYS+  74 - HN    ILE  119  17.64 +/- 1.17   0.099% * 11.9456% (0.73   0.02   0.02) =   0.199%
          QG2   ILE  103 - HN    CYS   21  16.12 +/- 0.60   0.168% *  4.3419% (0.26   0.02   0.02) =   0.122%
          QD1   ILE  103 - HN    CYS   21  14.54 +/- 0.74   0.329% *  0.9104% (0.06   0.02   0.02) =   0.050%
    Distance limit 3.46 A violated in 20 structures by 2.04 A, eliminated.
    Peak unassigned.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.51, residual support = 36.9:
          QG2   THR  118 - HN    ILE  119   3.24 +/- 0.40  99.988% * 99.9031% (0.57   6.51  36.89) = 100.000%  kept
          QG2   THR  118 - HN    CYS   21  15.25 +/- 0.61   0.012% *  0.0969% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 0.786, support = 4.11, residual support = 51.3:
          QB    ALA  120 - HN    ILE  119   4.16 +/- 0.06  54.749% * 69.4149% (0.80   4.40  55.40) =  91.187%  kept
          HG    LEU  115 - HN    ILE  119   5.73 +/- 0.84  13.013% * 11.3432% (0.80   0.72   8.16) =   3.542%  kept
          HG    LEU   73 - HN    CYS   21   5.59 +/- 1.27  21.089% *  5.5740% (0.15   1.84   8.95) =   2.820%  kept
          HB3   LEU  115 - HN    ILE  119   5.77 +/- 0.54   9.013% * 11.2961% (0.95   0.61   8.16) =   2.443%  kept
          QG    LYS+  66 - HN    ILE  119   8.43 +/- 1.69   1.440% *  0.1216% (0.31   0.02   0.02) =   0.004%
          HG    LEU   67 - HN    ILE  119  11.44 +/- 2.42   0.322% *  0.3904% (0.99   0.02   0.02) =   0.003%
          HG    LEU   40 - HN    ILE  119  13.46 +/- 1.50   0.064% *  0.3726% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ILE  119  11.79 +/- 1.66   0.151% *  0.0690% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ILE  119  14.90 +/- 1.45   0.032% *  0.2230% (0.57   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  15.26 +/- 0.82   0.023% *  0.1177% (0.30   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  17.41 +/- 1.24   0.012% *  0.1917% (0.49   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  16.24 +/- 1.45   0.018% *  0.1234% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    CYS   21  15.33 +/- 0.86   0.023% *  0.0705% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  19.67 +/- 1.77   0.006% *  0.2389% (0.61   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  19.87 +/- 1.08   0.005% *  0.1177% (0.30   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    CYS   21  15.53 +/- 1.11   0.022% *  0.0218% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.73 +/- 0.93   0.010% *  0.0384% (0.10   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    CYS   21  21.14 +/- 0.56   0.003% *  0.0997% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    CYS   21  21.47 +/- 1.63   0.003% *  0.0997% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  22.01 +/- 1.49   0.003% *  0.0755% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1184 (0.13, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 1.64, residual support = 2.39:
          QG2   VAL   75 - HN    CYS   21   4.44 +/- 0.30  97.555% * 98.1346% (1.00   1.65   2.39) =  99.987%  kept
          QG2   VAL   42 - HN    ILE  119   9.21 +/- 1.08   1.888% *  0.3574% (0.30   0.02   0.02) =   0.007%
          QG2   VAL   42 - HN    CYS   21  10.81 +/- 0.34   0.497% *  1.1310% (0.95   0.02   0.02) =   0.006%
          QG2   VAL   75 - HN    ILE  119  15.52 +/- 0.65   0.060% *  0.3770% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.17 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   2.15 +/- 0.06  99.998% * 99.6430% (0.84  10.0   3.74  15.24) = 100.000%  kept
          QG2   VAL  107 - HN    ALA   20  16.45 +/- 0.68   0.001% *  0.1070% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  14.84 +/- 0.52   0.001% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  19.76 +/- 0.60   0.000% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  19.60 +/- 1.94   0.000% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ALA   20  24.72 +/- 1.55   0.000% *  0.1190% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 3.69, residual support = 25.5:
          QG2   ILE   19 - HN    ALA   20   2.71 +/- 0.31  99.995% * 99.7552% (0.99   3.69  25.52) = 100.000%  kept
          QD1   LEU   98 - HN    ALA   20  14.78 +/- 0.93   0.005% *  0.2448% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 5.86, residual support = 172.3:
      O   HB    ILE   19 - HN    ILE   19   2.40 +/- 0.21  99.460% * 99.4048% (0.97  10.0   5.86 172.34) = 100.000%  kept
          HB2   GLN   17 - HN    ILE   19   5.96 +/- 0.26   0.464% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE   19   8.43 +/- 0.58   0.061% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ILE   19  13.85 +/- 1.10   0.004% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE   19  13.04 +/- 1.96   0.007% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE   19  15.01 +/- 0.29   0.002% *  0.0924% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ILE   19  18.91 +/- 1.38   0.000% *  0.1021% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  17.68 +/- 0.88   0.001% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  18.93 +/- 1.12   0.001% *  0.0257% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  22.46 +/- 0.84   0.000% *  0.0666% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.723, support = 5.97, residual support = 165.3:
          HG12  ILE   19 - HN    ILE   19   3.46 +/- 0.68  73.960% * 78.0222% (0.73   6.18 172.34) =  95.790%  kept
          HG    LEU   73 - HN    ILE   19   5.13 +/- 0.59  13.066% * 14.9506% (0.80   1.07   4.16) =   3.243%  kept
          HB3   LYS+  74 - HN    ILE   19   5.22 +/- 0.79  12.248% *  4.7400% (0.18   1.56   8.69) =   0.964%  kept
          QB    ALA   61 - HN    ILE   19   8.99 +/- 0.84   0.339% *  0.3354% (0.97   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ILE   19  10.61 +/- 1.21   0.121% *  0.3476% (1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ILE   19  12.44 +/- 0.64   0.044% *  0.2903% (0.84   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE   19  13.25 +/- 0.99   0.030% *  0.3288% (0.95   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ILE   19  11.43 +/- 1.78   0.098% *  0.0774% (0.22   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE   19  12.29 +/- 0.82   0.045% *  0.1073% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE   19  13.52 +/- 0.91   0.028% *  0.1073% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ILE   19  16.48 +/- 1.52   0.009% *  0.2783% (0.80   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ILE   19  17.45 +/- 1.10   0.006% *  0.1073% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   19  21.29 +/- 1.46   0.002% *  0.2387% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ILE   19  18.93 +/- 2.07   0.004% *  0.0688% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.86, residual support = 172.3:
          HG13  ILE   19 - HN    ILE   19   3.35 +/- 0.53  95.516% * 97.9825% (0.97   5.86 172.34) =  99.985%  kept
          HG2   LYS+  74 - HN    ILE   19   6.69 +/- 0.85   3.279% *  0.3434% (0.99   0.02   8.69) =   0.012%
          HG    LEU   71 - HN    ILE   19   8.30 +/- 0.99   0.707% *  0.3396% (0.98   0.02   0.02) =   0.003%
          QG2   THR   39 - HN    ILE   19   9.55 +/- 0.66   0.248% *  0.2380% (0.69   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    ILE   19  10.06 +/- 0.40   0.165% *  0.0469% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ILE   19  12.72 +/- 1.57   0.056% *  0.0864% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   19  17.13 +/- 1.22   0.007% *  0.3457% (1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ILE   19  17.24 +/- 0.90   0.007% *  0.2380% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    ILE   19  16.37 +/- 0.55   0.010% *  0.1300% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   19  18.97 +/- 0.92   0.004% *  0.1424% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   19  22.81 +/- 0.96   0.001% *  0.1069% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 4.86, residual support = 22.7:
          QG1   VAL   18 - HN    ILE   19   2.65 +/- 0.34  94.699% * 96.4042% (0.34   4.87  22.72) =  99.954%  kept
          QD1   LEU   71 - HN    ILE   19   6.61 +/- 2.00   5.160% *  0.7978% (0.69   0.02   0.02) =   0.045%
          QG1   VAL   70 - HN    ILE   19   8.77 +/- 1.23   0.136% *  0.5207% (0.45   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    ILE   19  15.64 +/- 1.34   0.003% *  0.7978% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ILE   19  18.48 +/- 0.85   0.001% *  1.1209% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    ILE   19  17.24 +/- 1.56   0.002% *  0.3585% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.822, support = 4.85, residual support = 62.6:
          QG2   VAL   18 - HN    ILE   19   3.58 +/- 0.40  38.658% * 57.4079% (0.97   4.85  22.72) =  68.085%  kept
          QD1   ILE   19 - HN    ILE   19   4.06 +/- 0.59  23.600% * 37.6290% (0.57   5.42 172.34) =  27.244%  kept
          QD2   LEU   73 - HN    ILE   19   3.68 +/- 0.67  37.141% *  4.0956% (0.22   1.50   4.16) =   4.667%  kept
          QG1   VAL   43 - HN    ILE   19   8.11 +/- 0.66   0.296% *  0.2431% (0.99   0.02   0.02) =   0.002%
          QG2   THR   46 - HN    ILE   19   8.98 +/- 0.79   0.158% *  0.2200% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    ILE   19   9.98 +/- 1.03   0.112% *  0.2200% (0.90   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ILE   19  12.03 +/- 0.82   0.029% *  0.0837% (0.34   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ILE   19  15.77 +/- 0.81   0.006% *  0.1008% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1192 (1.43, 8.71, 131.46 ppm):
    14 chemical-shift based assignments, quality = 0.709, support = 4.25, residual support = 24.6:
          HG12  ILE   19 - HN    ALA   20   4.78 +/- 0.75  61.211% * 80.4820% (0.73   4.41  25.52) =  95.311%  kept
          HB3   LYS+  74 - HN    ALA   20   5.44 +/- 0.37  30.459% *  5.4630% (0.18   1.24   8.12) =   3.219%  kept
          HG    LEU   73 - HN    ALA   20   7.52 +/- 0.94   7.024% * 10.7475% (0.80   0.53   0.02) =   1.461%  kept
          QB    ALA   61 - HN    ALA   20  11.31 +/- 1.04   0.456% *  0.4851% (0.97   0.02   0.02) =   0.004%
          HG    LEU   80 - HN    ALA   20  11.52 +/- 0.59   0.355% *  0.4198% (0.84   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    ALA   20  14.79 +/- 1.25   0.087% *  0.5026% (1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ALA   20  12.96 +/- 0.80   0.170% *  0.1551% (0.31   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ALA   20  16.76 +/- 1.11   0.041% *  0.4755% (0.95   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   20  15.56 +/- 2.10   0.108% *  0.1119% (0.22   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   20  18.76 +/- 1.49   0.020% *  0.4025% (0.80   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   20  16.14 +/- 0.90   0.050% *  0.1551% (0.31   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   20  21.05 +/- 1.07   0.010% *  0.1551% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   20  24.32 +/- 1.65   0.004% *  0.3453% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   20  23.17 +/- 2.04   0.006% *  0.0995% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.533, support = 2.31, residual support = 8.44:
          HG    LEU   73 - HN    CYS   21   5.59 +/- 1.27  23.553% * 41.2738% (0.80   1.84   8.95) =  52.328%  kept
          HB3   LYS+  74 - HN    CYS   21   4.38 +/- 0.29  49.959% * 15.0081% (0.18   3.06   9.08) =  40.361%  kept
          HG12  ILE   19 - HN    CYS   21   6.98 +/- 0.21   3.029% * 35.7347% (0.73   1.76   0.11) =   5.827%  kept
          HB3   LEU  115 - HN    ILE  119   5.77 +/- 0.54  11.206% *  1.6565% (0.10   0.61   8.16) =   0.999%  kept
          HD3   LYS+ 121 - HN    ILE  119   6.54 +/- 0.82   5.780% *  1.2633% (0.06   0.72   3.58) =   0.393%
          HG    LEU   80 - HN    CYS   21   7.63 +/- 0.61   2.082% *  0.4680% (0.84   0.02   0.02) =   0.052%
          QG    LYS+  66 - HN    ILE  119   8.43 +/- 1.69   2.041% *  0.1675% (0.30   0.02   0.02) =   0.018%
          HB2   LEU   80 - HN    CYS   21   8.93 +/- 0.78   0.769% *  0.1729% (0.31   0.02   0.02) =   0.007%
          QB    ALA   61 - HN    CYS   21  12.28 +/- 1.01   0.116% *  0.5407% (0.97   0.02   0.02) =   0.003%
          QB    ALA  110 - HN    ILE  119  10.20 +/- 1.25   0.415% *  0.1418% (0.25   0.02   0.02) =   0.003%
          QB    ALA   61 - HN    ILE  119  10.76 +/- 0.73   0.246% *  0.1709% (0.30   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ILE  119  11.79 +/- 1.66   0.187% *  0.1770% (0.32   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    CYS   21  15.53 +/- 1.11   0.028% *  0.5603% (1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ILE  119  11.44 +/- 2.42   0.379% *  0.0394% (0.07   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    CYS   21  17.23 +/- 1.24   0.015% *  0.4486% (0.80   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.73 +/- 0.93   0.012% *  0.5300% (0.95   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  15.26 +/- 0.82   0.028% *  0.1729% (0.31   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE  119  13.46 +/- 1.50   0.078% *  0.0546% (0.10   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  16.24 +/- 1.45   0.022% *  0.1247% (0.22   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  17.41 +/- 1.24   0.015% *  0.1418% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  22.01 +/- 1.49   0.003% *  0.3849% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  19.87 +/- 1.08   0.006% *  0.1729% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  19.67 +/- 1.77   0.007% *  0.1216% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  119  19.72 +/- 1.63   0.006% *  0.1286% (0.23   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    CYS   21  21.97 +/- 1.82   0.003% *  0.1109% (0.20   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  119  23.17 +/- 1.20   0.002% *  0.1479% (0.26   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  119  18.56 +/- 0.91   0.009% *  0.0310% (0.06   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  119  23.06 +/- 0.77   0.002% *  0.0546% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.17, residual support = 84.4:
      O   QG    GLN   17 - HE21  GLN   17   2.20 +/- 0.08  99.996% * 99.5957% (0.48  10.0   3.17  84.43) = 100.000%  kept
          HB    VAL   70 - HE21  GLN   17  12.73 +/- 1.11   0.003% *  0.0879% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HE21  GLN   17  19.82 +/- 2.56   0.000% *  0.1161% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HE21  GLN   17  21.00 +/- 1.85   0.000% *  0.1053% (0.51   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HE21  GLN   17  19.28 +/- 2.80   0.000% *  0.0403% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  19.35 +/- 1.65   0.000% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  27.60 +/- 1.98   0.000% *  0.0224% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 5.47, residual support = 50.1:
        T HN    VAL   18 - HN    GLN   17   4.41 +/- 0.02  99.416% * 99.9055% (0.73 10.00   5.47  50.10) =  99.999%  kept
          HN    SER   13 - HN    GLN   17  10.65 +/- 0.85   0.584% *  0.0945% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1196 (7.68, 8.27, 122.56 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 5.47, residual support = 50.1:
        T HN    GLN   17 - HN    VAL   18   4.41 +/- 0.02  99.880% * 99.7850% (0.89 10.00   5.47  50.10) = 100.000%  kept
          HD21  ASN   69 - HN    VAL   18  13.94 +/- 1.01   0.111% *  0.1079% (0.96  1.00   0.02   0.02) =   0.000%
          HN    TRP   87 - HN    VAL   18  20.98 +/- 0.60   0.009% *  0.1071% (0.96  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1197 (8.46, 8.93, 131.32 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.25, residual support = 8.69:
        T HN    LYS+  74 - HN    ILE   19   3.76 +/- 0.41  99.810% * 99.4791% (0.41 10.00   3.25   8.69) = 100.000%  kept
          HN    THR   46 - HN    ILE   19  10.98 +/- 0.72   0.176% *  0.2021% (0.84  1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    ILE   19  19.31 +/- 0.75   0.006% *  0.2335% (0.97  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE   19  20.23 +/- 1.54   0.005% *  0.0373% (0.15  1.00   0.02   0.02) =   0.000%
          HN    ASP- 113 - HN    ILE   19  23.42 +/- 0.79   0.002% *  0.0479% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.816, support = 2.81, residual support = 3.17:
          HN    THR   26 - HN    VAL   24   4.51 +/- 0.12  65.654% * 86.0099% (0.87   2.88   2.66) =  92.352%  kept
          HN    LEU   80 - HN    VAL   24   5.07 +/- 0.38  34.287% * 13.6382% (0.20   2.00   9.40) =   7.648%  kept
          HN    ALA   34 - HN    VAL   24  15.01 +/- 0.30   0.050% *  0.0933% (0.14   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    VAL   24  19.81 +/- 1.14   0.010% *  0.2586% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 25.8:
          HN    THR   23 - HN    VAL   24   4.54 +/- 0.07  92.123% * 98.2410% (0.98   4.38  25.85) =  99.973%  kept
          HE3   TRP   27 - HN    VAL   24   8.04 +/- 1.05   6.434% *  0.3499% (0.76   0.02  25.95) =   0.025%
          HD2   HIS   22 - HN    VAL   24   9.23 +/- 0.18   1.334% *  0.1019% (0.22   0.02   0.02) =   0.002%
          QE    PHE   95 - HN    VAL   24  15.22 +/- 0.94   0.068% *  0.4539% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    VAL   24  17.69 +/- 1.73   0.030% *  0.1562% (0.34   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    VAL   24  23.11 +/- 1.23   0.006% *  0.3825% (0.84   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    VAL   24  22.89 +/- 0.88   0.006% *  0.3145% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1200 (10.58, 10.20, 129.00 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.75, residual support = 6.0:
          HE1   TRP   87 - HE1   TRP   27   4.93 +/- 1.96 100.000% *100.0000% (0.53   0.75   6.00) = 100.000%  kept
    Distance limit 3.95 A violated in 5 structures by 1.08 A, kept.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.04, residual support = 18.8:
        T HN    ALA   34 - HN    ASN   35   2.70 +/- 0.05  97.406% * 98.9220% (0.98 10.00   4.04  18.77) =  99.999%  kept
          HN    GLN   32 - HN    ASN   35   4.95 +/- 0.12   2.593% *  0.0531% (0.53  1.00   0.02   6.11) =   0.001%
        T HN    LEU   80 - HN    ASN   35  20.56 +/- 0.55   0.001% *  0.9316% (0.92 10.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  21.77 +/- 0.93   0.000% *  0.0200% (0.20  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    ASN   35  29.19 +/- 0.93   0.000% *  0.0733% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 19.0:
        T HN    SER   37 - HN    GLU-  36   2.41 +/- 0.04  99.999% * 99.7690% (0.98 10.00   3.97  19.02) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  16.18 +/- 0.34   0.001% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  23.82 +/- 0.67   0.000% *  0.1009% (0.99  1.00   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  25.75 +/- 1.47   0.000% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 5.31, residual support = 22.8:
        T HN    LYS+  38 - HN    THR   39   2.65 +/- 0.09  99.959% * 99.8693% (1.00 10.00   5.31  22.80) = 100.000%  kept
          HN    LEU   31 - HN    THR   39   9.80 +/- 0.30   0.041% *  0.0278% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    THR   39  21.28 +/- 0.77   0.000% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  29.82 +/- 1.12   0.000% *  0.0688% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1205 (9.33, 9.16, 125.94 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 16.4:
          HN    MET   96 - HN    VAL   43   3.19 +/- 0.44  99.181% * 99.8546% (0.76   4.00  16.41) =  99.999%  kept
          HN    PHE   72 - HN    VAL   43   7.95 +/- 0.49   0.819% *  0.1454% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 3.97, residual support = 6.58:
          HN    LEU   73 - HN    ASP-  44   3.42 +/- 0.41  97.375% * 68.5162% (0.38   4.00   6.66) =  98.834%  kept
          HN    VAL   42 - HN    ASP-  44   6.56 +/- 0.21   2.572% * 30.5727% (0.38   1.78   0.02) =   1.165%  kept
          HN    LYS+ 106 - HN    ASP-  44  12.42 +/- 0.35   0.053% *  0.9111% (1.00   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.8, residual support = 36.0:
          HN    VAL   42 - HN    VAL   43   4.29 +/- 0.14  75.979% * 68.3502% (0.38   6.22  39.91) =  87.716%  kept
          HN    LEU   73 - HN    VAL   43   5.29 +/- 0.49  23.400% * 31.0654% (0.38   2.83   8.01) =  12.278%  kept
          HN    LYS+ 106 - HN    VAL   43   9.65 +/- 0.33   0.621% *  0.5844% (1.00   0.02   0.02) =   0.006%
    Distance limit 4.15 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.84, support = 0.02, residual support = 0.02:
          HN    ALA   84 - HN    ASP-  44  11.50 +/- 0.46  33.613% * 23.7147% (1.00   0.02   0.02) =  41.565%  kept
          HN    LEU   63 - HN    ASP-  44  10.90 +/- 0.53  46.205% * 15.3753% (0.65   0.02   0.02) =  37.043%  kept
          HN    ILE   56 - HN    ASP-  44  14.09 +/- 1.19  10.731% * 18.1638% (0.76   0.02   0.02) =  10.163%  kept
          HN    LYS+ 111 - HN    ASP-  44  14.95 +/- 1.36   7.574% * 23.7147% (1.00   0.02   0.02) =   9.366%  kept
          HE21  GLN   32 - HN    ASP-  44  18.81 +/- 1.01   1.877% * 19.0315% (0.80   0.02   0.02) =   1.863%  kept
    Distance limit 4.13 A violated in 20 structures by 5.43 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.562, support = 0.0199, residual support = 0.41:
          QD    PHE   60 - HN    ASP-  44   6.51 +/- 0.76  81.879% * 13.9289% (0.41   0.02   0.59) =  68.676%  kept
          QE    PHE   59 - HN    ASP-  44  10.29 +/- 2.88  14.375% * 31.2761% (0.92   0.02   0.02) =  27.073%  kept
          HN    LYS+  66 - HN    ASP-  44  13.22 +/- 0.51   1.370% * 30.3855% (0.90   0.02   0.02) =   2.507%  kept
          HN    PHE   59 - HN    ASP-  44  13.24 +/- 0.89   1.186% * 19.1819% (0.57   0.02   0.02) =   1.370%  kept
          HN    LYS+  81 - HN    ASP-  44  13.58 +/- 0.42   1.191% *  5.2277% (0.15   0.02   0.02) =   0.375%
    Distance limit 4.42 A violated in 18 structures by 1.87 A, eliminated.
    Peak unassigned.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.66, support = 0.02, residual support = 0.02:
          HN    GLN   17 - HN    ASP-  62  11.37 +/- 0.79  80.039% * 29.1578% (0.63   0.02   0.02) =  76.504%  kept
          HD21  ASN   69 - HN    ASP-  62  14.83 +/- 1.12  18.189% * 36.0114% (0.77   0.02   0.02) =  21.472%  kept
          HN    TRP   87 - HN    ASP-  62  21.68 +/- 0.54   1.772% * 34.8308% (0.75   0.02   0.02) =   2.024%  kept
    Distance limit 3.34 A violated in 20 structures by 7.60 A, eliminated.
    Peak unassigned.
 
    Peak 1211 (7.57, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.324, support = 5.85, residual support = 42.4:
        T HN    LEU   63 - HN    ASP-  62   2.57 +/- 0.10  99.957% * 98.0197% (0.32 10.00   5.85  42.42) = 100.000%  kept
        T HN    ILE   56 - HN    ASP-  62   9.73 +/- 0.58   0.037% *  1.2712% (0.42 10.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ASP-  62  13.50 +/- 1.45   0.006% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ASP-  62  22.09 +/- 0.67   0.000% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ASP-  62  28.92 +/- 1.13   0.000% *  0.2560% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.924, support = 0.02, residual support = 0.02:
          HN    PHE   45 - HN    LEU   73   7.49 +/- 0.38  98.790% * 48.0011% (0.92   0.02   0.02) =  98.691%  kept
          HN    ALA  110 - HN    LEU   73  16.11 +/- 1.50   1.210% * 51.9989% (1.00   0.02   0.02) =   1.309%  kept
    Distance limit 3.90 A violated in 20 structures by 3.58 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.4, support = 3.88, residual support = 20.7:
          HN    VAL   75 - HN    ASP-  76   4.26 +/- 0.09  73.633% * 48.6614% (0.28   4.64  27.25) =  72.797%  kept
          HN    ASP-  78 - HN    ASP-  76   5.07 +/- 0.18  26.362% * 50.7907% (0.73   1.85   3.10) =  27.203%  kept
          HN    LYS+ 112 - HN    ASP-  76  22.14 +/- 0.92   0.004% *  0.3382% (0.45   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ASP-  76  28.25 +/- 2.06   0.001% *  0.2097% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 5.34, residual support = 28.0:
        T HN    LYS+ 111 - HN    LYS+ 112   4.34 +/- 0.16  97.314% * 99.6886% (0.87 10.00   5.34  28.03) =  99.998%  kept
          HN    ILE   56 - HN    LYS+ 112   8.40 +/- 1.20   2.587% *  0.0559% (0.49  1.00   0.02   8.56) =   0.001%
          HN    LEU   63 - HN    LYS+ 112  14.08 +/- 1.15   0.093% *  0.0431% (0.38  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    LYS+ 112  22.67 +/- 0.68   0.005% *  0.0997% (0.87  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    LYS+ 112  35.89 +/- 1.27   0.000% *  0.1126% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1215 (7.30, 8.17, 116.99 ppm):
    5 chemical-shift based assignments, quality = 0.368, support = 0.0199, residual support = 0.0199:
          QD    PHE   55 - HN    GLN  116   7.79 +/- 0.76  83.246% * 11.5373% (0.28   0.02   0.02) =  72.045%  kept
          QD    PHE   60 - HN    GLN  116  11.05 +/- 0.85  12.469% * 26.8436% (0.65   0.02   0.02) =  25.107%  kept
          HN    LYS+  66 - HN    GLN  116  13.60 +/- 1.26   4.063% *  8.2119% (0.20   0.02   0.02) =   2.503%  kept
          HE3   TRP   27 - HN    GLN  116  22.63 +/- 1.07   0.164% * 14.1544% (0.34   0.02   0.02) =   0.174%
          HN    LYS+  81 - HN    GLN  116  26.44 +/- 0.89   0.058% * 39.2529% (0.95   0.02   0.02) =   0.171%
    Distance limit 4.21 A violated in 20 structures by 3.33 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.796, support = 6.04, residual support = 53.5:
      O   HA    ILE  119 - HN    ALA  120   3.61 +/- 0.02  81.476% * 85.9931% (0.80  10.0   6.12  55.40) =  96.504%  kept
          HA    THR  118 - HN    ALA  120   4.65 +/- 0.21  18.437% * 13.7663% (0.67   1.0   3.82   0.13) =   3.496%  kept
          HD3   PRO   58 - HN    ALA  120  12.04 +/- 0.85   0.064% *  0.0196% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA  120  15.14 +/- 1.31   0.019% *  0.0408% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  22.76 +/- 0.58   0.001% *  0.0601% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  120  25.11 +/- 1.48   0.001% *  0.0794% (0.74   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  120  22.15 +/- 0.61   0.002% *  0.0408% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (4.24, 7.43, 118.69 ppm):
    5 chemical-shift based assignments, quality = 0.921, support = 0.75, residual support = 6.39:
          HA    SER  117 - HN    ALA  120   3.56 +/- 0.23  99.828% * 95.2241% (0.92   0.75   6.39) =  99.998%  kept
          HA    ASP-  62 - HN    ALA  120  11.04 +/- 1.33   0.141% *  1.3390% (0.49   0.02   0.02) =   0.002%
          HA    ALA   57 - HN    ALA  120  14.06 +/- 0.80   0.029% *  1.0463% (0.38   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA  120  27.41 +/- 0.87   0.001% *  1.9449% (0.71   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA  120  22.18 +/- 1.15   0.002% *  0.4457% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (2.48, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.05, residual support = 115.2:
      O   HG3   GLN  116 - HE21  GLN  116   3.45 +/- 0.40  99.994% * 99.8198% (0.69  10.0   4.05 115.17) = 100.000%  kept
          HG3   MET   96 - HE21  GLN  116  19.26 +/- 1.52   0.004% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   87 - HE21  GLN  116  22.37 +/- 1.58   0.002% *  0.0881% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  32.92 +/- 2.76   0.000% *  0.0597% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 0.484, support = 2.58, residual support = 60.6:
          HG    LEU  115 - HE21  GLN  116   6.62 +/- 1.50  21.235% * 24.1975% (0.41   3.53 100.69) =  46.248%  kept
          QB    ALA  120 - HE21  GLN  116   4.34 +/- 1.44  71.740% *  6.1778% (0.41   0.90   0.38) =  39.890%  kept
          HB3   LEU  115 - HE21  GLN  116   8.39 +/- 1.20   2.260% * 67.7126% (0.95   4.30 100.69) =  13.774%  kept
          QG    LYS+  66 - HE21  GLN  116   9.07 +/- 1.87   3.735% *  0.2289% (0.69   0.02   0.02) =   0.077%
          QB    ALA   61 - HE21  GLN  116  11.51 +/- 1.95   0.520% *  0.1137% (0.34   0.02   0.02) =   0.005%
          QB    ALA  110 - HE21  GLN  116  11.88 +/- 1.41   0.360% *  0.0584% (0.18   0.02   0.02) =   0.002%
          HG    LEU   67 - HE21  GLN  116  14.60 +/- 1.99   0.057% *  0.2891% (0.87   0.02   0.02) =   0.001%
          HB3   LEU   67 - HE21  GLN  116  14.87 +/- 2.04   0.057% *  0.1622% (0.49   0.02   0.02) =   0.001%
          HG    LEU   40 - HE21  GLN  116  18.28 +/- 2.06   0.016% *  0.3153% (0.95   0.02   0.02) =   0.000%
          HG    LEU   73 - HE21  GLN  116  21.93 +/- 1.60   0.005% *  0.2891% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE21  GLN  116  19.38 +/- 2.14   0.012% *  0.0742% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE21  GLN  116  24.92 +/- 2.14   0.002% *  0.3153% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HE21  GLN  116  27.42 +/- 1.76   0.001% *  0.0660% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.396, support = 0.959, residual support = 0.539:
          HB    ILE  119 - HN    SER  117   5.37 +/- 0.36  32.067% * 52.7158% (0.20   1.61   0.94) =  52.265%  kept
          QB    GLU- 114 - HN    SER  117   4.81 +/- 0.19  59.867% * 25.3460% (0.61   0.25   0.10) =  46.915%  kept
          HB2   LYS+ 111 - HN    SER  117   7.07 +/- 1.11   7.953% *  3.3057% (1.00   0.02   0.02) =   0.813%  kept
          HB3   PRO   68 - HN    SER  117  18.60 +/- 2.65   0.031% *  2.7673% (0.84   0.02   0.02) =   0.003%
          HG2   PRO   68 - HN    SER  117  17.59 +/- 2.94   0.052% *  1.4853% (0.45   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    SER  117  21.31 +/- 1.08   0.008% *  3.3057% (1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    SER  117  22.55 +/- 1.09   0.006% *  3.3057% (1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    SER  117  22.56 +/- 0.71   0.006% *  1.7431% (0.53   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    SER  117  23.95 +/- 1.08   0.004% *  0.8261% (0.25   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    SER  117  26.98 +/- 0.93   0.002% *  1.4853% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    SER  117  31.65 +/- 1.05   0.001% *  3.0583% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    SER  117  25.04 +/- 0.93   0.003% *  0.6556% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1221 (1.46, 8.66, 115.11 ppm):
    10 chemical-shift based assignments, quality = 0.851, support = 2.09, residual support = 3.71:
          QB    ALA  120 - HN    SER  117   4.41 +/- 0.36  61.428% * 18.5926% (0.84   1.36   6.39) =  44.318%  kept
          HG    LEU  115 - HN    SER  117   5.35 +/- 0.91  27.782% * 34.6078% (0.84   2.52   1.57) =  37.308%  kept
          HB3   LEU  115 - HN    SER  117   5.97 +/- 0.28  10.406% * 45.5002% (0.92   3.00   1.57) =  18.372%  kept
          QG    LYS+  66 - HN    SER  117  11.39 +/- 1.28   0.254% *  0.0913% (0.28   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    SER  117  15.29 +/- 2.40   0.048% *  0.3219% (0.98   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    SER  117  16.89 +/- 1.14   0.021% *  0.3032% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    SER  117  18.48 +/- 1.17   0.012% *  0.1992% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    SER  117  15.64 +/- 1.59   0.037% *  0.0507% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    SER  117  21.58 +/- 1.68   0.006% *  0.1859% (0.57   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    SER  117  20.72 +/- 1.10   0.006% *  0.1472% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 0.996, support = 3.13, residual support = 18.1:
          HB2   PHE   97 - HN    LEU  104   3.38 +/- 0.35  94.845% * 84.8100% (1.00   3.15  18.22) =  99.281%  kept
          QE    LYS+ 106 - HN    LEU  104   6.58 +/- 1.00   4.132% * 14.0532% (0.76   0.68   0.02) =   0.717%  kept
          QE    LYS+  99 - HN    LEU  104   7.73 +/- 0.86   0.983% *  0.2024% (0.38   0.02  17.12) =   0.002%
          HB3   TRP   27 - HN    LEU  104  15.96 +/- 0.75   0.010% *  0.5346% (0.99   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    LEU  104  15.78 +/- 1.40   0.012% *  0.3054% (0.57   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU  104  14.52 +/- 1.37   0.018% *  0.0945% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 0.951, support = 5.51, residual support = 36.0:
          HG12  ILE  103 - HN    LEU  104   4.09 +/- 0.37  83.957% * 83.1309% (0.97   5.61  37.09) =  97.017%  kept
          QB    LYS+ 102 - HN    LEU  104   5.69 +/- 0.37  13.931% * 15.3597% (0.49   2.06   0.02) =   2.974%  kept
          HB    VAL   41 - HN    LEU  104   8.66 +/- 1.29   1.784% *  0.3070% (1.00   0.02   0.02) =   0.008%
          QB    LYS+  66 - HN    LEU  104  14.00 +/- 1.67   0.072% *  0.2904% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LEU  104  11.77 +/- 1.26   0.188% *  0.1047% (0.34   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU  104  16.20 +/- 1.16   0.025% *  0.2346% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU  104  16.53 +/- 0.78   0.021% *  0.2229% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU  104  17.16 +/- 1.05   0.018% *  0.1152% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  104  21.99 +/- 0.94   0.004% *  0.2346% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1224 (1.41, 8.62, 122.05 ppm):
    11 chemical-shift based assignments, quality = 0.607, support = 1.8, residual support = 30.6:
          QB    LEU   98 - HN    ILE  103   3.87 +/- 0.37  99.793% * 88.9875% (0.61   1.80  30.61) =  99.997%  kept
          HD3   LYS+ 121 - HN    ILE  103  12.46 +/- 1.61   0.129% *  1.4643% (0.90   0.02   0.02) =   0.002%
          QB    ALA  110 - HN    ILE  103  17.70 +/- 0.92   0.013% *  1.3074% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  103  16.77 +/- 2.03   0.021% *  0.6713% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  103  18.87 +/- 1.20   0.008% *  1.6005% (0.98   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  103  20.01 +/- 1.84   0.007% *  1.4163% (0.87   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  103  19.77 +/- 1.34   0.006% *  1.2478% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  103  20.46 +/- 0.85   0.005% *  1.4163% (0.87   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ILE  103  19.51 +/- 0.49   0.007% *  0.9244% (0.57   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE  103  19.01 +/- 1.28   0.009% *  0.4071% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ILE  103  24.92 +/- 1.85   0.002% *  0.5570% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.75, support = 5.2, residual support = 34.7:
          QD2   LEU  104 - HN    ILE  103   4.81 +/- 0.93  29.748% * 79.4447% (1.00   5.60  37.09) =  63.835%  kept
          QD1   LEU   98 - HN    ILE  103   3.79 +/- 0.74  67.705% * 19.7723% (0.31   4.51  30.61) =  36.160%  kept
          QG1   VAL   41 - HN    ILE  103   8.02 +/- 1.11   1.657% *  0.0562% (0.20   0.02   0.02) =   0.003%
          QG1   VAL   43 - HN    ILE  103   8.46 +/- 0.71   0.859% *  0.0969% (0.34   0.02   0.02) =   0.002%
          QD1   ILE   19 - HN    ILE  103  17.24 +/- 1.24   0.012% *  0.2741% (0.97   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    ILE  103  16.92 +/- 0.82   0.012% *  0.1608% (0.57   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    ILE  103  18.08 +/- 0.73   0.008% *  0.1951% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 6.89, residual support = 217.2:
          QD1   LEU  104 - HN    LEU  104   3.68 +/- 0.58  96.101% * 97.1265% (0.41   6.89 217.23) =  99.988%  kept
          QG2   VAL   41 - HN    LEU  104   7.29 +/- 0.73   2.546% *  0.1358% (0.20   0.02   0.02) =   0.004%
          QD2   LEU   63 - HN    LEU  104   9.22 +/- 1.07   0.617% *  0.4982% (0.73   0.02   0.02) =   0.003%
          QD1   LEU   63 - HN    LEU  104   9.67 +/- 1.08   0.429% *  0.6622% (0.97   0.02   0.02) =   0.003%
          QD1   LEU   73 - HN    LEU  104  11.24 +/- 0.74   0.172% *  0.6622% (0.97   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU  104  13.16 +/- 1.64   0.107% *  0.4713% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU  104  15.10 +/- 0.76   0.028% *  0.4439% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 0.641, support = 4.47, residual support = 18.3:
          QD1   LEU   98 - HN    ASP- 105   5.10 +/- 0.80  36.003% * 72.8598% (0.95   3.21   5.53) =  60.419%  kept
          QD2   LEU  104 - HN    ASP- 105   4.48 +/- 0.35  63.957% * 26.8685% (0.18   6.40  37.76) =  39.580%  kept
          QG2   ILE   19 - HN    ASP- 105  15.43 +/- 0.62   0.040% *  0.2716% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1228 (1.38, 8.97, 118.18 ppm):
    15 chemical-shift based assignments, quality = 0.897, support = 4.02, residual support = 135.8:
          HG3   LYS+ 106 - HN    LYS+ 106   2.85 +/- 0.46  93.424% * 95.5309% (0.90   4.02 135.84) =  99.992%  kept
          HD3   LYS+ 121 - HN    LYS+ 106   6.56 +/- 1.75   6.190% *  0.0929% (0.18   0.02   0.02) =   0.006%
          QB    LEU   98 - HN    LYS+ 106   9.27 +/- 0.33   0.114% *  0.2180% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 106  13.17 +/- 1.32   0.045% *  0.5256% (0.99   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 106  11.71 +/- 0.63   0.029% *  0.5291% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+ 106   9.44 +/- 0.92   0.127% *  0.1181% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+ 106  11.67 +/- 0.63   0.035% *  0.1809% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+ 106  14.54 +/- 0.72   0.010% *  0.5118% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 106  15.75 +/- 1.27   0.004% *  0.5291% (1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+ 106  14.48 +/- 0.52   0.009% *  0.1637% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 106  19.03 +/- 1.43   0.002% *  0.5291% (1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+ 106  14.79 +/- 0.71   0.007% *  0.0818% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 106  21.85 +/- 0.58   0.001% *  0.5198% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 106  18.40 +/- 0.66   0.002% *  0.1049% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 106  25.86 +/- 1.51   0.000% *  0.3643% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 2.85, residual support = 26.9:
          QG1   VAL  107 - HN    LYS+ 106   4.25 +/- 0.52  98.945% * 97.0535% (0.53   2.85  26.88) =  99.991%  kept
          HG    LEU   63 - HN    LYS+ 106  10.76 +/- 1.71   0.854% *  0.9388% (0.73   0.02   0.02) =   0.008%
          QG2   VAL   24 - HN    LYS+ 106  17.15 +/- 0.86   0.036% *  1.1214% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    LYS+ 106  15.00 +/- 0.98   0.057% *  0.3990% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LYS+ 106  15.38 +/- 1.11   0.068% *  0.1995% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    LYS+ 106  17.30 +/- 1.89   0.039% *  0.2878% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 1 structures by 0.09 A, kept.
 
    Peak 1230 (0.90, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.52, residual support = 62.1:
          QG1   VAL  108 - HN    VAL  108   3.61 +/- 0.04  99.859% * 99.4338% (0.98   4.52  62.13) = 100.000%  kept
          HB3   LEU   63 - HN    VAL  108  12.71 +/- 1.16   0.060% *  0.2360% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   40 - HN    VAL  108  12.86 +/- 0.57   0.051% *  0.2183% (0.49   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    VAL  108  14.69 +/- 2.05   0.030% *  0.1119% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (0.63, 7.72, 122.85 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 2.86, residual support = 7.76:
          QG2   ILE   89 - HN    ALA   91   3.42 +/- 0.45  95.938% * 97.5267% (1.00   2.87   7.77) =  99.920%  kept
          QG1   VAL   83 - HN    TRP   27   6.14 +/- 0.69   3.877% *  1.9132% (0.07   0.87   2.34) =   0.079%
          QG1   VAL   83 - HN    ALA   91  11.43 +/- 0.70   0.080% *  0.3580% (0.53   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    TRP   27  11.55 +/- 0.64   0.088% *  0.0841% (0.12   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  17.85 +/- 1.28   0.007% *  0.1050% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  16.67 +/- 1.27   0.010% *  0.0130% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.447, support = 5.31, residual support = 39.6:
          HG3   LYS+  99 - HN    GLU- 100   3.83 +/- 0.47  71.547% * 94.9792% (0.45   5.33  39.69) =  99.739%  kept
          QB    ALA   34 - HN    GLU- 100   4.92 +/- 0.65  20.458% *  0.5774% (0.73   0.02   0.02) =   0.173%
          QG2   THR   39 - HN    GLU- 100   6.28 +/- 0.68   4.400% *  0.7521% (0.95   0.02   0.02) =   0.049%
          HG3   LYS+  38 - HN    GLU- 100   6.99 +/- 1.17   3.246% *  0.7881% (0.99   0.02   0.02) =   0.038%
          HG    LEU   71 - HN    GLU- 100   9.64 +/- 0.91   0.307% *  0.2984% (0.38   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    GLU- 100  15.31 +/- 1.54   0.023% *  0.5144% (0.65   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU- 100  18.85 +/- 1.83   0.006% *  0.7131% (0.90   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    GLU- 100  20.89 +/- 1.08   0.003% *  0.7521% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    GLU- 100  18.35 +/- 0.67   0.006% *  0.2984% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    GLU- 100  19.11 +/- 1.04   0.005% *  0.3269% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1233 (1.37, 7.29, 121.74 ppm):
    15 chemical-shift based assignments, quality = 0.566, support = 0.987, residual support = 5.56:
          QB    ALA   84 - HN    LYS+  81   4.44 +/- 0.10  99.689% * 76.1182% (0.57   0.99   5.56) =  99.993%  kept
          HB3   LEU   73 - HN    LYS+  81  14.06 +/- 0.84   0.108% *  2.5147% (0.92   0.02   0.02) =   0.004%
          HB3   PRO   93 - HN    LYS+  81  16.71 +/- 0.82   0.037% *  1.6523% (0.61   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    LYS+  81  14.94 +/- 0.50   0.072% *  0.6065% (0.22   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  81  19.50 +/- 0.49   0.014% *  2.3630% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  81  20.81 +/- 0.96   0.010% *  2.7241% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  81  18.80 +/- 1.02   0.019% *  1.2213% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  81  21.93 +/- 1.87   0.008% *  2.1813% (0.80   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  81  18.07 +/- 0.87   0.024% *  0.5391% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  81  25.29 +/- 1.44   0.003% *  2.5769% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  81  25.77 +/- 1.64   0.003% *  2.3630% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  81  26.95 +/- 1.37   0.002% *  2.6702% (0.98   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  81  25.69 +/- 1.65   0.003% *  1.1199% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  81  21.98 +/- 0.95   0.007% *  0.4203% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  81  29.79 +/- 1.02   0.001% *  0.9292% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.37 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.87, residual support = 215.2:
          QD1   ILE   89 - HN    ILE   89   3.15 +/- 0.41  96.600% * 99.3825% (0.92   5.87 215.25) =  99.987%  kept
          QG2   VAL   83 - HN    ILE   89   5.77 +/- 0.38   3.367% *  0.3657% (1.00   0.02   0.02) =   0.013%
          QD2   LEU   31 - HN    ILE   89  12.38 +/- 0.57   0.033% *  0.2518% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.384, support = 3.58, residual support = 9.75:
          QB    ALA   88 - HN    ILE   89   3.51 +/- 0.40  49.491% * 56.9892% (0.34   4.48   7.09) =  60.206%  kept
          QB    ALA   84 - HN    ILE   89   3.68 +/- 0.63  50.178% * 37.1479% (0.45   2.22  13.77) =  39.790%  kept
          HB3   LEU   80 - HN    ILE   89   8.67 +/- 0.69   0.235% *  0.7304% (0.98   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HN    ILE   89  12.02 +/- 0.56   0.030% *  0.6224% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ILE   89  11.74 +/- 0.54   0.034% *  0.3063% (0.41   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ILE   89  13.44 +/- 1.08   0.017% *  0.4219% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ILE   89  15.68 +/- 1.31   0.006% *  0.7304% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ILE   89  16.72 +/- 0.63   0.004% *  0.7435% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ILE   89  18.07 +/- 0.83   0.003% *  0.6878% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ILE   89  21.59 +/- 0.76   0.001% *  0.5966% (0.80   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ILE   89  25.04 +/- 0.92   0.000% *  0.5118% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ILE   89  25.58 +/- 0.95   0.000% *  0.5118% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.648, support = 3.99, residual support = 34.7:
          QB    ALA   91 - HN    GLN   90   4.40 +/- 0.42  55.268% * 61.1495% (0.84   3.04  32.19) =  68.123%  kept
          HG12  ILE   89 - HN    GLN   90   4.62 +/- 0.40  43.946% * 35.9818% (0.25   6.00  40.21) =  31.873%  kept
          HG2   LYS+  74 - HN    GLN   90  12.14 +/- 1.54   0.203% *  0.4441% (0.92   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    GLN   90  10.34 +/- 1.70   0.479% *  0.1806% (0.38   0.02   0.02) =   0.002%
          HG3   LYS+ 111 - HN    GLN   90  13.75 +/- 1.71   0.069% *  0.0952% (0.20   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    GLN   90  20.33 +/- 1.23   0.006% *  0.4811% (1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    GLN   90  19.97 +/- 0.78   0.006% *  0.4018% (0.84   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    GLN   90  21.22 +/- 1.16   0.005% *  0.4314% (0.90   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    GLN   90  17.63 +/- 0.54   0.014% *  0.1071% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    GLN   90  23.48 +/- 0.82   0.002% *  0.4551% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    GLN   90  28.05 +/- 1.26   0.001% *  0.2724% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (2.15, 8.62, 127.39 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 5.59, residual support = 90.1:
      O   HB2   GLN   90 - HN    GLN   90   3.90 +/- 0.31  99.828% * 99.4917% (0.73  10.0   5.59  90.06) = 100.000%  kept
          HB3   GLU-  79 - HN    GLN   90  12.50 +/- 1.79   0.160% *  0.1343% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLN   90  22.20 +/- 1.15   0.004% *  0.1229% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  21.94 +/- 1.57   0.004% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLN   90  24.86 +/- 0.78   0.002% *  0.1367% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  24.62 +/- 0.84   0.002% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  28.37 +/- 0.55   0.001% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 0.864, support = 5.45, residual support = 39.8:
          QD2   LEU   73 - HN    PHE   72   3.63 +/- 0.76  83.594% * 96.2428% (0.87   5.47  39.98) =  99.581%  kept
          QG2   VAL   18 - HN    PHE   72   5.53 +/- 0.72  13.322% *  2.4795% (0.34   0.36   3.33) =   0.409%
          QG1   VAL   41 - HN    PHE   72   7.75 +/- 1.13   1.466% *  0.3099% (0.76   0.02   0.02) =   0.006%
          QG1   VAL   43 - HN    PHE   72   7.39 +/- 0.66   1.348% *  0.2296% (0.57   0.02   0.02) =   0.004%
          HG    LEU   31 - HN    PHE   72  11.51 +/- 0.95   0.121% *  0.3913% (0.97   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    PHE   72  11.51 +/- 0.69   0.110% *  0.1011% (0.25   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    PHE   72  14.09 +/- 0.97   0.040% *  0.2459% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 1 structures by 0.11 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.57, residual support = 39.2:
          QB    ALA   64 - HN    PHE   72   4.71 +/- 0.52  99.918% * 99.8637% (1.00   2.57  39.24) = 100.000%  kept
          QB    ALA   47 - HN    PHE   72  15.90 +/- 0.48   0.082% *  0.1363% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 4 structures by 0.32 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.707, support = 2.61, residual support = 8.69:
          HB    ILE   19 - HN    LYS+  74   4.50 +/- 0.37  97.316% * 95.9635% (0.71   2.61   8.69) =  99.987%  kept
          HB2   GLN   17 - HN    LYS+  74   8.96 +/- 0.38   1.862% *  0.4465% (0.43   0.02   0.02) =   0.009%
          QB    GLU-  15 - HN    LYS+  74  11.65 +/- 0.72   0.403% *  0.4465% (0.43   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    LYS+  74  12.61 +/- 0.44   0.230% *  0.5894% (0.57   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    LYS+  74  16.84 +/- 0.89   0.040% *  0.7215% (0.69   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    LYS+  74  18.29 +/- 1.35   0.027% *  0.7345% (0.71   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+  74  16.23 +/- 1.50   0.060% *  0.1835% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LYS+  74  17.96 +/- 0.84   0.028% *  0.2763% (0.27   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LYS+  74  18.51 +/- 1.03   0.024% *  0.2511% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LYS+  74  21.54 +/- 0.77   0.009% *  0.3873% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.372, support = 5.28, residual support = 38.8:
          QD1   LEU   73 - HN    LYS+  74   4.68 +/- 0.28  82.722% * 97.0485% (0.37   5.28  38.85) =  99.876%  kept
          QD2   LEU   80 - HN    LYS+  74   6.46 +/- 0.55  14.060% *  0.6261% (0.64   0.02   0.02) =   0.110%
          QG1   VAL   83 - HN    LYS+  74  10.10 +/- 1.15   1.102% *  0.5336% (0.54   0.02   0.02) =   0.007%
          QD1   LEU   63 - HN    LYS+  74  10.12 +/- 0.99   0.981% *  0.3673% (0.37   0.02   0.02) =   0.004%
          QG2   ILE   89 - HN    LYS+  74   9.99 +/- 0.47   0.950% *  0.1223% (0.12   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LYS+  74  14.87 +/- 1.24   0.096% *  0.6966% (0.71   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LYS+  74  15.31 +/- 1.65   0.089% *  0.6056% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.48 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.345, support = 4.57, residual support = 28.2:
          QG2   THR   77 - HN    ASP-  78   4.06 +/- 0.13  87.051% * 78.0345% (0.34   4.61  28.42) =  98.961%  kept
          HB3   LEU   80 - HN    ASP-  78   6.97 +/- 0.71   4.403% * 15.8709% (0.69   0.47   2.40) =   1.018%  kept
          QB    ALA   84 - HN    ASP-  78   6.07 +/- 0.33   8.268% *  0.1532% (0.15   0.02   0.02) =   0.018%
          QB    ALA   88 - HN    ASP-  78  12.44 +/- 0.50   0.109% *  0.7209% (0.73   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ASP-  78  12.06 +/- 0.51   0.136% *  0.4451% (0.45   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    ASP-  78  19.47 +/- 0.65   0.007% *  0.8293% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ASP-  78  18.66 +/- 0.89   0.010% *  0.5621% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  78  21.05 +/- 1.21   0.005% *  0.8904% (0.90   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  78  19.46 +/- 0.96   0.008% *  0.2210% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  78  26.74 +/- 0.70   0.001% *  0.9928% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  78  29.28 +/- 0.62   0.001% *  0.9732% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  78  27.69 +/- 1.04   0.001% *  0.3064% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 0.02, residual support = 0.02:
          QB    ALA   47 - HN    ASP-  78   6.17 +/- 0.92  98.911% * 32.6601% (0.92   0.02   0.02) =  98.848%  kept
          QG1   VAL   42 - HN    ASP-  78  13.86 +/- 0.29   1.029% * 34.6797% (0.98   0.02   0.02) =   1.092%  kept
          HG2   LYS+ 112 - HN    ASP-  78  22.60 +/- 1.81   0.060% * 32.6601% (0.92   0.02   0.02) =   0.060%
    Distance limit 4.43 A violated in 16 structures by 1.74 A, eliminated.
    Peak unassigned.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.592, support = 4.32, residual support = 25.0:
          HB    THR   77 - HN    ASP-  78   4.05 +/- 0.15  78.669% * 37.3767% (0.45   4.61  28.42) =  69.708%  kept
          HA    GLU-  79 - HN    ASP-  78   5.06 +/- 0.10  20.980% * 60.8990% (0.92   3.65  17.07) =  30.290%  kept
          HA1   GLY   51 - HN    ASP-  78  13.23 +/- 1.05   0.073% *  0.3610% (1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ASP-  78  11.99 +/- 0.41   0.121% *  0.1622% (0.45   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  78  12.12 +/- 0.21   0.112% *  0.1358% (0.38   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ASP-  78  14.66 +/- 0.97   0.039% *  0.3245% (0.90   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  78  22.14 +/- 0.60   0.003% *  0.2048% (0.57   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP-  78  26.09 +/- 0.40   0.001% *  0.3492% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ASP-  78  26.46 +/- 0.99   0.001% *  0.0634% (0.18   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  78  31.98 +/- 2.30   0.000% *  0.1234% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 4.57, residual support = 39.2:
      O   HA    ASP-  78 - HN    ASP-  78   2.80 +/- 0.04  99.418% * 99.8154% (1.00  10.0   4.57  39.16) = 100.000%  kept
          HA    LEU   80 - HN    ASP-  78   7.14 +/- 0.31   0.370% *  0.0486% (0.49   1.0   0.02   2.40) =   0.000%
          HA    THR   23 - HN    ASP-  78   8.51 +/- 0.64   0.141% *  0.0866% (0.87   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP-  78   9.67 +/- 0.95   0.072% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  22.90 +/- 0.52   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1248 (3.69, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.993, support = 8.08, residual support = 214.5:
      O   HA    ILE  119 - HN    ILE  119   2.83 +/- 0.01  77.339% * 50.7779% (1.00  10.0   8.73 256.71) =  80.794%  kept
      O   HA    THR  118 - HN    ILE  119   3.58 +/- 0.04  19.050% * 49.0042% (0.97  10.0   5.31  36.89) =  19.206%  kept
          HA    VAL   75 - HN    CYS   21   4.86 +/- 0.41   3.587% *  0.0028% (0.06   1.0   0.02   2.39) =   0.000%
          HA2   GLY  109 - HN    ILE  119  13.03 +/- 1.13   0.010% *  0.0369% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  12.70 +/- 0.39   0.010% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  20.32 +/- 0.63   0.001% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ILE  119  22.91 +/- 1.53   0.000% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  19.79 +/- 1.06   0.001% *  0.0159% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  19.69 +/- 0.89   0.001% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  21.27 +/- 0.85   0.000% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  19.89 +/- 0.58   0.001% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  21.28 +/- 0.92   0.000% *  0.0117% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.717, support = 5.47, residual support = 31.9:
          HB2   CYS   53 - HN    ARG+  54   3.24 +/- 0.22  91.568% * 83.7068% (0.72   5.50  32.22) =  98.819%  kept
          HD3   PRO   52 - HN    ARG+  54   5.13 +/- 0.12   6.148% * 14.8139% (0.26   2.68   1.76) =   1.174%  kept
          HD2   PRO   58 - HN    ARG+  54   7.08 +/- 0.89   1.187% *  0.3674% (0.87   0.02   0.02) =   0.006%
          HD2   PRO   58 - HN    ASP-  62   6.92 +/- 0.32   1.039% *  0.0687% (0.16   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    ASP-  62  11.90 +/- 1.10   0.048% *  0.0569% (0.14   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ARG+  54  21.47 +/- 0.93   0.001% *  0.3452% (0.82   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  17.04 +/- 0.75   0.005% *  0.0207% (0.05   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  22.46 +/- 0.85   0.001% *  0.0622% (0.15   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ARG+  54  29.77 +/- 1.23   0.000% *  0.3324% (0.79   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ARG+  54  26.65 +/- 1.22   0.000% *  0.1358% (0.32   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  23.63 +/- 0.83   0.001% *  0.0646% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  21.30 +/- 0.84   0.001% *  0.0254% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.944, support = 1.44, residual support = 3.38:
          QG2   VAL   18 - HN    ALA   61   5.87 +/- 0.81  83.825% * 94.0721% (0.95   1.45   3.39) =  99.787%  kept
          QG2   THR   46 - HN    ALA   61   8.83 +/- 1.29  11.214% *  1.1918% (0.87   0.02   0.02) =   0.169%
          QG1   VAL   43 - HN    ALA   61  12.53 +/- 0.74   0.995% *  1.3709% (1.00   0.02   0.02) =   0.017%
          QD2   LEU   73 - HN    ALA   61  10.93 +/- 0.75   2.344% *  0.3426% (0.25   0.02   0.02) =   0.010%
          QD1   ILE   19 - HN    ALA   61  12.54 +/- 1.04   1.089% *  0.7229% (0.53   0.02   0.02) =   0.010%
          QG1   VAL   41 - HN    ALA   61  15.63 +/- 0.90   0.286% *  1.2683% (0.92   0.02   0.02) =   0.005%
          QD2   LEU  104 - HN    ALA   61  16.84 +/- 0.83   0.188% *  0.5157% (0.38   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ALA   61  20.27 +/- 1.17   0.058% *  0.5157% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 14 structures by 1.38 A, kept.
 
    Peak 1251 (2.15, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 4.96, residual support = 51.6:
          QB    GLU-  36 - HN    ASN   35   4.06 +/- 0.09  95.723% * 98.3842% (0.92   4.96  51.61) =  99.992%  kept
          HB2   LYS+  38 - HN    ASN   35   7.11 +/- 0.25   3.474% *  0.1195% (0.28   0.02   0.02) =   0.004%
          HB3   GLU-  29 - HN    ASN   35   9.57 +/- 0.41   0.578% *  0.4260% (0.99   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    ASN   35  11.31 +/- 0.46   0.219% *  0.3121% (0.73   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    ASN   35  21.80 +/- 0.89   0.004% *  0.3728% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   35  26.98 +/- 0.68   0.001% *  0.3854% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.70 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 = 43.4:
      O   QB    MET   11 - HN    MET   11   3.09 +/- 0.32  99.850% * 99.3665% (0.69  10.0   3.00  43.35) = 100.000%  kept
          QG    GLU-  14 - HN    MET   11  10.10 +/- 1.06   0.109% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   11  13.12 +/- 1.78   0.035% *  0.0361% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    MET   11  18.74 +/- 3.90   0.006% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    MET   11  30.00 +/- 2.13   0.000% *  0.1050% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    MET   11  27.38 +/- 2.77   0.000% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  26.85 +/- 1.80   0.000% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  35.08 +/- 1.98   0.000% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  39.25 +/- 2.44   0.000% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  39.11 +/- 2.59   0.000% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 43.4:
          HG2   MET   11 - HN    MET   11   3.76 +/- 0.72  99.713% * 97.3782% (0.92   3.31  43.35) =  99.998%  kept
          HB2   GLU-  14 - HN    MET   11  11.25 +/- 1.56   0.266% *  0.6025% (0.95   0.02   0.02) =   0.002%
          HB2   PRO   68 - HN    MET   11  20.39 +/- 3.56   0.009% *  0.3100% (0.49   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    MET   11  19.42 +/- 2.80   0.011% *  0.1771% (0.28   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    MET   11  33.85 +/- 2.35   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    MET   11  29.44 +/- 2.31   0.001% *  0.1418% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    MET   11  39.40 +/- 2.77   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    MET   11  34.61 +/- 1.85   0.000% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 43.4:
          HG3   MET   11 - HN    MET   11   3.02 +/- 0.55  99.911% * 98.0255% (0.92   3.31  43.35) = 100.000%  kept
          HB3   GLU-  14 - HN    MET   11  11.65 +/- 1.21   0.083% *  0.4900% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   11  21.42 +/- 2.39   0.002% *  0.2187% (0.34   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   11  22.93 +/- 3.85   0.002% *  0.1269% (0.20   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    MET   11  24.17 +/- 3.10   0.001% *  0.0989% (0.15   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    MET   11  31.01 +/- 2.20   0.000% *  0.2875% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   11  32.01 +/- 2.68   0.000% *  0.4404% (0.69   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    MET   11  39.00 +/- 2.51   0.000% *  0.3121% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1255 (1.55, 8.48, 122.27 ppm):
    7 chemical-shift based assignments, quality = 0.95, support = 0.0199, residual support = 0.0199:
          HG2   LYS+  33 - HN    MET   11  17.86 +/- 2.90  80.336% * 22.9200% (1.00   0.02   0.02) =  88.149%  kept
          HD3   LYS+  74 - HN    MET   11  26.46 +/- 1.78   9.328% * 12.0587% (0.53   0.02   0.02) =   5.385%  kept
          QG    LYS+  81 - HN    MET   11  31.47 +/- 1.99   3.076% * 19.1444% (0.84   0.02   0.02) =   2.819%  kept
          HG    LEU  104 - HN    MET   11  30.91 +/- 2.74   3.153% *  8.6021% (0.38   0.02   0.02) =   1.299%  kept
          HG2   LYS+ 106 - HN    MET   11  35.81 +/- 2.58   1.327% * 17.5161% (0.76   0.02   0.02) =   1.113%  kept
          HB3   LYS+ 121 - HN    MET   11  34.10 +/- 2.48   2.042% *  8.6021% (0.38   0.02   0.02) =   0.841%  kept
          HB3   LYS+ 111 - HN    MET   11  40.11 +/- 1.60   0.738% * 11.1564% (0.49   0.02   0.02) =   0.394%
    Distance limit 4.21 A violated in 20 structures by 12.95 A, eliminated.
    Peak unassigned.
 
    Peak 1256 (2.08, 8.37, 125.10 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 3.6, residual support = 12.2:
          HG2   MET   11 - HN    ALA   12   4.15 +/- 0.19  97.687% * 97.8481% (0.72   3.60  12.19) =  99.987%  kept
          HB2   GLU-  14 - HN    ALA   12   8.44 +/- 1.32   2.269% *  0.5425% (0.72   0.02   0.02) =   0.013%
          HB2   PRO   68 - HN    ALA   12  16.88 +/- 3.24   0.042% *  0.1512% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    ALA   12  30.55 +/- 2.03   0.001% *  0.5329% (0.71   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    ALA   12  36.44 +/- 2.27   0.000% *  0.5329% (0.71   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA   12  31.43 +/- 1.10   0.001% *  0.2235% (0.30   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA   12  35.03 +/- 2.50   0.000% *  0.0952% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  34.38 +/- 1.29   0.000% *  0.0736% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1257 (1.39, 8.37, 125.10 ppm):
    13 chemical-shift based assignments, quality = 0.681, support = 2.3, residual support = 12.3:
      O   QB    ALA   12 - HN    ALA   12   2.75 +/- 0.22  99.989% * 99.1918% (0.68  10.0   2.30  12.31) = 100.000%  kept
          HG3   LYS+  33 - HN    ALA   12  15.74 +/- 2.82   0.008% *  0.0992% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   12  20.28 +/- 2.33   0.001% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   12  20.16 +/- 1.49   0.001% *  0.0876% (0.60   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  20.51 +/- 1.64   0.001% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  22.89 +/- 1.94   0.000% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  21.43 +/- 1.48   0.001% *  0.0470% (0.32   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  30.68 +/- 2.30   0.000% *  0.0840% (0.58   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  31.61 +/- 1.99   0.000% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  30.28 +/- 3.33   0.000% *  0.0431% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  28.22 +/- 1.74   0.000% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  37.48 +/- 2.24   0.000% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  31.34 +/- 1.16   0.000% *  0.0142% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 5.18:
          QB    ALA   12 - HN    SER   13   2.57 +/- 0.46  99.978% * 91.5358% (0.95   1.76   5.18) = 100.000%  kept
          HG3   LYS+  33 - HN    SER   13  14.38 +/- 1.99   0.012% *  1.0389% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   13  17.06 +/- 2.15   0.003% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   13  17.71 +/- 1.47   0.003% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   13  17.50 +/- 1.08   0.002% *  0.9173% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    SER   13  18.55 +/- 1.30   0.002% *  0.4924% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    SER   13  20.92 +/- 1.55   0.001% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   13  28.84 +/- 1.76   0.000% *  0.8794% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    SER   13  25.95 +/- 1.53   0.000% *  0.3053% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   13  28.98 +/- 1.70   0.000% *  0.6661% (0.61   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    SER   13  27.65 +/- 3.35   0.000% *  0.4515% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   13  34.42 +/- 2.11   0.000% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    SER   13  28.26 +/- 1.12   0.000% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 2.47, residual support = 6.67:
          QB    SER   13 - HN    GLU-  14   2.90 +/- 0.55  99.731% * 95.5741% (0.45   2.47   6.67) =  99.997%  kept
          HB3   SER   37 - HN    GLU-  14  11.55 +/- 2.08   0.152% *  1.0001% (0.58   0.02   0.02) =   0.002%
          HB    THR   39 - HN    GLU-  14  11.46 +/- 2.00   0.115% *  0.8225% (0.48   0.02   0.02) =   0.001%
          HB    THR  118 - HN    GLU-  14  24.76 +/- 1.39   0.000% *  1.1947% (0.70   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLU-  14  27.87 +/- 1.23   0.000% *  1.0001% (0.58   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLU-  14  27.94 +/- 2.05   0.000% *  0.4084% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 0.519, support = 3.66, residual support = 42.6:
          QG    GLU-  14 - HN    GLU-  14   3.62 +/- 0.70  71.610% * 71.7034% (0.53   3.92  48.38) =  87.840%  kept
          QG    GLU-  15 - HN    GLU-  14   4.65 +/- 0.83  27.550% * 25.7962% (0.42   1.78   1.00) =  12.158%  kept
          QB    MET   11 - HN    GLU-  14   8.35 +/- 0.62   0.731% *  0.0946% (0.14   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    GLU-  14  11.94 +/- 1.16   0.084% *  0.3994% (0.58   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    GLU-  14  16.05 +/- 1.51   0.013% *  0.3472% (0.51   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  14  17.36 +/- 1.02   0.008% *  0.3472% (0.51   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  14  22.85 +/- 1.29   0.002% *  0.4739% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  14  26.43 +/- 1.76   0.001% *  0.4288% (0.62   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  14  23.94 +/- 1.55   0.001% *  0.1192% (0.17   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  14  30.46 +/- 1.68   0.000% *  0.2900% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1261 (2.08, 8.32, 122.30 ppm):
    8 chemical-shift based assignments, quality = 0.695, support = 3.83, residual support = 48.4:
      O   HB2   GLU-  14 - HN    GLU-  14   3.18 +/- 0.51  99.628% * 99.6047% (0.70  10.0   3.83  48.38) = 100.000%  kept
          HG2   MET   11 - HN    GLU-  14   9.63 +/- 1.01   0.238% *  0.0998% (0.70   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU-  14  11.89 +/- 2.97   0.132% *  0.0278% (0.19   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU-  14  24.74 +/- 1.32   0.001% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  25.14 +/- 1.01   0.001% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  30.39 +/- 1.64   0.000% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  29.33 +/- 1.86   0.000% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  28.15 +/- 1.19   0.000% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1262 (1.93, 8.32, 122.30 ppm):
    5 chemical-shift based assignments, quality = 0.625, support = 3.87, residual support = 48.4:
      O   HB3   GLU-  14 - HN    GLU-  14   3.19 +/- 0.32  99.685% * 99.6986% (0.62  10.0   3.87  48.38) = 100.000%  kept
          HG3   MET   11 - HN    GLU-  14   9.46 +/- 1.08   0.302% *  0.0807% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    GLU-  14  15.65 +/- 1.97   0.012% *  0.0850% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    GLU-  14  21.75 +/- 1.33   0.001% *  0.1109% (0.70   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    GLU-  14  29.33 +/- 1.75   0.000% *  0.0247% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1263 (2.20, 7.69, 115.83 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.5, residual support = 84.4:
          QG    GLN   17 - HN    GLN   17   2.77 +/- 0.54  99.608% * 98.8145% (1.00   5.50  84.43) =  99.999%  kept
          HB    VAL   70 - HN    GLN   17   8.38 +/- 0.97   0.378% *  0.3528% (0.98   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    GLN   17  15.92 +/- 1.03   0.006% *  0.2328% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    GLN   17  19.53 +/- 0.45   0.001% *  0.3567% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   17  17.89 +/- 1.08   0.003% *  0.1001% (0.28   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLN   17  18.13 +/- 1.58   0.002% *  0.0801% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    GLN   17  17.92 +/- 0.95   0.002% *  0.0630% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.02, residual support = 80.9:
      O   HB2   GLN   17 - HN    GLN   17   3.85 +/- 0.10  62.393% * 91.6406% (0.92  10.0   5.17  84.43) =  95.793%  kept
          QB    GLU-  15 - HN    GLN   17   4.32 +/- 0.25  31.909% *  7.8582% (0.92   1.0   1.72   0.02) =   4.201%  kept
          HB    ILE   19 - HN    GLN   17   6.73 +/- 0.72   2.562% *  0.0795% (0.80   1.0   0.02   0.02) =   0.003%
          HB3   PRO   68 - HN    GLN   17   8.58 +/- 2.82   2.687% *  0.0562% (0.57   1.0   0.02   0.02) =   0.003%
          HG2   PRO   68 - HN    GLN   17   9.92 +/- 1.77   0.383% *  0.0721% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLN   17  12.38 +/- 0.73   0.058% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN   17  20.18 +/- 0.48   0.003% *  0.0991% (1.00   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLN   17  20.49 +/- 1.42   0.003% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  24.41 +/- 0.92   0.001% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 5.17, residual support = 84.4:
      O   HB3   GLN   17 - HN    GLN   17   3.14 +/- 0.31  98.960% * 99.6298% (0.98  10.0   5.17  84.43) =  99.999%  kept
          QB    LYS+  65 - HN    GLN   17   7.87 +/- 1.12   0.633% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    GLN   17   8.98 +/- 1.07   0.261% *  0.0777% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    GLN   17   9.99 +/- 0.95   0.126% *  0.0178% (0.18   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   17  14.62 +/- 0.77   0.011% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   17  17.18 +/- 1.35   0.005% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    GLN   17  20.07 +/- 1.14   0.002% *  0.0616% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  20.36 +/- 0.79   0.002% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  22.84 +/- 0.61   0.001% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1266 (2.01, 8.66, 110.73 ppm):
    12 chemical-shift based assignments, quality = 0.975, support = 1.95, residual support = 6.14:
          QB    GLU-  15 - HN    GLY   16   2.51 +/- 0.33  95.149% * 39.2349% (0.98   1.94   6.05) =  99.142%  kept
          HB2   GLN   17 - HN    GLY   16   6.17 +/- 0.09   0.528% * 58.5746% (0.98   2.90  16.50) =   0.822%  kept
          HB3   PRO   68 - HN    GLY   16   7.02 +/- 2.70   3.994% *  0.3235% (0.78   0.02   0.02) =   0.034%
          HG2   PRO   68 - HN    GLY   16   8.40 +/- 1.77   0.178% *  0.1967% (0.47   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    GLY   16   7.87 +/- 0.83   0.133% *  0.2287% (0.55   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    GLY   16  12.84 +/- 1.00   0.007% *  0.1661% (0.40   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLY   16  12.66 +/- 1.62   0.009% *  0.0708% (0.17   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLY   16  21.26 +/- 0.73   0.000% *  0.3822% (0.92   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLY   16  20.70 +/- 1.45   0.000% *  0.2614% (0.63   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLY   16  16.97 +/- 1.27   0.001% *  0.0708% (0.17   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLY   16  18.10 +/- 1.55   0.001% *  0.0899% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLY   16  24.88 +/- 1.22   0.000% *  0.4004% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 50.1:
          QG    GLN   17 - HN    VAL   18   3.71 +/- 0.24  99.756% * 98.7511% (0.70   5.81  50.10) =  99.999%  kept
          HB    VAL   70 - HN    VAL   18  10.75 +/- 1.07   0.204% *  0.3028% (0.62   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    VAL   18  18.30 +/- 0.31   0.007% *  0.3910% (0.81   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   18  15.31 +/- 1.01   0.022% *  0.1167% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   18  21.03 +/- 0.73   0.003% *  0.3216% (0.66   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   18  18.63 +/- 0.89   0.007% *  0.1167% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 76.6:
      O   HB    VAL   18 - HN    VAL   18   2.25 +/- 0.39  99.613% * 99.4605% (0.70  10.0   4.99  76.63) = 100.000%  kept
          HB    ILE   19 - HN    VAL   18   6.53 +/- 0.34   0.305% *  0.0305% (0.21   1.0   0.02  22.72) =   0.000%
          HB2   LEU   67 - HN    VAL   18   9.59 +/- 1.17   0.067% *  0.1296% (0.91   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    VAL   18  12.75 +/- 1.61   0.011% *  0.0381% (0.27   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    VAL   18  15.25 +/- 1.16   0.002% *  0.1264% (0.89   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    VAL   18  18.51 +/- 1.34   0.001% *  0.1296% (0.91   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    VAL   18  18.61 +/- 1.42   0.001% *  0.0614% (0.43   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  19.27 +/- 1.53   0.001% *  0.0240% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 5.47, residual support = 50.1:
          HB3   GLN   17 - HN    VAL   18   3.62 +/- 0.16  98.215% * 93.7814% (0.33   5.47  50.10) =  99.983%  kept
          QB    LYS+  65 - HN    VAL   18   7.89 +/- 1.18   1.413% *  0.9012% (0.87   0.02   0.02) =   0.014%
          HB2   LEU   71 - HN    VAL   18  10.79 +/- 0.72   0.165% *  0.8717% (0.84   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    VAL   18  10.83 +/- 0.99   0.162% *  0.8394% (0.81   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    VAL   18  15.02 +/- 1.02   0.021% *  0.6501% (0.62   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   18  17.62 +/- 1.00   0.008% *  0.9960% (0.96   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   18  21.19 +/- 1.10   0.003% *  0.9698% (0.93   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    VAL   18  19.70 +/- 1.00   0.004% *  0.4892% (0.47   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   18  18.90 +/- 1.26   0.006% *  0.2506% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   18  20.74 +/- 1.17   0.003% *  0.2506% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 0.907, support = 5.26, residual support = 75.9:
          QG2   VAL   18 - HN    VAL   18   2.78 +/- 0.57  95.760% * 72.4362% (0.91   5.28  76.63) =  98.655%  kept
          QD1   ILE   19 - HN    VAL   18   6.05 +/- 0.99   3.569% * 26.4654% (0.51   3.47  22.72) =   1.344%  kept
          QD2   LEU   73 - HN    VAL   18   7.22 +/- 0.57   0.532% *  0.0723% (0.24   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    VAL   18   9.64 +/- 0.76   0.088% *  0.2515% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    VAL   18  11.33 +/- 0.63   0.033% *  0.2893% (0.96   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    VAL   18  13.11 +/- 0.94   0.013% *  0.2676% (0.89   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   18  16.46 +/- 0.92   0.003% *  0.1088% (0.36   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   18  17.73 +/- 1.00   0.002% *  0.1088% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 8.55:
          QB    ALA   64 - HN    VAL   18   4.12 +/- 0.76  99.932% * 99.8615% (0.84   2.25   8.55) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   18  14.66 +/- 1.67   0.068% *  0.1385% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 1 structures by 0.27 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.435, support = 4.12, residual support = 20.1:
          HN    PHE   59 - HN    PHE   60   2.72 +/- 0.12  88.203% * 63.7653% (0.44   4.18  20.24) =  96.844%  kept
          QE    PHE   59 - HN    THR  118   4.80 +/- 1.01   6.162% * 14.9036% (0.16   2.70  10.66) =   1.581%  kept
          QE    PHE   59 - HN    PHE   60   5.15 +/- 1.15   5.062% * 18.0496% (0.28   1.84  20.24) =   1.573%  kept
          HN    HIS  122 - HN    THR  118   6.67 +/- 0.17   0.410% *  0.1460% (0.21   0.02   2.94) =   0.001%
          HN    PHE   59 - HN    THR  118  10.07 +/- 0.87   0.042% *  0.1725% (0.25   0.02  10.66) =   0.000%
          HN    LYS+  66 - HN    PHE   60   8.70 +/- 0.22   0.084% *  0.0565% (0.08   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    PHE   60  12.25 +/- 0.78   0.012% *  0.2583% (0.37   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    GLU-  15  12.47 +/- 1.00   0.011% *  0.1211% (0.18   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    GLU-  15  18.01 +/- 1.34   0.001% *  0.4193% (0.61   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    GLU-  15  19.64 +/- 0.95   0.001% *  0.6539% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    THR  118  12.87 +/- 1.41   0.010% *  0.0319% (0.05   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    GLU-  15  20.29 +/- 1.07   0.001% *  0.5535% (0.80   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    PHE   60  19.65 +/- 1.20   0.001% *  0.2343% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    GLU-  15  22.47 +/- 1.64   0.000% *  0.5019% (0.73   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    THR  118  19.50 +/- 2.13   0.001% *  0.1324% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 5.19, residual support = 41.9:
          HN    ALA   61 - HN    PHE   60   2.73 +/- 0.11  99.962% * 94.9406% (0.47   5.19  41.93) = 100.000%  kept
          HN    ALA   61 - HN    GLU-  15  15.50 +/- 0.94   0.003% *  0.7847% (1.00   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR  118  12.54 +/- 0.79   0.012% *  0.2069% (0.26   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    PHE   60  15.30 +/- 0.93   0.004% *  0.3630% (0.46   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLU-  15  16.99 +/- 0.82   0.002% *  0.5997% (0.76   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLU-  15  14.01 +/- 1.21   0.006% *  0.1553% (0.20   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR  118  16.79 +/- 1.66   0.002% *  0.2051% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    PHE   60  18.55 +/- 0.97   0.001% *  0.3177% (0.40   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR  118  17.39 +/- 1.20   0.002% *  0.1795% (0.23   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    PHE   60  20.03 +/- 0.76   0.001% *  0.2799% (0.36   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLU-  15  24.43 +/- 1.10   0.000% *  0.6806% (0.87   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    PHE   60  16.71 +/- 0.75   0.002% *  0.0641% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLU-  15  27.39 +/- 0.98   0.000% *  0.7777% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  18.12 +/- 0.88   0.001% *  0.0362% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLU-  15  23.34 +/- 0.84   0.000% *  0.1374% (0.18   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    THR  118  24.57 +/- 0.71   0.000% *  0.1582% (0.20   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  22.10 +/- 1.05   0.000% *  0.0725% (0.09   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  22.55 +/- 1.01   0.000% *  0.0410% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 4.94, residual support = 71.9:
      O   HB3   PHE   60 - HN    PHE   60   2.89 +/- 0.32  99.532% * 98.9222% (0.47  10.0   4.94  71.95) = 100.000%  kept
          QE    LYS+ 106 - HN    THR  118   9.06 +/- 1.61   0.280% *  0.0529% (0.25   1.0   0.02   2.94) =   0.000%
          HB2   PHE   97 - HN    THR  118   9.33 +/- 0.86   0.114% *  0.0294% (0.14   1.0   0.02   1.71) =   0.000%
          HB3   PHE   60 - HN    THR  118  11.57 +/- 1.05   0.036% *  0.0559% (0.26   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    PHE   60  13.86 +/- 1.14   0.011% *  0.0936% (0.44   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    GLU-  15  16.40 +/- 0.88   0.004% *  0.2120% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    PHE   60  13.25 +/- 0.69   0.013% *  0.0520% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    GLU-  15  16.42 +/- 0.92   0.004% *  0.1032% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    GLU-  15  19.68 +/- 1.10   0.001% *  0.1115% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   60  17.54 +/- 0.97   0.002% *  0.0482% (0.23   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    GLU-  15  22.79 +/- 1.10   0.001% *  0.2005% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  15  19.04 +/- 1.27   0.002% *  0.0529% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  21.71 +/- 0.86   0.001% *  0.0272% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  25.80 +/- 1.47   0.000% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  25.98 +/- 1.34   0.000% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1275 (3.15, 8.20, 120.98 ppm):
    6 chemical-shift based assignments, quality = 0.39, support = 4.01, residual support = 20.2:
          HB3   PHE   59 - HN    PHE   60   3.44 +/- 0.46  98.477% * 96.9703% (0.39   4.01  20.24) =  99.996%  kept
          HB3   PHE   59 - HN    THR  118   7.86 +/- 0.89   1.481% *  0.2734% (0.22   0.02  10.66) =   0.004%
          HB3   TRP   49 - HN    PHE   60  16.64 +/- 1.97   0.037% *  0.4638% (0.37   0.02   0.02) =   0.000%
          HB3   PHE   59 - HN    GLU-  15  20.13 +/- 1.06   0.003% *  1.0366% (0.84   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    THR  118  23.18 +/- 1.96   0.002% *  0.2621% (0.21   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    GLU-  15  28.42 +/- 1.67   0.000% *  0.9938% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.10 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 = 2.83, residual support = 5.12:
        T HN    SER  117 - HN    THR  118   2.74 +/- 0.14  99.972% * 97.7507% (0.17 10.00   2.83   5.12) = 100.000%  kept
        T HN    SER  117 - HN    PHE   60  11.30 +/- 0.44   0.022% *  1.7701% (0.30 10.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    PHE   60  14.41 +/- 0.64   0.005% *  0.1969% (0.34  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    THR  118  19.59 +/- 0.94   0.001% *  0.1088% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    PHE   60  22.33 +/- 0.77   0.000% *  0.1117% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  26.03 +/- 0.76   0.000% *  0.0617% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 4.3, residual support = 36.4:
          QG2   THR  118 - HN    THR  118   3.58 +/- 0.14  97.842% * 99.1654% (0.13   4.30  36.38) =  99.981%  kept
          QG2   THR  118 - HN    PHE   60   7.48 +/- 1.08   2.158% *  0.8346% (0.23   0.02   0.02) =   0.019%
    Distance limit 3.97 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 = 0.129, support = 4.2, residual support = 52.3:
      O   HB    THR  118 - HN    THR  118   2.15 +/- 0.11  68.654% * 18.8469% (0.05  10.0   3.59  36.38) =  53.097%  kept
      O   HA    PHE   60 - HN    PHE   60   2.81 +/- 0.03  14.035% * 79.4080% (0.22  10.0   4.94  71.95) =  45.734%  kept
          QB    SER  117 - HN    THR  118   2.75 +/- 0.28  17.284% *  1.6481% (0.03   1.0   3.15   5.12) =   1.169%  kept
          HB    THR  118 - HN    PHE   60   9.07 +/- 1.07   0.016% *  0.0341% (0.09   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    THR  118   9.95 +/- 0.89   0.009% *  0.0439% (0.12   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.66 +/- 0.57   0.003% *  0.0189% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (3.69, 8.17, 120.70 ppm):
    14 chemical-shift based assignments, quality = 0.144, support = 3.63, residual support = 36.4:
      O   HA    THR  118 - HN    THR  118   2.83 +/- 0.04  86.977% * 74.8299% (0.14  10.0   3.61  36.38) =  99.117%  kept
          HA    ILE  119 - HN    THR  118   5.18 +/- 0.14   2.383% * 24.1927% (0.17   1.0   5.51  36.89) =   0.878%  kept
          HD3   PRO   58 - HN    PHE   60   4.08 +/- 0.26  10.433% *  0.0311% (0.06   1.0   0.02   0.02) =   0.005%
          HA    ILE  119 - HN    PHE   60   8.83 +/- 0.80   0.108% *  0.1590% (0.30   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    PHE   60  11.46 +/- 1.06   0.024% *  0.1355% (0.26   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    THR  118  11.50 +/- 1.26   0.030% *  0.0439% (0.08   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    PHE   60  13.08 +/- 0.93   0.010% *  0.0795% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    PHE   60  16.16 +/- 1.67   0.005% *  0.1481% (0.28   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    THR  118  11.53 +/- 0.84   0.021% *  0.0171% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    PHE   60  14.39 +/- 0.78   0.005% *  0.0665% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    PHE   60  17.47 +/- 0.76   0.002% *  0.1147% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  19.78 +/- 0.75   0.001% *  0.0633% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    THR  118  22.81 +/- 1.65   0.000% *  0.0818% (0.16   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  20.39 +/- 0.59   0.001% *  0.0367% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (4.35, 8.18, 120.93 ppm):
    18 chemical-shift based assignments, quality = 0.989, support = 4.0, residual support = 20.2:
      O   HA    PHE   59 - HN    PHE   60   3.58 +/- 0.04  81.148% * 99.4803% (0.99  10.0   4.00  20.24) =  99.995%  kept
          HA    ILE   56 - HN    PHE   60   4.99 +/- 0.80  16.065% *  0.0154% (0.15   1.0   0.02   2.34) =   0.003%
          HA    ASP- 113 - HN    THR  118   6.71 +/- 0.50   2.073% *  0.0487% (0.48   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    THR  118   8.80 +/- 1.05   0.489% *  0.0802% (0.80   1.0   0.02  10.66) =   0.000%
          HA    ASP- 113 - HN    PHE   60  12.64 +/- 0.76   0.045% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    THR  118  10.62 +/- 1.02   0.139% *  0.0124% (0.12   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  18.09 +/- 0.84   0.005% *  0.0487% (0.48   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    PHE   60  19.11 +/- 0.97   0.004% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    THR  118  16.45 +/- 1.02   0.009% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  18.50 +/- 0.85   0.005% *  0.0396% (0.39   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   60  18.82 +/- 1.10   0.004% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU-  15  17.68 +/- 0.98   0.006% *  0.0110% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  18.15 +/- 1.19   0.005% *  0.0069% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  24.96 +/- 1.10   0.001% *  0.0175% (0.17   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  26.45 +/- 0.89   0.001% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  24.68 +/- 1.23   0.001% *  0.0141% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  22.38 +/- 1.10   0.001% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  28.42 +/- 1.05   0.000% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.57 A, kept.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.918, support = 4.82, residual support = 67.6:
      O   HA    PHE   60 - HN    PHE   60   2.81 +/- 0.03  46.016% * 94.1560% (0.96  10.0   4.94  71.95) =  93.560%  kept
          QB    SER  117 - HN    THR  118   2.75 +/- 0.28  53.684% *  5.5550% (0.36   1.0   3.15   5.12) =   6.440%  kept
          HA    LYS+ 121 - HN    THR  118   6.84 +/- 0.39   0.240% *  0.0138% (0.14   1.0   0.02   8.08) =   0.000%
          HA    PHE   60 - HN    THR  118   9.95 +/- 0.89   0.029% *  0.0759% (0.77   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.66 +/- 0.57   0.009% *  0.0437% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  11.57 +/- 0.65   0.010% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   60  13.56 +/- 0.79   0.004% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  15.94 +/- 0.79   0.001% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  13.54 +/- 0.60   0.004% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  14.83 +/- 0.87   0.002% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  19.94 +/- 1.18   0.000% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  23.58 +/- 0.91   0.000% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  23.30 +/- 1.36   0.000% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  22.25 +/- 0.90   0.000% *  0.0053% (0.05   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  27.94 +/- 1.26   0.000% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 0.5, support = 3.4, residual support = 19.0:
          HG12  ILE  119 - HN    THR  118   4.23 +/- 0.36  13.747% * 65.3263% (0.72   4.86  36.89) =  42.399%  kept
          QG    GLU-  14 - HN    GLU-  15   3.58 +/- 0.77  39.310% * 16.0770% (0.36   2.36   1.00) =  29.837%  kept
          QG    GLU-  15 - HN    GLU-  15   3.46 +/- 0.63  43.600% * 13.4771% (0.32   2.28  10.97) =  27.741%  kept
          HG12  ILE  119 - HN    PHE   60   7.07 +/- 0.62   0.601% *  0.3335% (0.89   0.02   0.02) =   0.009%
          HB2   ASP-  44 - HN    PHE   60   8.15 +/- 0.88   0.357% *  0.3335% (0.89   0.02   0.59) =   0.006%
          HB2   ASP- 105 - HN    THR  118   6.06 +/- 0.88   2.012% *  0.0406% (0.11   0.02   4.96) =   0.004%
          HB3   PHE   72 - HN    PHE   60  10.02 +/- 0.83   0.090% *  0.3588% (0.96   0.02   9.47) =   0.002%
          HB3   PHE   72 - HN    GLU-  15   9.33 +/- 0.87   0.146% *  0.1427% (0.38   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    PHE   60  13.20 +/- 1.27   0.020% *  0.1529% (0.41   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    THR  118  13.87 +/- 0.70   0.010% *  0.2687% (0.72   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLU-  15  11.00 +/- 0.95   0.045% *  0.0504% (0.13   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    PHE   60  15.34 +/- 0.92   0.007% *  0.2977% (0.79   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   60  15.91 +/- 0.84   0.005% *  0.3685% (0.98   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR  118  15.75 +/- 0.83   0.005% *  0.2892% (0.77   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    PHE   60  12.57 +/- 0.75   0.021% *  0.0503% (0.13   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    THR  118  17.67 +/- 2.29   0.003% *  0.2970% (0.79   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  15  14.95 +/- 0.84   0.006% *  0.1326% (0.35   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    PHE   60  17.95 +/- 1.23   0.002% *  0.3432% (0.91   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    THR  118  15.96 +/- 1.61   0.005% *  0.1232% (0.33   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR  118  19.40 +/- 1.37   0.002% *  0.2399% (0.64   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  15  16.72 +/- 1.38   0.003% *  0.0778% (0.21   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  15  20.13 +/- 0.87   0.001% *  0.1326% (0.35   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR  118  23.59 +/- 1.22   0.000% *  0.2766% (0.74   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   60  23.90 +/- 0.97   0.000% *  0.1956% (0.52   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  15  24.76 +/- 1.28   0.000% *  0.1466% (0.39   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   60  26.12 +/- 1.39   0.000% *  0.1268% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    THR  118  27.93 +/- 0.79   0.000% *  0.1577% (0.42   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  21.90 +/- 1.29   0.001% *  0.0200% (0.05   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  27.85 +/- 1.59   0.000% *  0.0608% (0.16   0.02   0.02) =   0.000%
          QB    MET   11 - HN    THR  118  30.84 +/- 1.33   0.000% *  0.1022% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.0815, support = 1.95, residual support = 10.5:
      O   QB    GLU-  15 - HN    GLU-  15   3.14 +/- 0.18  83.859% * 48.2058% (0.06  10.0   2.00  10.97) =  96.117%  kept
          QB    GLU- 114 - HN    THR  118   4.71 +/- 0.68   9.467% * 12.1302% (0.48   1.0   0.63   0.02) =   2.730%  kept
          HG3   PRO   58 - HN    PHE   60   6.22 +/- 0.22   1.462% * 31.8947% (0.89   1.0   0.91   0.02) =   1.109%  kept
          HB2   LEU  115 - HN    THR  118   5.76 +/- 0.24   2.343% *  0.5492% (0.69   1.0   0.02   0.02) =   0.031%
          HB2   LEU  115 - HN    PHE   60   8.04 +/- 1.16   0.417% *  0.6814% (0.86   1.0   0.02   0.02) =   0.007%
          HB2   GLN   17 - HN    GLU-  15   6.40 +/- 0.53   1.598% *  0.0482% (0.06   1.0   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    GLU-  15   8.61 +/- 0.83   0.259% *  0.2146% (0.27   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    PHE   60  10.76 +/- 1.30   0.068% *  0.4765% (0.60   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    PHE   60   9.94 +/- 0.95   0.120% *  0.1959% (0.25   1.0   0.02   1.02) =   0.001%
          HB2   LEU   67 - HN    PHE   60  10.79 +/- 0.75   0.058% *  0.3824% (0.48   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    GLU-  15  11.65 +/- 2.03   0.062% *  0.2388% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    GLU-  15  11.04 +/- 1.60   0.075% *  0.1521% (0.19   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    THR  118  13.17 +/- 1.13   0.018% *  0.5678% (0.72   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLU-  15   9.92 +/- 0.58   0.100% *  0.0779% (0.10   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    PHE   60  14.44 +/- 1.61   0.012% *  0.6004% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    THR  118  13.27 +/- 1.92   0.022% *  0.3082% (0.39   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR  118  16.01 +/- 2.72   0.011% *  0.4838% (0.61   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    PHE   60  14.53 +/- 0.75   0.009% *  0.5396% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   60  12.93 +/- 0.98   0.022% *  0.1212% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   60  15.46 +/- 0.54   0.006% *  0.1212% (0.15   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    THR  118  20.37 +/- 0.70   0.001% *  0.4349% (0.55   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    THR  118  18.21 +/- 1.48   0.003% *  0.1579% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    GLU-  15  21.78 +/- 1.20   0.001% *  0.2802% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR  118  19.57 +/- 1.07   0.002% *  0.0977% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    GLU-  15  24.50 +/- 1.17   0.000% *  0.2710% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR  118  20.91 +/- 1.23   0.001% *  0.0977% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU-  15  20.86 +/- 1.01   0.001% *  0.0869% (0.11   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  15  24.15 +/- 1.32   0.000% *  0.1895% (0.24   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   60  24.63 +/- 0.78   0.000% *  0.2184% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    THR  118  29.38 +/- 0.99   0.000% *  0.1760% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1288 (1.69, 8.20, 120.98 ppm):
    30 chemical-shift based assignments, quality = 0.0922, support = 2.16, residual support = 2.33:
          QG1   ILE   56 - HN    PHE   60   3.77 +/- 0.65  92.648% * 44.9638% (0.09   2.17   2.34) =  99.830%  kept
          HG3   PRO   93 - HN    PHE   60   8.47 +/- 1.01   1.168% *  1.6023% (0.36   0.02   0.02) =   0.045%
          QD    LYS+ 106 - HN    THR  118   9.12 +/- 1.48   1.395% *  0.9896% (0.22   0.02   2.94) =   0.033%
          HB2   LEU  123 - HN    THR  118   8.88 +/- 0.58   0.793% *  0.9487% (0.21   0.02   0.02) =   0.018%
          HD2   LYS+ 111 - HN    THR  118   9.68 +/- 1.06   0.596% *  1.1614% (0.26   0.02   0.02) =   0.017%
          QG1   ILE   56 - HN    THR  118   7.69 +/- 0.82   2.451% *  0.2345% (0.05   0.02   0.02) =   0.014%
          HB2   LEU   73 - HN    GLU-  15  12.58 +/- 1.28   0.119% *  4.3355% (0.97   0.02   0.02) =   0.012%
          HB3   MET   92 - HN    PHE   60  11.61 +/- 1.22   0.169% *  2.0967% (0.47   0.02   0.02) =   0.008%
          HB2   LEU  123 - HN    PHE   60  13.77 +/- 1.51   0.097% *  1.6789% (0.37   0.02   0.02) =   0.004%
          HG3   PRO   93 - HN    THR  118  11.87 +/- 1.60   0.168% *  0.9055% (0.20   0.02   0.02) =   0.004%
          HB2   LEU   73 - HN    PHE   60  13.74 +/- 1.28   0.075% *  2.0234% (0.45   0.02   2.10) =   0.004%
          HD2   LYS+ 111 - HN    PHE   60  14.11 +/- 0.88   0.052% *  2.0552% (0.46   0.02   0.02) =   0.003%
          QD    LYS+ 106 - HN    PHE   60  14.01 +/- 0.70   0.058% *  1.7513% (0.39   0.02   0.02) =   0.002%
          HB3   MET   92 - HN    THR  118  13.91 +/- 1.38   0.053% *  1.1848% (0.26   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    GLU-  15  17.24 +/- 1.21   0.017% *  3.5973% (0.80   0.02   0.02) =   0.001%
          QD    LYS+  99 - HN    THR  118  14.21 +/- 1.27   0.057% *  0.9487% (0.21   0.02   0.02) =   0.001%
          QD    LYS+  99 - HN    PHE   60  17.72 +/- 1.15   0.015% *  1.6789% (0.37   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    GLU-  15  21.79 +/- 1.84   0.005% *  3.5973% (0.80   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    GLU-  15  17.43 +/- 1.37   0.016% *  1.0002% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    THR  118  18.56 +/- 1.27   0.010% *  1.1434% (0.25   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    GLU-  15  22.59 +/- 1.06   0.003% *  3.7524% (0.84   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    THR  118  17.29 +/- 1.18   0.015% *  0.6708% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    GLU-  15  24.34 +/- 0.86   0.002% *  3.4333% (0.76   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    GLU-  15  19.26 +/- 1.06   0.006% *  0.8891% (0.20   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    GLU-  15  23.53 +/- 0.95   0.002% *  2.5434% (0.57   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    GLU-  15  26.12 +/- 1.29   0.001% *  4.4925% (1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    PHE   60  21.68 +/- 1.06   0.004% *  1.1870% (0.26   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    GLU-  15  30.41 +/- 0.86   0.000% *  4.4035% (0.98   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    PHE   60  23.42 +/- 1.35   0.002% *  0.4668% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    THR  118  21.83 +/- 1.37   0.003% *  0.2638% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.12 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.244, support = 2.65, residual support = 41.7:
          QB    ALA   61 - HN    PHE   60   4.31 +/- 0.11  66.282% * 72.6164% (0.25   2.67  41.93) =  99.422%  kept
          HG12  ILE   19 - HN    GLU-  15   6.82 +/- 0.99   6.484% *  1.8509% (0.84   0.02   0.02) =   0.248%
          HD3   LYS+ 121 - HN    THR  118   6.11 +/- 1.50  16.753% *  0.5395% (0.24   0.02   8.08) =   0.187%
          QB    ALA   12 - HN    GLU-  15   7.36 +/- 0.74   3.564% *  0.8317% (0.38   0.02   0.02) =   0.061%
          QB    ALA  110 - HN    PHE   60   8.42 +/- 2.02   2.028% *  0.7904% (0.36   0.02   0.02) =   0.033%
          QB    ALA  110 - HN    THR  118   9.50 +/- 1.24   1.649% *  0.4466% (0.20   0.02   0.02) =   0.015%
          HB3   LEU   67 - HN    GLU-  15  11.14 +/- 1.59   0.485% *  0.8317% (0.38   0.02   0.02) =   0.008%
          QG    LYS+  66 - HN    PHE   60   8.74 +/- 0.96   1.154% *  0.2303% (0.10   0.02   0.02) =   0.005%
          QB    ALA   61 - HN    GLU-  15  11.80 +/- 0.97   0.186% *  1.1659% (0.53   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    GLU-  15  13.47 +/- 0.99   0.079% *  1.9874% (0.90   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HN    PHE   60  12.01 +/- 0.87   0.157% *  0.9275% (0.42   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    PHE   60  11.78 +/- 1.03   0.191% *  0.3882% (0.18   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    PHE   60  13.92 +/- 1.34   0.072% *  0.9547% (0.43   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    THR  118  10.62 +/- 1.61   0.412% *  0.1301% (0.06   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    GLU-  15  13.49 +/- 1.08   0.084% *  0.4934% (0.22   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    THR  118  12.32 +/- 0.72   0.129% *  0.3075% (0.14   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    PHE   60  15.20 +/- 1.39   0.043% *  0.8639% (0.39   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    GLU-  15  17.28 +/- 0.83   0.017% *  1.4335% (0.65   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    THR  118  14.19 +/- 0.77   0.056% *  0.3781% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    THR  118  13.73 +/- 1.83   0.083% *  0.2193% (0.10   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    PHE   60  16.15 +/- 0.93   0.026% *  0.6690% (0.30   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    PHE   60  18.72 +/- 1.03   0.011% *  1.0251% (0.46   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    PHE   60  18.26 +/- 1.25   0.013% *  0.7510% (0.34   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLU-  15  22.55 +/- 2.50   0.005% *  2.0456% (0.92   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLU-  15  20.62 +/- 0.97   0.006% *  1.6091% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLU-  15  21.77 +/- 1.01   0.004% *  2.1964% (0.99   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLU-  15  22.33 +/- 1.64   0.004% *  1.6935% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    THR  118  19.60 +/- 0.99   0.008% *  0.5241% (0.24   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    THR  118  21.27 +/- 1.48   0.005% *  0.4882% (0.22   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    PHE   60  21.45 +/- 1.51   0.005% *  0.3882% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    THR  118  23.08 +/- 1.11   0.003% *  0.5793% (0.26   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    THR  118  23.35 +/- 1.02   0.003% *  0.4244% (0.19   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR  118  26.18 +/- 1.43   0.001% *  0.2193% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1291 (1.28, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.895, support = 3.74, residual support = 25.7:
      O   QB    ALA   34 - HN    ALA   34   2.06 +/- 0.08  98.515% * 99.2769% (0.89  10.0   3.74  25.66) =  99.999%  kept
          QG2   THR   23 - HN    LEU   80   5.70 +/- 0.66   0.600% *  0.0983% (0.89   1.0   0.02  10.46) =   0.001%
          QG2   THR   39 - HN    ALA   34   6.00 +/- 1.01   0.575% *  0.0308% (0.28   1.0   0.02   8.06) =   0.000%
          QG2   THR   77 - HN    LEU   80   5.60 +/- 0.56   0.288% *  0.0221% (0.20   1.0   0.02   0.52) =   0.000%
          HG3   LYS+  38 - HN    ALA   34   8.95 +/- 0.43   0.016% *  0.0582% (0.52   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  13.24 +/- 0.71   0.002% *  0.1097% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80  12.22 +/- 0.64   0.002% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.71 +/- 1.75   0.001% *  0.0720% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  15.59 +/- 0.52   0.001% *  0.0889% (0.80   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  20.11 +/- 1.88   0.000% *  0.0804% (0.72   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  17.36 +/- 0.60   0.000% *  0.0246% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  18.39 +/- 1.04   0.000% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  21.81 +/- 0.77   0.000% *  0.0308% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  26.62 +/- 1.05   0.000% *  0.0522% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 0.564, support = 3.55, residual support = 25.7:
      O   HA    ALA   34 - HN    ALA   34   2.76 +/- 0.02  96.430% * 82.5692% (0.56  10.0   3.54  25.66) =  99.430%  kept
          HA    LYS+  81 - HN    LEU   80   4.98 +/- 0.12   2.840% * 16.0555% (0.47   1.0   4.67  29.47) =   0.569%  kept
          HA    GLU-  36 - HN    ALA   34   6.85 +/- 0.06   0.415% *  0.0600% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA   34   7.81 +/- 0.23   0.192% *  0.1115% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34  10.62 +/- 2.37   0.106% *  0.0547% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  12.40 +/- 0.58   0.012% *  0.0998% (0.68   1.0   0.02   1.71) =   0.000%
          HA    ARG+  54 - HN    LEU   80  18.68 +/- 1.45   0.001% *  0.1280% (0.88   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  20.45 +/- 0.62   0.001% *  0.0740% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  21.69 +/- 0.77   0.000% *  0.0949% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  21.47 +/- 0.71   0.000% *  0.0767% (0.52   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  24.81 +/- 2.21   0.000% *  0.1346% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  23.76 +/- 1.32   0.000% *  0.1059% (0.72   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  22.25 +/- 2.94   0.001% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  28.23 +/- 1.67   0.000% *  0.1430% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  25.02 +/- 0.56   0.000% *  0.0537% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  24.98 +/- 1.38   0.000% *  0.0326% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  26.50 +/- 1.27   0.000% *  0.0364% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  32.70 +/- 1.22   0.000% *  0.1206% (0.82   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.974, support = 6.92, residual support = 43.1:
      O   HA    LYS+  33 - HN    ALA   34   3.59 +/- 0.01  73.818% * 91.0669% (0.99  10.0   6.97  44.16) =  97.705%  kept
          HA    GLN   32 - HN    ALA   34   4.47 +/- 0.15  20.208% *  7.8004% (0.34   1.0   4.98   0.11) =   2.291%  kept
          HA    GLU-  29 - HN    ALA   34   7.11 +/- 0.42   1.335% *  0.0911% (0.99   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    LEU   80   7.27 +/- 0.54   1.213% *  0.0778% (0.85   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    ALA   34   6.22 +/- 0.43   3.004% *  0.0161% (0.17   1.0   0.02   0.11) =   0.001%
          HA    VAL   70 - HN    ALA   34  10.52 +/- 0.98   0.139% *  0.0736% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   80  10.37 +/- 1.21   0.164% *  0.0499% (0.54   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  13.83 +/- 0.64   0.024% *  0.0901% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  12.47 +/- 0.35   0.043% *  0.0309% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  15.10 +/- 0.51   0.014% *  0.0807% (0.88   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  15.40 +/- 0.34   0.012% *  0.0816% (0.89   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  15.33 +/- 0.88   0.013% *  0.0163% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  20.64 +/- 1.55   0.002% *  0.0869% (0.94   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  20.75 +/- 0.59   0.002% *  0.0816% (0.89   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  21.30 +/- 0.42   0.002% *  0.0659% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  19.12 +/- 0.53   0.003% *  0.0281% (0.30   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  25.56 +/- 1.53   0.001% *  0.0736% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  22.44 +/- 0.78   0.001% *  0.0345% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  25.25 +/- 1.06   0.001% *  0.0659% (0.72   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.50 +/- 0.73   0.001% *  0.0557% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  23.73 +/- 0.84   0.001% *  0.0144% (0.16   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  28.10 +/- 0.70   0.000% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (1.37, 8.08, 121.56 ppm):
    30 chemical-shift based assignments, quality = 0.76, support = 5.62, residual support = 43.7:
          HG3   LYS+  33 - HN    ALA   34   3.52 +/- 0.27  91.137% * 83.3840% (0.76   5.67  44.16) =  98.965%  kept
          QB    ALA   84 - HN    LEU   80   5.42 +/- 0.33   7.672% * 10.3251% (0.54   0.99   0.02) =   1.032%  kept
          HB3   LEU   73 - HN    ALA   34  10.28 +/- 0.67   0.171% *  0.3453% (0.89   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   34  10.25 +/- 0.80   0.180% *  0.3216% (0.83   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   80  11.07 +/- 0.88   0.111% *  0.3093% (0.80   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   34   9.00 +/- 0.74   0.375% *  0.0674% (0.17   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   34  10.82 +/- 1.12   0.129% *  0.1874% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   34  14.73 +/- 2.10   0.031% *  0.3555% (0.92   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   34  14.96 +/- 2.24   0.052% *  0.1445% (0.37   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   80  12.39 +/- 0.64   0.052% *  0.0860% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   80  15.18 +/- 0.78   0.016% *  0.2231% (0.58   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   80  16.88 +/- 0.41   0.008% *  0.2881% (0.75   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   34  18.18 +/- 0.81   0.005% *  0.3842% (1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   34  17.16 +/- 0.48   0.007% *  0.2336% (0.61   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   80  17.26 +/- 1.07   0.007% *  0.1679% (0.44   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   80  19.48 +/- 1.63   0.004% *  0.2636% (0.68   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   80  19.85 +/- 0.94   0.003% *  0.3441% (0.89   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   34  16.22 +/- 0.69   0.010% *  0.0960% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   34  20.93 +/- 1.64   0.002% *  0.3216% (0.83   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   80  16.74 +/- 0.86   0.009% *  0.0604% (0.16   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   80  22.59 +/- 1.85   0.002% *  0.2881% (0.75   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   34  21.11 +/- 1.88   0.002% *  0.1445% (0.37   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   34  18.41 +/- 0.80   0.005% *  0.0674% (0.17   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   34  22.85 +/- 0.73   0.001% *  0.2491% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   80  24.44 +/- 1.49   0.001% *  0.3184% (0.82   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   80  25.65 +/- 1.53   0.001% *  0.3328% (0.86   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   80  19.31 +/- 1.03   0.004% *  0.0604% (0.16   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   80  22.92 +/- 1.54   0.001% *  0.1294% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   34  30.72 +/- 1.26   0.000% *  0.3716% (0.96   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   80  27.73 +/- 1.06   0.000% *  0.1294% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.725, support = 5.88, residual support = 43.6:
          QB    LYS+  33 - HN    ALA   34   2.96 +/- 0.17  94.719% * 47.6267% (0.72   5.93  44.16) =  97.379%  kept
          QB    LYS+  81 - HN    LEU   80   5.53 +/- 0.30   2.428% * 38.8827% (0.78   4.53  29.47) =   2.038%  kept
          HB3   GLN   30 - HN    ALA   34   5.71 +/- 0.67   2.627% * 10.2597% (0.69   1.35   0.44) =   0.582%  kept
          HB3   LYS+  38 - HN    ALA   34   8.94 +/- 0.12   0.131% *  0.1918% (0.87   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LEU   80  11.94 +/- 2.23   0.041% *  0.1586% (0.72   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  13.17 +/- 0.75   0.014% *  0.1360% (0.61   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  15.02 +/- 1.82   0.010% *  0.1042% (0.47   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  16.21 +/- 0.49   0.004% *  0.1983% (0.89   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  15.91 +/- 0.53   0.004% *  0.1776% (0.80   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.61 +/- 0.85   0.005% *  0.1163% (0.52   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  16.99 +/- 0.65   0.003% *  0.1438% (0.65   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  17.68 +/- 0.72   0.002% *  0.1341% (0.61   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  19.02 +/- 1.30   0.002% *  0.1911% (0.86   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  17.37 +/- 0.98   0.003% *  0.1076% (0.49   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  18.91 +/- 1.62   0.002% *  0.1121% (0.51   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  20.70 +/- 0.72   0.001% *  0.1918% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  20.63 +/- 0.99   0.001% *  0.1042% (0.47   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  22.02 +/- 0.94   0.001% *  0.1201% (0.54   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  25.43 +/- 1.14   0.000% *  0.2134% (0.96   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  25.01 +/- 1.14   0.000% *  0.1771% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  26.37 +/- 0.61   0.000% *  0.1718% (0.78   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  23.12 +/- 1.05   0.000% *  0.0676% (0.30   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  26.09 +/- 0.78   0.000% *  0.1163% (0.52   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  26.47 +/- 1.35   0.000% *  0.0964% (0.44   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  26.70 +/- 0.89   0.000% *  0.0754% (0.34   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  29.70 +/- 1.77   0.000% *  0.1252% (0.56   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1296 (4.83, 8.09, 121.65 ppm):
    10 chemical-shift based assignments, quality = 0.498, support = 7.13, residual support = 76.4:
      O   HA    LEU   80 - HN    LEU   80   2.81 +/- 0.13  89.377% * 70.7445% (0.50  10.0   7.20  77.13) =  98.910%  kept
          HA    THR   23 - HN    LEU   80   4.52 +/- 0.31   5.726% *  7.2069% (0.85   1.0   1.20  10.46) =   0.646%  kept
          HA    ASP-  78 - HN    LEU   80   5.81 +/- 0.36   1.304% * 21.6443% (0.94   1.0   3.23   2.40) =   0.441%
          HB    THR   23 - HN    LEU   80   5.64 +/- 0.92   3.585% *  0.0505% (0.36   1.0   0.02  10.46) =   0.003%
          HA    THR   23 - HN    ALA   34  15.40 +/- 0.38   0.003% *  0.0997% (0.70   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ALA   34  16.51 +/- 0.29   0.002% *  0.0417% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  18.33 +/- 0.81   0.001% *  0.0585% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  24.05 +/- 0.49   0.000% *  0.1109% (0.78   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  18.92 +/- 0.45   0.001% *  0.0195% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  22.31 +/- 0.54   0.000% *  0.0235% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 5.48, residual support = 48.9:
      O   HA    GLU-  79 - HN    LEU   80   3.59 +/- 0.15  95.133% * 98.8868% (0.76  10.0   5.48  48.86) =  99.997%  kept
          HB    THR   77 - HN    LEU   80   6.47 +/- 0.68   3.472% *  0.0381% (0.29   1.0   0.02   0.52) =   0.001%
          HA    THR   39 - HN    ALA   34   7.62 +/- 0.28   1.104% *  0.0886% (0.68   1.0   0.02   8.06) =   0.001%
          HA    SER   85 - HN    LEU   80  10.89 +/- 0.28   0.129% *  0.0381% (0.29   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   80  11.89 +/- 0.42   0.077% *  0.0308% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   34  13.67 +/- 0.66   0.034% *  0.0420% (0.32   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   80  17.22 +/- 0.98   0.009% *  0.1210% (0.93   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   80  17.60 +/- 0.93   0.007% *  0.1168% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  15.35 +/- 0.33   0.016% *  0.0255% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   34  21.57 +/- 0.61   0.002% *  0.0818% (0.63   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    LEU   80  20.25 +/- 0.85   0.003% *  0.0508% (0.39   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  19.35 +/- 2.93   0.007% *  0.0227% (0.17   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU   80  23.55 +/- 0.58   0.001% *  0.1071% (0.82   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ALA   34  23.59 +/- 1.26   0.001% *  0.1001% (0.77   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  21.97 +/- 0.85   0.002% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  22.47 +/- 0.67   0.002% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  30.93 +/- 0.67   0.000% *  0.0966% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  26.04 +/- 0.97   0.001% *  0.0284% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  27.44 +/- 0.86   0.001% *  0.0343% (0.26   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  29.90 +/- 2.15   0.000% *  0.0275% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 0.789, support = 5.52, residual support = 48.2:
          HB3   GLU-  79 - HN    LEU   80   2.82 +/- 0.68  94.500% * 76.7640% (0.79   5.57  48.86) =  98.627%  kept
          QB    GLU-  36 - HN    ALA   34   5.10 +/- 0.21   4.823% * 20.9081% (0.70   1.71   0.02) =   1.371%  kept
          HB3   GLU-  29 - HN    ALA   34   8.15 +/- 0.59   0.282% *  0.2722% (0.78   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    ALA   34  10.06 +/- 0.65   0.100% *  0.2084% (0.60   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   34   8.54 +/- 0.14   0.217% *  0.0842% (0.24   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  11.66 +/- 2.17   0.056% *  0.3045% (0.87   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  15.06 +/- 0.65   0.008% *  0.3292% (0.94   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  14.27 +/- 0.77   0.010% *  0.2521% (0.72   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  20.90 +/- 0.59   0.001% *  0.2959% (0.85   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  19.68 +/- 0.89   0.001% *  0.2278% (0.65   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  25.46 +/- 0.71   0.000% *  0.2518% (0.72   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   80  26.58 +/- 0.59   0.000% *  0.1018% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 4.04, residual support = 18.8:
        T HN    ASN   35 - HN    ALA   34   2.70 +/- 0.05  99.992% * 98.7794% (0.80 10.00   4.04  18.77) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  20.56 +/- 0.55   0.001% *  0.8847% (0.72 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  18.04 +/- 2.74   0.002% *  0.1223% (0.99  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.70 +/- 0.45   0.004% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  17.78 +/- 0.54   0.001% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  28.54 +/- 1.72   0.000% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  23.16 +/- 0.81   0.000% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  26.23 +/- 1.15   0.000% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 5.13, residual support = 29.5:
          HN    LYS+  81 - HN    LEU   80   3.60 +/- 0.20  98.952% * 98.3454% (0.89   5.13  29.47) =  99.999%  kept
          HE3   TRP   27 - HN    ALA   34   8.35 +/- 1.06   0.777% *  0.0956% (0.22   0.02   0.02) =   0.001%
          HE3   TRP   27 - HN    LEU   80  10.67 +/- 0.99   0.210% *  0.0856% (0.20   0.02   8.95) =   0.000%
          QD    PHE   60 - HN    LEU   80  13.79 +/- 0.85   0.037% *  0.3078% (0.72   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  16.76 +/- 1.10   0.011% *  0.3437% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  20.79 +/- 0.76   0.003% *  0.4283% (1.00   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  19.38 +/- 0.89   0.004% *  0.1325% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    LEU   80  19.91 +/- 0.94   0.004% *  0.0673% (0.16   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  23.12 +/- 0.82   0.002% *  0.1187% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   34  26.91 +/- 0.87   0.001% *  0.0752% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.698, support = 1.05, residual support = 2.86:
          HA    GLN   30 - HN    ALA   34   4.69 +/- 0.51  46.644% * 30.7636% (0.80   0.90   0.44) =  55.311%  kept
          HB    THR   39 - HN    ALA   34   5.44 +/- 0.50  21.701% * 38.6893% (0.61   1.50   8.06) =  32.363%  kept
          HB3   SER   37 - HN    ALA   34   5.14 +/- 0.61  28.690% *  9.8901% (0.45   0.52   0.11) =  10.937%  kept
          HB3   SER   82 - HN    LEU   80   7.64 +/- 0.35   2.481% * 14.4401% (0.82   0.41   0.02) =   1.381%  kept
          HA    ILE   89 - HN    LEU   80  11.32 +/- 0.56   0.239% *  0.3415% (0.40   0.02   0.02) =   0.003%
          QB    SER   13 - HN    ALA   34  13.87 +/- 1.91   0.096% *  0.5502% (0.65   0.02   0.02) =   0.002%
          HA    GLN   30 - HN    LEU   80  15.35 +/- 0.51   0.037% *  0.6100% (0.72   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    LEU   80  16.48 +/- 0.97   0.025% *  0.6608% (0.78   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    LEU   80  14.85 +/- 1.33   0.049% *  0.2859% (0.34   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    ALA   34  19.51 +/- 1.70   0.009% *  0.7851% (0.92   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LEU   80  21.38 +/- 0.58   0.005% *  0.4620% (0.54   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ALA   34  21.27 +/- 0.50   0.005% *  0.3813% (0.45   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   80  23.05 +/- 1.16   0.003% *  0.4928% (0.58   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   80  22.95 +/- 0.96   0.003% *  0.3415% (0.40   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    ALA   34  25.62 +/- 1.54   0.002% *  0.3192% (0.37   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   34  22.04 +/- 0.95   0.004% *  0.1312% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ALA   34  29.62 +/- 0.61   0.001% *  0.7378% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   80  22.07 +/- 0.78   0.004% *  0.1175% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.752, support = 1.77, residual support = 4.74:
          HA    LEU   31 - HN    ALA   34   2.98 +/- 0.16  83.696% * 87.4868% (0.76   1.80   4.85) =  97.575%  kept
          HA    THR   77 - HN    LEU   80   4.11 +/- 0.70  16.300% * 11.1666% (0.34   0.52   0.52) =   2.425%  kept
          HA    LEU   31 - HN    LEU   80  16.27 +/- 0.54   0.003% *  0.8698% (0.68   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  20.29 +/- 0.57   0.001% *  0.4769% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.306, support = 2.35, residual support = 5.76:
          HA    ASP-  78 - HN    LEU   80   5.81 +/- 0.36  17.193% * 77.0775% (0.40   3.23   2.40) =  57.775%  kept
          HA    THR   23 - HN    LEU   80   4.52 +/- 0.31  70.970% * 12.6038% (0.18   1.20  10.46) =  38.998%  kept
          HA    VAL   41 - HN    ALA   34   6.52 +/- 0.59   9.235% *  7.8139% (0.17   0.75   9.35) =   3.146%  kept
          HA    PHE   45 - HN    LEU   80   8.02 +/- 0.44   2.504% *  0.7320% (0.61   0.02   0.02) =   0.080%
          HA    PHE   45 - HN    ALA   34  17.04 +/- 0.29   0.025% *  0.8173% (0.69   0.02   0.02) =   0.001%
          HA    THR   23 - HN    ALA   34  15.40 +/- 0.38   0.047% *  0.2355% (0.20   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    LEU   80  17.22 +/- 0.50   0.024% *  0.1866% (0.16   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  24.05 +/- 0.49   0.003% *  0.5334% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.35 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.696, support = 3.67, residual support = 15.5:
          HB2   ASP-  76 - HN    LEU   80   4.27 +/- 0.38  62.817% * 25.7818% (0.75   2.85   3.05) =  56.404%  kept
          QE    LYS+  33 - HN    ALA   34   5.03 +/- 0.50  26.700% * 32.7518% (0.52   5.15  44.16) =  30.456%  kept
          HB2   ASP-  78 - HN    LEU   80   5.94 +/- 0.47   9.383% * 40.2018% (0.88   3.78   2.40) =  13.137%  kept
          HB2   ASN   28 - HN    ALA   34   9.58 +/- 0.37   0.491% *  0.0995% (0.41   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    ALA   34  13.30 +/- 1.21   0.082% *  0.1757% (0.72   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    LEU   80  10.13 +/- 0.43   0.362% *  0.0293% (0.12   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    LEU   80  12.39 +/- 0.48   0.106% *  0.0891% (0.37   0.02   1.71) =   0.000%
          QE    LYS+  33 - HN    LEU   80  17.59 +/- 1.32   0.014% *  0.1140% (0.47   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  19.29 +/- 0.85   0.007% *  0.2021% (0.83   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  16.56 +/- 0.98   0.019% *  0.0327% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  23.54 +/- 0.66   0.002% *  0.2372% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  19.98 +/- 1.93   0.008% *  0.0673% (0.28   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  20.77 +/- 2.31   0.006% *  0.0603% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  25.77 +/- 0.81   0.001% *  0.1574% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1306 (2.33, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.435, support = 5.43, residual support = 48.9:
          HB2   GLU-  79 - HN    LEU   80   2.56 +/- 0.72  99.418% * 94.5840% (0.44   5.43  48.86) =  99.998%  kept
          HG3   GLU-  36 - HN    ALA   34   7.15 +/- 0.34   0.515% *  0.2728% (0.34   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HN    LEU   80  11.02 +/- 0.75   0.044% *  0.7020% (0.88   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  15.43 +/- 0.48   0.005% *  0.7838% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  15.71 +/- 1.00   0.004% *  0.6212% (0.78   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  15.44 +/- 2.50   0.010% *  0.2443% (0.30   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  19.46 +/- 0.87   0.001% *  0.3892% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  20.51 +/- 1.48   0.001% *  0.2944% (0.37   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  23.23 +/- 1.74   0.000% *  0.3287% (0.41   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  23.12 +/- 0.95   0.000% *  0.2688% (0.34   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  27.95 +/- 0.89   0.000% *  0.6936% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  24.30 +/- 0.67   0.000% *  0.2443% (0.30   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  26.43 +/- 0.95   0.000% *  0.3001% (0.37   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  26.83 +/- 1.10   0.000% *  0.2728% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.771, support = 5.49, residual support = 47.8:
          HB3   GLU-  79 - HN    LEU   80   2.82 +/- 0.68  86.858% * 68.7077% (0.78   5.57  48.86) =  97.770%  kept
          QB    GLU-  36 - HN    ALA   34   5.10 +/- 0.21   4.153% * 21.7260% (0.80   1.71   0.02) =   1.478%  kept
          QB    GLN   32 - HN    ALA   34   4.84 +/- 0.05   5.706% *  8.0026% (0.17   2.88   0.11) =   0.748%  kept
          HB    VAL   24 - HN    LEU   80   5.81 +/- 0.64   2.769% *  0.0633% (0.20   0.02   9.40) =   0.003%
          HB3   GLU-  29 - HN    ALA   34   8.15 +/- 0.59   0.245% *  0.1545% (0.49   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    ALA   34   9.79 +/- 1.13   0.106% *  0.1545% (0.49   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   34  10.06 +/- 0.65   0.086% *  0.0556% (0.17   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  11.66 +/- 2.17   0.048% *  0.0878% (0.28   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  15.06 +/- 0.65   0.007% *  0.1384% (0.44   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    ALA   34  14.76 +/- 0.41   0.007% *  0.0707% (0.22   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  14.27 +/- 0.77   0.009% *  0.0498% (0.16   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  19.68 +/- 0.89   0.001% *  0.2754% (0.87   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    LEU   80  16.28 +/- 0.53   0.004% *  0.0498% (0.16   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  20.90 +/- 0.59   0.001% *  0.2277% (0.72   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    LEU   80  24.85 +/- 0.92   0.000% *  0.1384% (0.44   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  25.46 +/- 0.71   0.000% *  0.0980% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.683, support = 0.245, residual support = 0.491:
          QG1   VAL   75 - HN    LEU   80   3.71 +/- 0.44  99.938% * 76.9608% (0.68   0.25   0.49) =  99.994%  kept
          QG1   VAL   75 - HN    ALA   34  13.60 +/- 0.43   0.050% *  7.0032% (0.76   0.02   0.02) =   0.005%
          QD1   LEU  115 - HN    LEU   80  18.84 +/- 1.61   0.008% *  7.5767% (0.82   0.02   0.02) =   0.001%
          QD1   LEU  115 - HN    ALA   34  21.93 +/- 1.90   0.004% *  8.4593% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1309 (0.57, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.209, support = 7.3, residual support = 77.1:
          QD1   LEU   80 - HN    LEU   80   2.07 +/- 0.47  91.873% * 31.1190% (0.18   7.39  77.13) =  85.411%  kept
          QD2   LEU   80 - HN    LEU   80   3.60 +/- 0.48   7.498% * 65.1104% (0.40   6.82  77.13) =  14.585%  kept
          QD1   LEU   73 - HN    ALA   34   6.43 +/- 0.62   0.191% *  0.3971% (0.83   0.02   0.02) =   0.002%
          QG2   VAL   41 - HN    ALA   34   5.61 +/- 0.50   0.354% *  0.1622% (0.34   0.02   9.35) =   0.002%
          QD1   LEU   73 - HN    LEU   80   9.82 +/- 0.62   0.023% *  0.3557% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ALA   34   8.19 +/- 0.59   0.039% *  0.0941% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  12.12 +/- 0.68   0.005% *  0.2132% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  11.85 +/- 0.91   0.005% *  0.1186% (0.25   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  14.58 +/- 1.14   0.001% *  0.4264% (0.89   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  15.26 +/- 0.90   0.001% *  0.3971% (0.83   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  15.76 +/- 1.25   0.001% *  0.3557% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   80  13.51 +/- 0.93   0.003% *  0.0843% (0.18   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   80  13.74 +/- 1.22   0.002% *  0.1453% (0.30   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  17.27 +/- 1.10   0.001% *  0.3819% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   34  13.96 +/- 0.51   0.002% *  0.0941% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  19.37 +/- 1.47   0.001% *  0.2073% (0.44   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  21.19 +/- 1.97   0.000% *  0.2314% (0.49   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  19.81 +/- 1.22   0.000% *  0.1062% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 0.602, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  21.54 +/- 1.95  13.775% * 31.5414% (1.00   0.02   0.02) =  34.400%  kept
          HB3   LEU  104 - HN    ALA   34  16.68 +/- 0.55  57.056% *  7.0378% (0.22   0.02   0.02) =  31.792%  kept
          HG3   LYS+ 121 - HN    ALA   34  21.15 +/- 1.46  14.463% * 14.1725% (0.45   0.02   0.02) =  16.229%  kept
          QD2   LEU  123 - HN    LEU   80  25.34 +/- 1.04   4.743% * 28.2508% (0.89   0.02   0.02) =  10.609%  kept
          HG3   LYS+ 121 - HN    LEU   80  26.35 +/- 1.57   3.950% * 12.6939% (0.40   0.02   0.02) =   3.970%  kept
          HB3   LEU  104 - HN    LEU   80  24.33 +/- 0.57   6.012% *  6.3036% (0.20   0.02   0.02) =   3.001%  kept
    Distance limit 4.31 A violated in 20 structures by 10.88 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.743, support = 5.88, residual support = 43.7:
          QB    LYS+  33 - HN    ALA   34   2.96 +/- 0.17  94.719% * 46.7874% (0.74   5.93  44.16) =  97.304%  kept
          QB    LYS+  81 - HN    LEU   80   5.53 +/- 0.30   2.428% * 45.5443% (0.94   4.53  29.47) =   2.428%  kept
          HB3   GLN   30 - HN    ALA   34   5.71 +/- 0.67   2.627% *  4.6305% (0.32   1.35   0.44) =   0.267%
          HB3   LYS+  38 - HN    ALA   34   8.94 +/- 0.12   0.131% *  0.1011% (0.47   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  11.94 +/- 2.23   0.041% *  0.1977% (0.93   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  13.17 +/- 0.75   0.014% *  0.0829% (0.39   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  15.91 +/- 0.53   0.004% *  0.2017% (0.95   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.61 +/- 0.85   0.005% *  0.1335% (0.63   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  16.21 +/- 0.49   0.004% *  0.1667% (0.78   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  15.02 +/- 1.82   0.010% *  0.0561% (0.26   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  16.99 +/- 0.65   0.003% *  0.1908% (0.89   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  17.37 +/- 0.98   0.003% *  0.1274% (0.60   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  17.68 +/- 0.72   0.002% *  0.1446% (0.68   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  18.91 +/- 1.62   0.002% *  0.1685% (0.79   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  19.02 +/- 1.30   0.002% *  0.1541% (0.72   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  20.70 +/- 0.72   0.001% *  0.1664% (0.78   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  20.63 +/- 0.99   0.001% *  0.1615% (0.76   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  22.02 +/- 0.94   0.001% *  0.1749% (0.82   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  25.01 +/- 1.14   0.000% *  0.1634% (0.77   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  26.47 +/- 1.35   0.000% *  0.1541% (0.72   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  25.43 +/- 1.14   0.000% *  0.1274% (0.60   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  26.37 +/- 0.61   0.000% *  0.1223% (0.57   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  29.70 +/- 1.77   0.000% *  0.1393% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  23.12 +/- 1.05   0.000% *  0.0311% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  26.09 +/- 0.78   0.000% *  0.0464% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  26.70 +/- 0.89   0.000% *  0.0257% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 3.74, residual support = 25.7:
      O   QB    ALA   34 - HN    ALA   34   2.06 +/- 0.08  99.077% * 98.3406% (0.24  10.0   3.74  25.66) =  99.998%  kept
          QG2   THR   23 - HN    LEU   80   5.70 +/- 0.66   0.602% *  0.2493% (0.61   1.0   0.02  10.46) =   0.002%
          QG2   THR   77 - HN    LEU   80   5.60 +/- 0.56   0.289% *  0.3086% (0.76   1.0   0.02   0.52) =   0.001%
          HG2   LYS+  38 - HN    ALA   34   8.24 +/- 0.33   0.026% *  0.0492% (0.12   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LEU   80  12.11 +/- 0.29   0.003% *  0.1584% (0.39   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  13.24 +/- 0.71   0.002% *  0.2061% (0.51   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  17.36 +/- 0.60   0.000% *  0.2551% (0.63   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  15.59 +/- 0.52   0.001% *  0.1189% (0.29   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.71 +/- 1.75   0.001% *  0.0675% (0.17   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  19.03 +/- 0.69   0.000% *  0.1310% (0.32   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  20.11 +/- 1.88   0.000% *  0.0558% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  26.04 +/- 0.72   0.000% *  0.0595% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 0.573, support = 6.92, residual support = 77.1:
          HG    LEU   80 - HN    LEU   80   2.62 +/- 0.66  62.471% * 48.8234% (0.76   1.0   6.96  77.13) =  62.607%  kept
      O   HB2   LEU   80 - HN    LEU   80   3.11 +/- 0.54  37.390% * 48.7211% (0.26  10.0   6.84  77.13) =  37.393%  kept
          HG    LEU   73 - HN    ALA   34   8.94 +/- 0.77   0.047% *  0.1210% (0.65   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   34  11.06 +/- 0.97   0.013% *  0.0995% (0.54   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   80   9.58 +/- 0.67   0.038% *  0.0270% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   80  12.39 +/- 1.29   0.006% *  0.1464% (0.79   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   34  10.48 +/- 0.96   0.017% *  0.0494% (0.27   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   34  15.10 +/- 1.66   0.002% *  0.1446% (0.78   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   34  14.35 +/- 2.07   0.003% *  0.1052% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   80  16.01 +/- 0.94   0.001% *  0.1339% (0.72   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   80  16.19 +/- 1.10   0.001% *  0.1658% (0.89   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   34  16.41 +/- 0.96   0.002% *  0.1160% (0.63   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   80  15.77 +/- 0.56   0.001% *  0.1204% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA   34  18.19 +/- 0.89   0.001% *  0.1371% (0.74   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA   34  19.42 +/- 0.92   0.000% *  0.1398% (0.75   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   34  15.51 +/- 1.47   0.002% *  0.0361% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  16.62 +/- 0.59   0.001% *  0.0403% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   80  22.33 +/- 1.21   0.000% *  0.1748% (0.94   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  15.55 +/- 0.67   0.001% *  0.0224% (0.12   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   80  22.92 +/- 0.85   0.000% *  0.1691% (0.91   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   34  22.73 +/- 1.00   0.000% *  0.1107% (0.60   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  20.96 +/- 0.99   0.000% *  0.0598% (0.32   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  21.13 +/- 0.97   0.000% *  0.0598% (0.32   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  20.68 +/- 2.29   0.001% *  0.0254% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   80  24.67 +/- 1.35   0.000% *  0.1272% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  22.89 +/- 1.07   0.000% *  0.0437% (0.24   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  24.47 +/- 1.47   0.000% *  0.0494% (0.27   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  25.16 +/- 1.78   0.000% *  0.0307% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.746, support = 0.767, residual support = 8.8:
          QG1   VAL   41 - HN    ALA   34   4.38 +/- 0.61  73.248% * 48.8324% (0.78   0.75   9.35) =  88.198%  kept
          HG    LEU   31 - HN    ALA   34   6.15 +/- 0.29  12.071% * 38.6375% (0.51   0.92   4.85) =  11.500%  kept
          QG2   THR   46 - HN    LEU   80   7.34 +/- 0.78   4.865% *  0.9574% (0.57   0.02   0.02) =   0.115%
          QD2   LEU   73 - HN    ALA   34   7.31 +/- 0.94   4.751% *  0.6353% (0.38   0.02   0.02) =   0.074%
          QG1   VAL   43 - HN    ALA   34   8.28 +/- 0.83   2.007% *  1.2048% (0.72   0.02   0.02) =   0.060%
          QG1   VAL   43 - HN    LEU   80  10.44 +/- 0.82   0.506% *  1.4571% (0.87   0.02   0.02) =   0.018%
          QD1   ILE   19 - HN    ALA   34   8.77 +/- 0.93   1.396% *  0.3629% (0.22   0.02   0.02) =   0.012%
          QD2   LEU   73 - HN    LEU   80  10.88 +/- 0.87   0.409% *  0.7683% (0.46   0.02   0.02) =   0.008%
          QG2   VAL   18 - HN    LEU   80  11.99 +/- 0.83   0.207% *  1.1462% (0.69   0.02   0.02) =   0.006%
          QG2   VAL   18 - HN    ALA   34  13.35 +/- 0.59   0.105% *  0.9477% (0.57   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    LEU   80  13.68 +/- 0.81   0.089% *  1.0211% (0.61   0.02   0.02) =   0.002%
          QG1   VAL   41 - HN    LEU   80  15.01 +/- 0.74   0.047% *  1.5750% (0.94   0.02   0.02) =   0.002%
          QD1   ILE   19 - HN    LEU   80  13.46 +/- 0.59   0.102% *  0.4389% (0.26   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    ALA   34  12.69 +/- 0.71   0.133% *  0.2286% (0.14   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ALA   34  16.97 +/- 0.62   0.023% *  0.7916% (0.47   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LEU   80  16.71 +/- 1.03   0.027% *  0.3936% (0.24   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    ALA   34  21.02 +/- 0.95   0.007% *  0.3254% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   80  20.52 +/- 0.78   0.007% *  0.2764% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.848, support = 6.82, residual support = 77.1:
          QD2   LEU   80 - HN    LEU   80   3.60 +/- 0.48  87.360% * 97.2840% (0.85   6.82  77.13) =  99.979%  kept
          QD1   LEU   73 - HN    ALA   34   6.43 +/- 0.62   3.941% *  0.2578% (0.77   0.02   0.02) =   0.012%
          QG1   VAL   83 - HN    LEU   80   5.58 +/- 0.33   8.150% *  0.0793% (0.24   0.02   0.02) =   0.008%
          QD1   LEU   73 - HN    LEU   80   9.82 +/- 0.62   0.252% *  0.3118% (0.93   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    ALA   34  12.12 +/- 0.68   0.077% *  0.2359% (0.70   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  11.85 +/- 0.91   0.084% *  0.1807% (0.54   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  15.76 +/- 1.25   0.015% *  0.3118% (0.93   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  15.26 +/- 0.90   0.018% *  0.2578% (0.77   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   34  12.83 +/- 1.12   0.058% *  0.0656% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  14.58 +/- 1.14   0.025% *  0.1179% (0.35   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  19.37 +/- 1.47   0.005% *  0.2936% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  17.27 +/- 1.10   0.009% *  0.1426% (0.42   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  19.81 +/- 1.22   0.004% *  0.2185% (0.65   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  21.19 +/- 1.97   0.003% *  0.2428% (0.72   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1316 (0.46, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 0.245, residual support = 0.491:
          QG1   VAL   75 - HN    LEU   80   3.71 +/- 0.44  99.938% * 86.0733% (0.46   0.25   0.49) =  99.996%  kept
          QG1   VAL   75 - HN    ALA   34  13.60 +/- 0.43   0.050% *  5.8003% (0.38   0.02   0.02) =   0.003%
          QD1   LEU  115 - HN    LEU   80  18.84 +/- 1.61   0.008% *  4.4484% (0.29   0.02   0.02) =   0.000%
          QD1   LEU  115 - HN    ALA   34  21.93 +/- 1.90   0.004% *  3.6780% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.01 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1317 (4.12, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.624, support = 3.53, residual support = 25.6:
      O   HA    ALA   34 - HN    ALA   34   2.76 +/- 0.02  96.372% * 88.9696% (0.63  10.0   3.54  25.66) =  99.680%  kept
          HA    LYS+  81 - HN    LEU   80   4.98 +/- 0.12   2.839% *  9.6898% (0.29   1.0   4.67  29.47) =   0.320%
          HA    ASN   28 - HN    ALA   34   7.81 +/- 0.23   0.192% *  0.1051% (0.74   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   34   6.85 +/- 0.06   0.415% *  0.0247% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34  10.62 +/- 2.37   0.106% *  0.0674% (0.47   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  12.40 +/- 0.58   0.012% *  0.1271% (0.89   1.0   0.02   1.71) =   0.000%
          HA    THR   26 - HN    ALA   34  10.10 +/- 0.49   0.043% *  0.0195% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  11.64 +/- 0.35   0.018% *  0.0235% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   80  18.68 +/- 1.45   0.001% *  0.1122% (0.79   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  20.45 +/- 0.62   0.001% *  0.1076% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  21.69 +/- 0.77   0.000% *  0.1241% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  22.25 +/- 2.94   0.001% *  0.0815% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  23.76 +/- 1.32   0.000% *  0.1026% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  24.81 +/- 2.21   0.000% *  0.0807% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  21.47 +/- 0.71   0.000% *  0.0343% (0.24   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  24.98 +/- 1.38   0.000% *  0.0602% (0.42   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  28.23 +/- 1.67   0.000% *  0.0928% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  26.50 +/- 1.27   0.000% *  0.0498% (0.35   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  25.02 +/- 0.56   0.000% *  0.0299% (0.21   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  32.70 +/- 1.22   0.000% *  0.0976% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.59, support = 1.76, residual support = 4.71:
          HA    LEU   31 - HN    ALA   34   2.98 +/- 0.16  83.696% * 83.9468% (0.60   1.80   4.85) =  96.752%  kept
          HA    THR   77 - HN    LEU   80   4.11 +/- 0.70  16.300% * 14.4686% (0.36   0.52   0.52) =   3.248%  kept
          HA    LEU   31 - HN    LEU   80  16.27 +/- 0.54   0.003% *  1.1270% (0.72   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  20.29 +/- 0.57   0.001% *  0.4576% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.636, support = 3.86, residual support = 18.5:
          HB2   ASP-  76 - HN    LEU   80   4.27 +/- 0.38  62.817% * 19.6332% (0.57   2.85   3.05) =  47.154%  kept
          QE    LYS+  33 - HN    ALA   34   5.03 +/- 0.50  26.700% * 36.9470% (0.60   5.15  44.16) =  37.717%  kept
          HB2   ASP-  78 - HN    LEU   80   5.94 +/- 0.47   9.383% * 42.1597% (0.93   3.78   2.40) =  15.125%  kept
          HB2   ASN   28 - HN    ALA   34   9.58 +/- 0.37   0.491% *  0.1216% (0.51   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    LEU   80  10.13 +/- 0.43   0.362% *  0.0632% (0.26   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    LEU   80  12.39 +/- 0.48   0.106% *  0.1470% (0.61   0.02   1.71) =   0.001%
          HB2   ASN   69 - HN    ALA   34  13.30 +/- 1.21   0.082% *  0.0915% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    LEU   80  17.59 +/- 1.32   0.014% *  0.1737% (0.72   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  16.56 +/- 0.98   0.019% *  0.0522% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  19.29 +/- 0.85   0.007% *  0.1140% (0.47   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  19.98 +/- 1.93   0.008% *  0.0915% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  20.77 +/- 2.31   0.006% *  0.1106% (0.46   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  23.54 +/- 0.66   0.002% *  0.1842% (0.77   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  25.77 +/- 0.81   0.001% *  0.1106% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1320 (2.33, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.46, support = 5.43, residual support = 48.9:
          HB2   GLU-  79 - HN    LEU   80   2.56 +/- 0.72  99.418% * 95.3362% (0.46   5.43  48.86) =  99.998%  kept
          HG3   GLU-  36 - HN    ALA   34   7.15 +/- 0.34   0.515% *  0.2036% (0.27   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HN    LEU   80  11.02 +/- 0.75   0.044% *  0.7076% (0.93   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  15.43 +/- 0.48   0.005% *  0.5850% (0.77   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  15.71 +/- 1.00   0.004% *  0.6262% (0.82   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  15.44 +/- 2.50   0.010% *  0.2462% (0.32   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  20.51 +/- 1.48   0.001% *  0.2968% (0.39   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  19.46 +/- 0.87   0.001% *  0.2905% (0.38   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  23.12 +/- 0.95   0.000% *  0.2709% (0.36   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  23.23 +/- 1.74   0.000% *  0.2454% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  24.30 +/- 0.67   0.000% *  0.2462% (0.32   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  27.95 +/- 0.89   0.000% *  0.5177% (0.68   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  26.43 +/- 0.95   0.000% *  0.2240% (0.29   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  26.83 +/- 1.10   0.000% *  0.2036% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.772, support = 6.93, residual support = 43.3:
      O   HA    LYS+  33 - HN    ALA   34   3.59 +/- 0.01  73.818% * 92.2969% (0.78  10.0   6.97  44.16) =  98.136%  kept
          HA    GLN   32 - HN    ALA   34   4.47 +/- 0.15  20.208% *  6.3870% (0.22   1.0   4.98   0.11) =   1.859%  kept
          HB2   SER   82 - HN    LEU   80   7.27 +/- 0.54   1.213% *  0.1001% (0.85   1.0   0.02   0.02) =   0.002%
          HA    GLU-  29 - HN    ALA   34   7.11 +/- 0.42   1.335% *  0.0891% (0.75   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    ALA   34   6.22 +/- 0.43   3.004% *  0.0205% (0.17   1.0   0.02   0.11) =   0.001%
          HA    VAL   70 - HN    ALA   34  10.52 +/- 0.98   0.139% *  0.0801% (0.68   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   80  10.37 +/- 1.21   0.164% *  0.0587% (0.50   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  13.83 +/- 0.64   0.024% *  0.0873% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  12.47 +/- 0.35   0.043% *  0.0345% (0.29   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  15.10 +/- 0.51   0.014% *  0.1056% (0.89   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  15.40 +/- 0.34   0.012% *  0.1077% (0.91   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  15.33 +/- 0.88   0.013% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  20.75 +/- 0.59   0.002% *  0.1116% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  20.64 +/- 1.55   0.002% *  0.0828% (0.70   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  21.30 +/- 0.42   0.002% *  0.0968% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  19.12 +/- 0.53   0.003% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  25.25 +/- 1.06   0.001% *  0.0968% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  25.56 +/- 1.53   0.001% *  0.0801% (0.68   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  22.44 +/- 0.78   0.001% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.50 +/- 0.73   0.001% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  23.73 +/- 0.84   0.001% *  0.0249% (0.21   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  28.10 +/- 0.70   0.000% *  0.0142% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 0.334, support = 0.02, residual support = 0.256:
          HN    GLN   30 - HN    ALA   34   6.29 +/- 0.39  77.810% *  3.3143% (0.17  1.00   0.02   0.44) =  56.339%  kept
          HN    GLU-  29 - HN    ALA   34   8.48 +/- 0.37  12.926% * 11.4785% (0.61  1.00   0.02   0.02) =  32.414%  kept
          HN    ASP-  86 - HN    LEU   80   9.60 +/- 0.23   6.425% *  3.7738% (0.20  1.00   0.02   0.02) =   5.297%  kept
          HN    GLU-  29 - HN    LEU   80  12.72 +/- 0.35   1.218% * 10.2810% (0.54  1.00   0.02   0.02) =   2.736%  kept
        T HN    ASP-  86 - HN    ALA   34  18.87 +/- 0.98   0.114% * 42.1332% (0.22 10.00   0.02   0.02) =   1.047%  kept
          HN    VAL   18 - HN    ALA   34  16.19 +/- 0.63   0.300% * 13.7422% (0.72  1.00   0.02   0.02) =   0.901%  kept
          HN    VAL   18 - HN    LEU   80  16.67 +/- 0.61   0.237% * 12.3085% (0.65  1.00   0.02   0.02) =   0.637%  kept
          HN    GLN   30 - HN    LEU   80  13.21 +/- 0.44   0.970% *  2.9685% (0.16  1.00   0.02   0.02) =   0.629%  kept
    Distance limit 3.67 A violated in 20 structures by 2.36 A, eliminated.
    Peak unassigned.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.241, support = 0.02, residual support = 0.237:
          HN    GLN   30 - HN    ALA   34   6.29 +/- 0.39  77.810% *  2.6057% (0.11  1.00   0.02   0.44) =  51.887%  kept
          HN    GLU-  29 - HN    ALA   34   8.48 +/- 0.37  12.926% * 10.1298% (0.41  1.00   0.02   0.02) =  33.510%  kept
          HN    ASP-  86 - HN    LEU   80   9.60 +/- 0.23   6.425% *  4.0782% (0.17  1.00   0.02   0.02) =   6.706%  kept
          HN    GLU-  29 - HN    LEU   80  12.72 +/- 0.35   1.218% * 12.2517% (0.50  1.00   0.02   0.02) =   3.820%  kept
          HN    VAL   18 - HN    ALA   34  16.19 +/- 0.63   0.300% * 15.4172% (0.63  1.00   0.02   0.02) =   1.183%  kept
          HN    VAL   18 - HN    LEU   80  16.67 +/- 0.61   0.237% * 18.6466% (0.76  1.00   0.02   0.02) =   1.130%  kept
        T HN    ASP-  86 - HN    ALA   34  18.87 +/- 0.98   0.114% * 33.7193% (0.14 10.00   0.02   0.02) =   0.981%  kept
          HN    GLN   30 - HN    LEU   80  13.21 +/- 0.44   0.970% *  3.1515% (0.13  1.00   0.02   0.02) =   0.782%  kept
    Distance limit 3.65 A violated in 20 structures by 2.39 A, eliminated.
    Peak unassigned.
 
    Peak 1325 (8.38, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 4.04, residual support = 18.8:
        T HN    ASN   35 - HN    ALA   34   2.70 +/- 0.05  99.992% * 98.3004% (0.54 10.00   4.04  18.77) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  20.56 +/- 0.55   0.001% *  1.1889% (0.65 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  18.04 +/- 2.74   0.002% *  0.1428% (0.78  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.70 +/- 0.45   0.004% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  17.78 +/- 0.54   0.001% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  23.16 +/- 0.81   0.000% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  28.54 +/- 1.72   0.000% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  26.23 +/- 1.15   0.000% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 5.13, residual support = 29.5:
          HN    LYS+  81 - HN    LEU   80   3.60 +/- 0.20  98.956% * 98.6449% (0.94   5.13  29.47) =  99.999%  kept
          HE3   TRP   27 - HN    ALA   34   8.35 +/- 1.06   0.777% *  0.0495% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    LEU   80  13.79 +/- 0.85   0.037% *  0.3481% (0.85   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    LEU   80  10.67 +/- 0.99   0.210% *  0.0599% (0.15   0.02   8.95) =   0.000%
          QD    PHE   60 - HN    ALA   34  16.76 +/- 1.10   0.011% *  0.2878% (0.70   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  20.79 +/- 0.76   0.003% *  0.3181% (0.78   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  19.38 +/- 0.89   0.004% *  0.1320% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  23.12 +/- 0.82   0.002% *  0.1596% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1327 (1.34, 8.16, 121.97 ppm):
    13 chemical-shift based assignments, quality = 0.623, support = 1.51, residual support = 2.22:
          HG2   LYS+ 111 - HN    GLU- 114   4.50 +/- 1.06  67.798% * 59.9033% (0.73   1.23   2.45) =  81.947%  kept
          HB2   LYS+ 112 - HN    GLU- 114   5.41 +/- 0.35  30.623% * 29.1656% (0.15   2.82   1.19) =  18.021%  kept
          HB3   PRO   93 - HN    GLU- 114  10.26 +/- 1.03   1.038% *  1.0259% (0.76   0.02   0.02) =   0.021%
          HB2   LEU   63 - HN    GLU- 114  13.21 +/- 1.44   0.156% *  1.3158% (0.98   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HN    GLU- 114  14.94 +/- 1.05   0.074% *  1.3424% (1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    GLU- 114  12.45 +/- 0.99   0.205% *  0.2989% (0.22   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    GLU- 114  16.03 +/- 0.80   0.043% *  1.2955% (0.97   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    GLU- 114  17.41 +/- 0.95   0.031% *  1.0749% (0.80   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    GLU- 114  18.64 +/- 1.15   0.018% *  1.2039% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLU- 114  23.53 +/- 1.22   0.005% *  1.2392% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLU- 114  22.37 +/- 1.32   0.006% *  0.6018% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    GLU- 114  27.35 +/- 1.32   0.002% *  1.0749% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    GLU- 114  30.02 +/- 1.35   0.001% *  0.4579% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   1094
      with diagonal assignment               :    129
      without assignment possibility         :      2
      with one assignment possibility        :     46
      with multiple assignment possibilities :    917
      with given assignment possibilities    :      0
      with unique volume contribution        :    660
      with multiple volume contributions     :    303
      eliminated by violation filter         :     42
 
    Peaks:
      selected                               :   1094
      without assignment                     :     54
      with assignment                        :   1040
      with unique assignment                 :    758
      with multiple assignment               :    282
      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             :    911
 
    Atoms with eliminated volume contribution > 2.5:
    HN    ALA   34       2.6
    HN    ASP-  44       3.0
    HN    ASP-  62       2.7
 
    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 = 0.562, support = 3.25, residual support = 47.0:
      O T HB2   GLU-  14 - HA    GLU-  14   2.78 +/- 0.17  86.690% * 27.7351% (0.39  10.0 10.00   2.96  48.38) =  72.043%  kept
    * O T HG2   MET   11 - HA    MET   11   3.94 +/- 0.36  13.171% * 70.8328% (1.00  10.0 10.00   4.00  43.35) =  27.955%  kept
        T HB2   GLU-  14 - HA    MET   11  10.34 +/- 1.39   0.050% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HA    GLU-  14  10.69 +/- 1.00   0.034% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  11.64 +/- 3.07   0.053% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  19.05 +/- 3.32   0.002% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  23.39 +/- 1.33   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  27.81 +/- 1.97   0.000% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  32.69 +/- 2.16   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  24.13 +/- 1.17   0.000% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  36.98 +/- 2.75   0.000% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  29.23 +/- 2.09   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  38.31 +/- 2.50   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  33.43 +/- 1.33   0.000% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  27.65 +/- 0.94   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  36.32 +/- 1.47   0.000% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 5 (1.92, 4.29, 56.56 ppm):
    14 chemical-shift based assignments, quality = 0.702, support = 3.51, residual support = 45.7:
    * O T HG3   MET   11 - HA    MET   11   3.43 +/- 0.57  29.204% * 72.0852% (1.00  10.0 10.00   4.00  43.35) =  52.666%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.85 +/- 0.18  70.706% * 26.7596% (0.37  10.0 10.00   2.96  48.38) =  47.333%  kept
        T HB3   GLU-  14 - HA    MET   11  10.70 +/- 1.04   0.037% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   MET   11 - HA    GLU-  14  10.44 +/- 0.88   0.043% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  14.29 +/- 1.25   0.005% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  16.27 +/- 1.54   0.002% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  20.32 +/- 2.41   0.001% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  22.71 +/- 2.88   0.000% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  21.56 +/- 1.08   0.000% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  21.70 +/- 1.58   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  29.69 +/- 2.13   0.000% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  30.90 +/- 2.58   0.000% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  28.89 +/- 1.58   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  37.85 +/- 2.46   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 6 (4.29, 2.08, 30.22 ppm):
    36 chemical-shift based assignments, quality = 0.576, support = 3.47, residual support = 45.4:
    * O T HA    MET   11 - HG2   MET   11   3.94 +/- 0.36  12.526% * 80.1665% (1.00  10.0 10.00   4.00  43.35) =  49.386%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.78 +/- 0.17  81.321% * 12.3418% (0.15  10.0 10.00   2.96  48.38) =  49.359%  kept
          HA    ALA   12 - HG2   MET   11   4.81 +/- 0.75   4.225% *  6.0308% (0.53   1.0  1.00   2.86  12.19) =   1.253%  kept
        T HA    MET   11 - HB2   GLU-  14  10.34 +/- 1.39   0.046% *  0.3002% (0.37   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  14 - HG2   MET   11  10.69 +/- 1.00   0.031% *  0.3296% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   12 - HB2   GLU-  14   7.58 +/- 1.15   0.384% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ARG+  54   6.02 +/- 0.79   1.226% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   7.87 +/- 0.96   0.223% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  14.08 +/- 1.55   0.007% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  19.86 +/- 3.01   0.001% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  18.52 +/- 1.41   0.001% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.84 +/- 1.41   0.003% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  16.07 +/- 1.18   0.003% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  22.90 +/- 1.55   0.000% *  0.0277% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  28.35 +/- 1.71   0.000% *  0.0800% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  25.40 +/- 1.43   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  23.81 +/- 1.43   0.000% *  0.0170% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  30.93 +/- 2.39   0.000% *  0.0740% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  27.81 +/- 1.97   0.000% *  0.0319% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.29 +/- 1.49   0.000% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  21.17 +/- 1.24   0.000% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  21.23 +/- 1.61   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  29.20 +/- 1.48   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  35.05 +/- 1.98   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  32.67 +/- 2.38   0.000% *  0.0454% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  36.98 +/- 2.75   0.000% *  0.0775% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  27.98 +/- 1.71   0.000% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  38.55 +/- 2.24   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  26.05 +/- 0.90   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  30.54 +/- 2.32   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  36.88 +/- 2.59   0.000% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  30.17 +/- 1.62   0.000% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  25.59 +/- 1.26   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  39.64 +/- 2.81   0.000% *  0.0301% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  30.66 +/- 1.39   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  34.03 +/- 2.32   0.000% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.904, support = 3.29, residual support = 44.0:
    * O T QB    MET   11 - HG2   MET   11   2.25 +/- 0.13  60.296% * 80.4450% (1.00  10.0 10.00   3.31  43.35) =  87.871%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.43 +/- 0.14  39.250% * 17.0553% (0.21  10.0 10.00   3.17  48.38) =  12.127%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.39 +/- 0.58   0.403% *  0.2188% (0.27   1.0 10.00   0.02   1.00) =   0.002%
        T QB    MET   11 - HB2   GLU-  14   9.60 +/- 1.40   0.016% *  0.3012% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HG2   MET   11   9.94 +/- 1.02   0.010% *  0.4554% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  12.23 +/- 1.47   0.004% *  0.5842% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   MET   11  18.75 +/- 4.21   0.001% *  0.3019% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   GLU-  14  15.63 +/- 1.91   0.001% *  0.1131% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  11.16 +/- 1.46   0.006% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  10.51 +/- 1.38   0.009% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  16.32 +/- 1.52   0.001% *  0.0183% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.76 +/- 0.97   0.001% *  0.0120% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  20.97 +/- 1.30   0.000% *  0.0392% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  15.44 +/- 1.28   0.001% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  14.10 +/- 1.46   0.001% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  23.71 +/- 1.43   0.000% *  0.0565% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  15.90 +/- 1.43   0.001% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  24.98 +/- 1.71   0.000% *  0.0440% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  26.27 +/- 1.82   0.000% *  0.0488% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  21.19 +/- 1.37   0.000% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  19.14 +/- 1.54   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  33.25 +/- 2.49   0.000% *  0.0778% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  25.34 +/- 2.02   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  22.72 +/- 1.22   0.000% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  30.23 +/- 2.28   0.000% *  0.0201% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  26.22 +/- 1.65   0.000% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  20.31 +/- 1.66   0.000% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  33.91 +/- 2.24   0.000% *  0.0331% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  28.91 +/- 1.96   0.000% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  34.19 +/- 1.65   0.000% *  0.0248% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  31.35 +/- 1.59   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  37.11 +/- 1.81   0.000% *  0.0292% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  38.70 +/- 2.23   0.000% *  0.0302% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 9 (2.08, 2.08, 30.22 ppm):
    3 diagonal assignments:
    *     HG2   MET   11 - HG2   MET   11  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 10 (1.92, 2.08, 30.22 ppm):
    21 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 44.7:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  49.996% * 72.5786% (1.00  10.0 10.00   4.00  43.35) =  73.842%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  49.997% * 25.7103% (0.35  10.0 10.00   3.00  48.38) =  26.158%  kept
        T HB3   GLU-  14 - HG2   MET   11  11.38 +/- 1.59   0.001% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   GLU-  14  10.71 +/- 1.72   0.003% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54  10.17 +/- 1.40   0.002% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  12.93 +/- 1.45   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  11.32 +/- 1.29   0.001% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  22.64 +/- 1.30   0.000% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  16.26 +/- 1.75   0.000% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG2   MET   11  30.99 +/- 2.73   0.000% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  21.13 +/- 1.37   0.000% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  23.16 +/- 2.63   0.000% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  21.33 +/- 2.30   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  27.97 +/- 1.88   0.000% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  20.02 +/- 1.13   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  30.43 +/- 2.00   0.000% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  26.51 +/- 1.52   0.000% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  37.28 +/- 2.89   0.000% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  28.70 +/- 2.02   0.000% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  38.50 +/- 2.28   0.000% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  27.68 +/- 1.22   0.000% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 11 (4.29, 1.92, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.778, support = 3.72, residual support = 44.0:
    * O T HA    MET   11 - HG3   MET   11   3.43 +/- 0.57  26.969% * 80.8113% (1.00  10.0 10.00   4.00  43.35) =  73.108%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.85 +/- 0.18  62.861% * 11.7950% (0.15  10.0 10.00   2.96  48.38) =  24.872%  kept
          HA    ALA   12 - HG3   MET   11   4.21 +/- 0.65   9.855% *  6.1079% (0.53   1.0  1.00   2.87  12.19) =   2.019%  kept
        T HA    GLU-  14 - HG3   MET   11  10.44 +/- 0.88   0.037% *  0.3322% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB3   GLU-  14  10.70 +/- 1.04   0.032% *  0.2869% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   GLU-  14   7.92 +/- 1.05   0.235% *  0.0151% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  14  13.70 +/- 1.54   0.007% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  19.91 +/- 2.98   0.001% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  18.12 +/- 1.14   0.001% *  0.0286% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  22.44 +/- 1.53   0.000% *  0.0265% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  28.29 +/- 1.67   0.000% *  0.0806% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  25.06 +/- 1.15   0.000% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  23.52 +/- 1.51   0.000% *  0.0162% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  30.97 +/- 2.38   0.000% *  0.0746% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  20.90 +/- 1.35   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  28.81 +/- 1.37   0.000% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  34.93 +/- 1.83   0.000% *  0.0792% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  32.48 +/- 2.12   0.000% *  0.0458% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  27.58 +/- 1.72   0.000% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  38.46 +/- 2.10   0.000% *  0.0792% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  30.48 +/- 2.26   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  36.80 +/- 2.45   0.000% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  29.89 +/- 1.55   0.000% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  39.55 +/- 2.66   0.000% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 12 (2.29, 1.92, 30.22 ppm):
    22 chemical-shift based assignments, quality = 0.808, support = 3.28, residual support = 44.6:
    * O T QB    MET   11 - HG3   MET   11   2.50 +/- 0.12  38.503% * 81.3901% (1.00  10.0 10.00   3.31  43.35) =  75.972%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.31 +/- 0.14  60.572% * 16.3595% (0.20  10.0 10.00   3.17  48.38) =  24.023%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.18 +/- 0.74   0.885% *  0.2098% (0.26   1.0 10.00   0.02   1.00) =   0.005%
        T QG    GLU-  14 - HG3   MET   11   9.61 +/- 0.88   0.014% *  0.4608% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  14   9.91 +/- 1.04   0.012% *  0.2890% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG3   MET   11  12.18 +/- 1.71   0.005% *  0.5910% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   MET   11  18.72 +/- 3.98   0.001% *  0.3055% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  14  10.79 +/- 1.16   0.008% *  0.0141% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB3   GLU-  14  15.38 +/- 1.70   0.001% *  0.1084% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  15.96 +/- 1.23   0.001% *  0.0175% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  20.89 +/- 1.29   0.000% *  0.0396% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  26.20 +/- 1.75   0.000% *  0.0494% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  20.89 +/- 1.43   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  24.99 +/- 1.89   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  22.38 +/- 1.37   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  25.86 +/- 1.71   0.000% *  0.0089% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  30.04 +/- 2.04   0.000% *  0.0203% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  33.84 +/- 2.28   0.000% *  0.0335% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  28.58 +/- 1.79   0.000% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  34.24 +/- 1.59   0.000% *  0.0251% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  31.40 +/- 1.44   0.000% *  0.0126% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  38.66 +/- 2.24   0.000% *  0.0305% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 44.7:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.997% * 71.8618% (1.00  10.0 10.00   4.00  43.35) =  73.842%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.998% * 25.4564% (0.35  10.0 10.00   3.00  48.38) =  26.158%  kept
        T HB2   GLU-  14 - HG3   MET   11  10.71 +/- 1.72   0.003% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   GLU-  14  11.38 +/- 1.59   0.001% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  12.59 +/- 2.94   0.001% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  19.05 +/- 3.27   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   MET   11  32.83 +/- 2.33   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  38.83 +/- 2.66   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  23.96 +/- 1.23   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  27.97 +/- 1.88   0.000% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  23.86 +/- 1.21   0.000% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  37.28 +/- 2.89   0.000% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  28.85 +/- 2.01   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  33.87 +/- 1.78   0.000% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  27.07 +/- 1.34   0.000% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  36.97 +/- 1.49   0.000% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 15 (1.92, 1.92, 30.22 ppm):
    2 diagonal assignments:
    *     HG3   MET   11 - HG3   MET   11  (1.00)  kept
          HB3   GLU-  14 - HB3   GLU-  14  (0.34)  kept
 
    Peak 16 (4.29, 2.29, 36.10 ppm):
    48 chemical-shift based assignments, quality = 0.888, support = 3.38, residual support = 44.0:
    * O T HA    MET   11 - QB    MET   11   2.28 +/- 0.13  46.091% * 85.1002% (1.00  10.0 10.00   3.37  43.35) =  87.024%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.29 +/- 0.42  51.498% * 11.3536% (0.13  10.0 10.00   3.38  48.38) =  12.972%  kept
          HA    ALA   12 - QB    MET   11   4.15 +/- 0.18   1.507% *  0.0448% (0.53   1.0  1.00   0.02  12.19) =   0.001%
        T HA    GLU-  14 - QG    GLU-  15   4.85 +/- 0.57   0.718% *  0.0843% (0.10   1.0 10.00   0.02   1.00) =   0.001%
        T HA    MET   11 - QG    GLU-  14   9.43 +/- 1.30   0.020% *  0.2762% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   9.43 +/- 0.77   0.011% *  0.3499% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  14   6.89 +/- 0.79   0.079% *  0.0145% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  11.94 +/- 1.43   0.003% *  0.2052% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.22 +/- 1.70   0.040% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  14.52 +/- 1.36   0.001% *  0.2047% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  15   9.31 +/- 1.52   0.017% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  16.72 +/- 1.43   0.000% *  0.2756% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  10.81 +/- 1.25   0.007% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  13.31 +/- 1.50   0.002% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  25.12 +/- 1.42   0.000% *  0.8491% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  17.57 +/- 2.68   0.000% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  17.70 +/- 3.91   0.001% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  17.47 +/- 3.61   0.001% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  17.14 +/- 1.43   0.000% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - QB    MET   11  28.85 +/- 1.96   0.000% *  0.4818% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  20.96 +/- 1.63   0.000% *  0.0255% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  16.93 +/- 1.84   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  22.59 +/- 1.37   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  27.41 +/- 2.10   0.000% *  0.0786% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  21.06 +/- 1.70   0.000% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  19.49 +/- 0.75   0.000% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.33 +/- 1.25   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  26.90 +/- 0.74   0.000% *  0.0600% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  17.03 +/- 0.95   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  18.80 +/- 1.46   0.000% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  22.28 +/- 1.32   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  26.19 +/- 1.65   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  31.04 +/- 1.75   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  22.24 +/- 0.68   0.000% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  25.12 +/- 1.44   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  25.20 +/- 1.88   0.000% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  23.96 +/- 1.58   0.000% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  34.11 +/- 1.91   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  32.59 +/- 2.28   0.000% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  27.18 +/- 1.78   0.000% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  26.73 +/- 1.68   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  25.88 +/- 0.96   0.000% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  24.60 +/- 1.32   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  28.11 +/- 0.98   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  28.84 +/- 0.75   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  35.23 +/- 2.27   0.000% *  0.0319% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  29.97 +/- 1.60   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  37.56 +/- 1.11   0.000% *  0.0040% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.882, support = 3.29, residual support = 44.2:
    * O T HG2   MET   11 - QB    MET   11   2.25 +/- 0.13  60.059% * 73.8446% (1.00  10.0 10.00   3.31  43.35) =  82.580%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.43 +/- 0.14  39.123% * 23.9110% (0.32  10.0 10.00   3.17  48.38) =  17.418%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.39 +/- 0.58   0.402% *  0.1776% (0.24   1.0 10.00   0.02   1.00) =   0.001%
        T HB2   GLU-  14 - QB    MET   11   9.60 +/- 1.40   0.016% *  0.7368% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  14   9.94 +/- 1.02   0.010% *  0.2396% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  15   6.87 +/- 2.02   0.376% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  15  12.23 +/- 1.47   0.004% *  0.1780% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HG3   GLU-  36  15.63 +/- 1.91   0.001% *  0.0918% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HG3   GLU-  36  18.75 +/- 4.21   0.001% *  0.0920% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  11.89 +/- 2.76   0.007% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  16.96 +/- 2.84   0.001% *  0.0205% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  18.92 +/- 0.92   0.000% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  21.55 +/- 1.19   0.000% *  0.0235% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  24.98 +/- 1.71   0.000% *  0.0420% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  23.71 +/- 1.43   0.000% *  0.0312% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  19.48 +/- 1.11   0.000% *  0.0073% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  29.30 +/- 1.90   0.000% *  0.0724% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  21.64 +/- 1.49   0.000% *  0.0099% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  33.25 +/- 2.49   0.000% *  0.1293% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  25.97 +/- 2.10   0.000% *  0.0235% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  24.59 +/- 1.22   0.000% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  33.25 +/- 1.46   0.000% *  0.0902% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  35.01 +/- 1.60   0.000% *  0.0902% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  20.17 +/- 2.28   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  34.54 +/- 2.26   0.000% *  0.0724% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  30.14 +/- 1.26   0.000% *  0.0304% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  21.85 +/- 1.57   0.000% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  24.77 +/- 1.50   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  32.80 +/- 1.31   0.000% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  37.11 +/- 1.81   0.000% *  0.0161% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  29.62 +/- 0.80   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  28.83 +/- 0.80   0.000% *  0.0012% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 20 (1.92, 2.29, 36.10 ppm):
    28 chemical-shift based assignments, quality = 0.774, support = 3.26, residual support = 45.0:
    * O T HG3   MET   11 - QB    MET   11   2.50 +/- 0.12  38.494% * 75.1074% (1.00  10.0 10.00   3.31  43.35) =  67.430%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.31 +/- 0.14  60.560% * 23.0568% (0.31  10.0 10.00   3.17  48.38) =  32.566%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.18 +/- 0.74   0.885% *  0.1713% (0.23   1.0 10.00   0.02   1.00) =   0.004%
        T HB3   GLU-  14 - QB    MET   11   9.91 +/- 1.04   0.012% *  0.7105% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  14   9.61 +/- 0.88   0.014% *  0.2437% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  12.18 +/- 1.71   0.005% *  0.1811% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HG3   GLU-  36  15.38 +/- 1.70   0.001% *  0.0885% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  10.55 +/- 1.65   0.010% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   GLU-  36  18.72 +/- 3.98   0.001% *  0.0936% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  11.92 +/- 1.78   0.005% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  11.47 +/- 1.65   0.006% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.18 +/- 1.65   0.001% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  16.48 +/- 1.55   0.001% *  0.0124% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  11.68 +/- 0.61   0.004% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  18.72 +/- 2.10   0.000% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  20.54 +/- 2.39   0.000% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  19.16 +/- 1.40   0.000% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  14.83 +/- 1.04   0.001% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  23.91 +/- 1.42   0.000% *  0.0503% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  17.67 +/- 1.02   0.000% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  25.63 +/- 1.72   0.000% *  0.0678% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  20.12 +/- 1.30   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  26.93 +/- 1.87   0.000% *  0.0516% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  27.67 +/- 2.25   0.000% *  0.0337% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  21.18 +/- 0.81   0.000% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  34.16 +/- 2.17   0.000% *  0.0209% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  32.67 +/- 1.35   0.000% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  32.92 +/- 0.93   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 12.3:
    * O T QB    ALA   12 - HA    ALA   12   2.13 +/- 0.02  99.998% * 99.1918% (0.82  10.0 10.00   2.00  12.31) = 100.000%  kept
          HG3   LYS+  33 - HA    ALA   12  15.64 +/- 2.56   0.001% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  19.14 +/- 2.27   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  19.77 +/- 1.88   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  19.51 +/- 1.46   0.000% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  20.60 +/- 1.52   0.000% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  22.50 +/- 1.89   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  30.40 +/- 1.93   0.000% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  29.57 +/- 3.63   0.000% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  30.97 +/- 2.11   0.000% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  27.75 +/- 1.91   0.000% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  36.52 +/- 2.22   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  30.43 +/- 1.42   0.000% *  0.0142% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 28 (4.31, 1.39, 19.22 ppm):
    9 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.3:
    * O T HA    ALA   12 - QB    ALA   12   2.13 +/- 0.02  96.793% * 99.5569% (0.82  10.0 10.00   2.00  12.31) =  99.999%  kept
          HA    MET   11 - QB    ALA   12   3.83 +/- 0.18   2.935% *  0.0286% (0.24   1.0  1.00   0.02  12.19) =   0.001%
          HA    GLU-  14 - QB    ALA   12   5.86 +/- 0.62   0.272% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    ALA   12  25.02 +/- 1.81   0.000% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  20.68 +/- 1.16   0.000% *  0.0256% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  28.13 +/- 2.04   0.000% *  0.1029% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  27.43 +/- 1.69   0.000% *  0.0286% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  26.26 +/- 1.41   0.000% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  29.32 +/- 1.63   0.000% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.918, support = 2.04, residual support = 10.5:
    * O T QB    SER   13 - HA    SER   13   2.44 +/- 0.15  71.490% * 64.9056% (1.00  10.0 10.00   1.93   7.27) =  83.519%  kept
      O T HB3   SER   37 - HA    SER   37   2.88 +/- 0.20  27.908% * 32.8086% (0.51  10.0 10.00   2.56  26.81) =  16.480%  kept
          HB    THR   39 - HA    SER   37   5.87 +/- 0.58   0.456% *  0.0346% (0.53   1.0  1.00   0.02   2.99) =   0.000%
        T HB3   SER   37 - HA    SER   13  12.38 +/- 2.64   0.015% *  0.6140% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    SER   37  12.43 +/- 3.01   0.012% *  0.3468% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46   8.84 +/- 1.09   0.055% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    THR   46   8.74 +/- 0.66   0.039% *  0.0134% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  12.85 +/- 2.38   0.008% *  0.0648% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  10.86 +/- 0.56   0.010% *  0.0096% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  14.19 +/- 1.93   0.003% *  0.0180% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  13.94 +/- 0.98   0.002% *  0.0238% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  22.71 +/- 1.08   0.000% *  0.3928% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.86 +/- 0.33   0.001% *  0.0341% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  24.34 +/- 0.68   0.000% *  0.3716% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.44 +/- 0.73   0.000% *  0.0392% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  19.24 +/- 0.36   0.000% *  0.0109% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  26.86 +/- 1.50   0.000% *  0.0394% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  29.66 +/- 2.14   0.000% *  0.0563% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  29.99 +/- 1.40   0.000% *  0.0614% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  26.73 +/- 1.71   0.000% *  0.0301% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  25.30 +/- 0.96   0.000% *  0.0210% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  27.68 +/- 0.50   0.000% *  0.0328% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  33.16 +/- 1.47   0.000% *  0.0221% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  35.39 +/- 0.61   0.000% *  0.0118% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 32 (4.41, 3.86, 64.22 ppm):
    22 chemical-shift based assignments, quality = 0.919, support = 2.04, residual support = 10.6:
    * O T HA    SER   13 - QB    SER   13   2.44 +/- 0.15  71.460% * 63.8850% (1.00  10.0 10.00   1.93   7.27) =  82.877%  kept
      O T HA    SER   37 - HB3   SER   37   2.88 +/- 0.20  27.901% * 33.8056% (0.53  10.0 10.00   2.56  26.81) =  17.123%  kept
          HA    GLU-  15 - QB    SER   13   6.60 +/- 0.64   0.225% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  12.38 +/- 2.64   0.015% *  0.5971% (0.93   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  12.43 +/- 3.01   0.012% *  0.3617% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   SER   37   6.17 +/- 0.37   0.307% *  0.0133% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   8.56 +/- 0.43   0.043% *  0.0565% (0.88   1.0  1.00   0.02   0.14) =   0.000%
          HA    GLU-  15 - HB3   SER   37  11.59 +/- 1.17   0.008% *  0.0597% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  10.70 +/- 1.08   0.013% *  0.0362% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  15.43 +/- 2.03   0.002% *  0.0604% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37  10.72 +/- 0.74   0.011% *  0.0081% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  22.71 +/- 1.08   0.000% *  0.4133% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  24.34 +/- 0.68   0.000% *  0.3863% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  16.52 +/- 1.10   0.001% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  16.53 +/- 2.41   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  20.43 +/- 1.80   0.000% *  0.0637% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  17.65 +/- 2.02   0.001% *  0.0086% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  20.57 +/- 1.94   0.000% *  0.0218% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  22.32 +/- 2.48   0.000% *  0.0204% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  25.70 +/- 1.06   0.000% *  0.0596% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  24.40 +/- 1.52   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  27.99 +/- 1.65   0.000% *  0.0149% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.966, support = 3.02, residual support = 48.1:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.78 +/- 0.17  86.686% * 70.8449% (1.00  10.0 10.00   2.96  48.38) =  94.384%  kept
      O T HG2   MET   11 - HA    MET   11   3.94 +/- 0.36  13.171% * 27.7398% (0.39  10.0 10.00   4.00  43.35) =   5.615%  kept
        T HG2   MET   11 - HA    GLU-  14  10.69 +/- 1.00   0.034% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    MET   11  10.34 +/- 1.39   0.050% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  11.64 +/- 3.07   0.053% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    GLU-  14  15.91 +/- 1.15   0.003% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  23.39 +/- 1.33   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  19.05 +/- 3.32   0.002% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  27.81 +/- 1.97   0.000% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  18.53 +/- 3.00   0.002% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  24.13 +/- 1.17   0.000% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  29.23 +/- 2.09   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  32.69 +/- 2.16   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  36.98 +/- 2.75   0.000% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  38.31 +/- 2.50   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  33.43 +/- 1.33   0.000% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 36 (2.27, 4.31, 56.62 ppm):
    18 chemical-shift based assignments, quality = 0.871, support = 3.37, residual support = 47.0:
    * O T QG    GLU-  14 - HA    GLU-  14   2.29 +/- 0.42  52.174% * 45.0668% (1.00  10.0 10.00   3.38  48.38) =  82.376%  kept
      O T QB    MET   11 - HA    MET   11   2.28 +/- 0.13  47.049% * 10.0127% (0.22  10.0 10.00   3.37  43.35) =  16.504%  kept
        T QG    GLU-  15 - HA    GLU-  14   4.85 +/- 0.57   0.735% * 43.4925% (0.97   1.0 10.00   2.72   1.00) =   1.120%  kept
        T QG    GLU-  14 - HA    MET   11   9.43 +/- 1.30   0.021% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  14   9.43 +/- 0.77   0.012% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    MET   11  11.94 +/- 1.43   0.003% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  14  11.05 +/- 1.07   0.005% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    GLU-  14  16.54 +/- 1.20   0.000% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  14  16.65 +/- 1.47   0.000% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  25.67 +/- 1.53   0.000% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  22.09 +/- 0.95   0.000% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  20.52 +/- 1.21   0.000% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  25.87 +/- 1.79   0.000% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  20.64 +/- 2.72   0.000% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  29.41 +/- 1.73   0.000% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  33.18 +/- 2.14   0.000% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  31.07 +/- 1.19   0.000% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  38.48 +/- 2.56   0.000% *  0.0039% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (4.31, 2.08, 30.50 ppm):
    30 chemical-shift based assignments, quality = 0.978, support = 2.97, residual support = 48.1:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.78 +/- 0.17  82.541% * 81.8147% (1.00  10.0 10.00   2.96  48.38) =  97.429%  kept
      O T HA    MET   11 - HG2   MET   11   3.94 +/- 0.36  12.679% * 12.5956% (0.15  10.0 10.00   4.00  43.35) =   2.304%  kept
          HA    ALA   12 - HG2   MET   11   4.81 +/- 0.75   4.302% *  4.2941% (0.37   1.0  1.00   2.86  12.19) =   0.267%
          HA    ALA   12 - HB2   GLU-  14   7.58 +/- 1.15   0.391% *  0.0802% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   GLU-  14  10.34 +/- 1.39   0.047% *  0.3364% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HG2   MET   11  10.69 +/- 1.00   0.032% *  0.3064% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  18.52 +/- 1.41   0.001% *  0.0307% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  27.81 +/- 1.97   0.000% *  0.1203% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  16.07 +/- 1.18   0.003% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  25.10 +/- 1.52   0.000% *  0.0655% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.84 +/- 1.41   0.003% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  27.98 +/- 1.71   0.000% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  22.90 +/- 1.55   0.000% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  25.40 +/- 1.43   0.000% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  25.59 +/- 1.26   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  29.20 +/- 1.48   0.000% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.29 +/- 1.49   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  26.97 +/- 1.55   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  26.76 +/- 0.76   0.000% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  28.35 +/- 1.71   0.000% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  32.76 +/- 2.25   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  36.98 +/- 2.75   0.000% *  0.0495% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  36.88 +/- 2.59   0.000% *  0.0304% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  22.93 +/- 1.38   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  30.93 +/- 2.39   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  26.05 +/- 0.90   0.000% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  34.03 +/- 2.32   0.000% *  0.0118% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  35.05 +/- 1.98   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  38.55 +/- 2.24   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  36.15 +/- 2.40   0.000% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.806, support = 3.2, residual support = 47.1:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.43 +/- 0.14  39.251% * 80.2785% (1.00  10.0 10.00   3.17  48.38) =  75.426%  kept
      O T QB    MET   11 - HG2   MET   11   2.25 +/- 0.13  60.297% * 17.0200% (0.21  10.0 10.00   3.31  43.35) =  24.566%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.39 +/- 0.58   0.403% *  0.7747% (0.97   1.0 10.00   0.02   1.00) =   0.007%
        T QB    MET   11 - HB2   GLU-  14   9.60 +/- 1.40   0.016% *  0.4545% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HG2   MET   11   9.94 +/- 1.02   0.010% *  0.3006% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  12.23 +/- 1.47   0.004% *  0.2901% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  11.16 +/- 1.46   0.006% *  0.0796% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.76 +/- 0.97   0.001% *  0.0811% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  16.32 +/- 1.52   0.001% *  0.0801% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  10.32 +/- 1.39   0.009% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU-  14  14.91 +/- 1.58   0.001% *  0.0248% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  15.44 +/- 1.28   0.001% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  15.90 +/- 1.43   0.001% *  0.0114% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  23.71 +/- 1.43   0.000% *  0.1139% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  24.98 +/- 1.71   0.000% *  0.1181% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  22.72 +/- 1.22   0.000% *  0.0551% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  20.97 +/- 1.30   0.000% *  0.0298% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  25.34 +/- 2.02   0.000% *  0.0775% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  19.14 +/- 1.54   0.000% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  21.87 +/- 2.70   0.000% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  26.27 +/- 1.82   0.000% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  33.25 +/- 2.49   0.000% *  0.0668% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  29.27 +/- 2.15   0.000% *  0.0179% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  31.35 +/- 1.59   0.000% *  0.0207% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  33.91 +/- 2.24   0.000% *  0.0290% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  30.27 +/- 1.58   0.000% *  0.0036% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  39.08 +/- 2.46   0.000% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 42 (4.31, 2.27, 36.31 ppm):
    30 chemical-shift based assignments, quality = 0.907, support = 3.38, residual support = 47.8:
    * O T HA    GLU-  14 - QG    GLU-  14   2.29 +/- 0.42  51.510% * 85.4905% (1.00  10.0 10.00   3.38  48.38) =  89.321%  kept
      O T HA    MET   11 - QB    MET   11   2.28 +/- 0.13  46.108% * 11.4057% (0.13  10.0 10.00   3.37  43.35) =  10.667%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.85 +/- 0.57   0.718% *  0.7522% (0.88   1.0 10.00   0.02   1.00) =   0.011%
          HA    ALA   12 - QB    MET   11   4.15 +/- 0.18   1.508% *  0.0272% (0.32   1.0  1.00   0.02  12.19) =   0.001%
        T HA    MET   11 - QG    GLU-  14   9.43 +/- 1.30   0.020% *  0.3515% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  14   6.89 +/- 0.79   0.079% *  0.0838% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   9.43 +/- 0.77   0.011% *  0.2774% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.22 +/- 1.70   0.040% *  0.0737% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  11.94 +/- 1.43   0.003% *  0.3092% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  14.52 +/- 1.36   0.001% *  0.2823% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  16.72 +/- 1.43   0.000% *  0.3209% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  18.51 +/- 1.24   0.000% *  0.0602% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  17.14 +/- 1.43   0.000% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  22.95 +/- 1.58   0.000% *  0.0685% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  23.96 +/- 1.58   0.000% *  0.0746% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  25.12 +/- 1.42   0.000% *  0.1041% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  25.20 +/- 1.88   0.000% *  0.0847% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  20.96 +/- 1.63   0.000% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  22.59 +/- 1.37   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.33 +/- 1.25   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  25.12 +/- 1.44   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  26.19 +/- 1.65   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  22.36 +/- 1.64   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  24.34 +/- 1.55   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  29.08 +/- 2.00   0.000% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  32.59 +/- 2.28   0.000% *  0.0275% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  27.41 +/- 2.10   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  31.04 +/- 1.75   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  34.11 +/- 1.91   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  31.99 +/- 2.09   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.887, support = 3.19, residual support = 47.6:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.31 +/- 0.14  60.570% * 74.4402% (1.00  10.0 10.00   3.17  48.38) =  83.663%  kept
      O T HG3   MET   11 - QB    MET   11   2.50 +/- 0.12  38.501% * 22.8520% (0.31  10.0 10.00   3.31  43.35) =  16.326%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.18 +/- 0.74   0.885% *  0.6550% (0.88   1.0 10.00   0.02   1.00) =   0.011%
        T HG3   MET   11 - QG    GLU-  14   9.61 +/- 0.88   0.014% *  0.7042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  12.18 +/- 1.71   0.005% *  0.6196% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - QB    MET   11   9.91 +/- 1.04   0.012% *  0.2416% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  10.55 +/- 1.65   0.010% *  0.0319% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.18 +/- 1.65   0.001% *  0.0362% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  16.48 +/- 1.55   0.001% *  0.0568% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  19.16 +/- 1.40   0.000% *  0.0646% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  17.67 +/- 1.02   0.000% *  0.0182% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  23.91 +/- 1.42   0.000% *  0.1011% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  25.63 +/- 1.72   0.000% *  0.1149% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  20.12 +/- 1.30   0.000% *  0.0207% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  20.54 +/- 2.39   0.000% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  26.93 +/- 1.87   0.000% *  0.0210% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  27.67 +/- 2.25   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  34.16 +/- 2.17   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (4.41, 4.41, 56.54 ppm):
    3 diagonal assignments:
    *     HA    GLU-  15 - HA    GLU-  15  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.04)  kept
 
    Peak 51 (2.27, 4.41, 56.54 ppm):
    27 chemical-shift based assignments, quality = 0.998, support = 2.09, residual support = 10.5:
    * O T QG    GLU-  15 - HA    GLU-  15   2.59 +/- 0.65  94.284% * 49.8424% (1.00  10.0 10.00   2.06  10.97) =  95.029%  kept
        T QG    GLU-  14 - HA    GLU-  15   4.98 +/- 0.73   5.109% * 48.1014% (0.97   1.0 10.00   2.71   1.00) =   4.970%  kept
          HB3   PHE   72 - HA    GLU-  15   7.33 +/- 0.93   0.466% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    LEU   40  11.01 +/- 1.54   0.028% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  15  12.57 +/- 0.78   0.018% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    LEU   40  15.10 +/- 1.63   0.006% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    LEU   40  11.59 +/- 0.57   0.024% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASN   35  14.03 +/- 1.63   0.006% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  15  13.03 +/- 0.65   0.011% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    LEU   40  20.55 +/- 2.38   0.001% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASN   35  16.42 +/- 1.57   0.004% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LEU   40  13.81 +/- 0.57   0.008% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASN   35  20.08 +/- 3.15   0.002% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  16.08 +/- 1.99   0.004% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  15  15.64 +/- 1.00   0.005% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  18.24 +/- 1.07   0.001% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  15.74 +/- 0.62   0.004% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  20.67 +/- 0.85   0.001% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  16.80 +/- 0.59   0.003% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.87 +/- 0.43   0.012% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  23.15 +/- 1.14   0.000% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  18.87 +/- 0.65   0.001% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  23.43 +/- 0.80   0.000% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  23.54 +/- 2.06   0.000% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  26.16 +/- 1.47   0.000% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  25.16 +/- 0.59   0.000% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  30.19 +/- 0.64   0.000% *  0.0013% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 11.0:
    * O T QB    GLU-  15 - HA    GLU-  15   2.41 +/- 0.17  96.896% * 95.2027% (1.00  10.0 10.00   3.00  10.97) =  99.994%  kept
        T HB2   GLN   17 - HA    GLU-  15   6.20 +/- 0.26   0.378% *  0.9520% (1.00   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   PRO   68 - HA    GLU-  15   9.04 +/- 2.58   0.174% *  0.7623% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    GLU-  15   6.97 +/- 0.79   0.235% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU   40   6.14 +/- 0.76   0.533% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HA    LEU   40  11.36 +/- 1.43   0.011% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ASN   35   6.01 +/- 1.29   1.646% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HA    LEU   40  13.26 +/- 1.34   0.006% *  0.6165% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  15  10.41 +/- 1.68   0.028% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HA    LEU   40  16.94 +/- 0.97   0.001% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  15  11.30 +/- 0.84   0.011% *  0.0391% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU   40  12.83 +/- 2.02   0.008% *  0.0375% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU   40  12.30 +/- 0.83   0.006% *  0.0436% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU   40  10.67 +/- 0.84   0.015% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU   40  12.68 +/- 0.89   0.006% *  0.0317% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  11.56 +/- 1.35   0.010% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.73 +/- 0.54   0.008% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35  10.39 +/- 0.53   0.017% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  14.40 +/- 1.48   0.003% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  18.23 +/- 1.42   0.001% *  0.0498% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  19.84 +/- 0.70   0.000% *  0.0901% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  20.31 +/- 0.51   0.000% *  0.0728% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  15.00 +/- 0.49   0.002% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  17.41 +/- 2.01   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  23.10 +/- 1.98   0.000% *  0.0763% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  18.23 +/- 1.47   0.001% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  22.32 +/- 1.39   0.000% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  18.37 +/- 0.66   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  19.18 +/- 1.32   0.000% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  19.22 +/- 1.10   0.000% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  26.67 +/- 1.18   0.000% *  0.0944% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  21.00 +/- 0.76   0.000% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  19.19 +/- 1.55   0.000% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  24.27 +/- 1.54   0.000% *  0.0114% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  29.76 +/- 1.95   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  25.05 +/- 2.06   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 53 (4.41, 2.27, 36.40 ppm):
    33 chemical-shift based assignments, quality = 0.994, support = 2.09, residual support = 10.5:
    * O T HA    GLU-  15 - QG    GLU-  15   2.59 +/- 0.65  85.085% * 49.2279% (1.00  10.0 10.00   2.06  10.97) =  95.192%  kept
        T HA    GLU-  15 - QG    GLU-  14   4.98 +/- 0.73   4.164% * 43.3131% (0.88   1.0 10.00   2.71   1.00) =   4.098%  kept
          HA    SER   13 - QG    GLU-  14   4.77 +/- 0.72   5.443% *  5.6934% (0.88   1.0  1.00   2.63   6.67) =   0.704%  kept
          HA    SER   13 - QG    GLU-  15   6.30 +/- 1.11   3.783% *  0.0492% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLN   17 - QG    GLU-  15   6.93 +/- 0.29   0.405% *  0.0279% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  15  11.01 +/- 1.54   0.024% *  0.4657% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - QB    MET   11   6.34 +/- 0.49   0.792% *  0.0119% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG    GLU-  14   8.29 +/- 0.83   0.192% *  0.0245% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  14  15.10 +/- 1.63   0.005% *  0.4097% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - QB    MET   11  12.57 +/- 0.78   0.014% *  0.1187% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  15  11.23 +/- 1.54   0.024% *  0.0279% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  15  14.03 +/- 1.63   0.005% *  0.1096% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  14  16.42 +/- 1.57   0.003% *  0.0964% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  14  13.43 +/- 1.49   0.010% *  0.0245% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  15.48 +/- 3.54   0.024% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  16.07 +/- 0.92   0.002% *  0.0491% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    MET   11  20.55 +/- 2.38   0.001% *  0.1123% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  15.68 +/- 2.29   0.004% *  0.0168% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  14  18.33 +/- 1.27   0.001% *  0.0432% (0.88   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QB    MET   11  20.08 +/- 3.15   0.002% *  0.0264% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  13.16 +/- 1.42   0.007% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  19.39 +/- 1.75   0.001% *  0.0280% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  18.33 +/- 0.94   0.001% *  0.0318% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  16.44 +/- 1.22   0.003% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  17.30 +/- 1.67   0.002% *  0.0059% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  19.59 +/- 1.11   0.001% *  0.0123% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  20.70 +/- 1.58   0.001% *  0.0148% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  22.09 +/- 1.41   0.000% *  0.0108% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  26.14 +/- 2.01   0.000% *  0.0118% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  28.07 +/- 1.84   0.000% *  0.0077% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  22.75 +/- 2.25   0.000% *  0.0016% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  26.24 +/- 2.12   0.000% *  0.0040% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  30.20 +/- 1.82   0.000% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 84.4:
    * O T HB2   GLN   17 - HA    GLN   17   2.54 +/- 0.09  99.339% * 97.7872% (1.00  10.0 10.00   4.00  84.43) =  99.996%  kept
        T QB    GLU-  15 - HA    GLN   17   6.76 +/- 0.21   0.298% *  0.9779% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   PRO   68 - HA    GLN   17   9.51 +/- 2.91   0.169% *  0.7830% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    GLN   17   7.80 +/- 0.55   0.142% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLN   17  10.67 +/- 1.95   0.039% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLN   17  13.99 +/- 0.55   0.004% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLN   17  13.93 +/- 1.08   0.004% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  19.49 +/- 1.52   0.001% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  16.01 +/- 1.10   0.002% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLN   17  20.90 +/- 0.30   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  23.00 +/- 0.78   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  21.46 +/- 1.24   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (2.21, 4.42, 54.38 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.4:
    * O T QG    GLN   17 - HA    GLN   17   2.86 +/- 0.52  99.865% * 98.5118% (0.76  10.0 10.00   4.31  84.43) =  99.999%  kept
        T HB    VAL   70 - HA    GLN   17   9.63 +/- 1.22   0.120% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    GLN   17  16.17 +/- 1.13   0.005% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   17  16.87 +/- 1.03   0.004% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   17  20.16 +/- 1.59   0.001% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  18.20 +/- 1.55   0.003% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLN   17  20.27 +/- 0.27   0.001% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (4.42, 2.01, 31.84 ppm):
    24 chemical-shift based assignments, quality = 0.201, support = 3.53, residual support = 50.2:
    * O T HA    GLN   17 - HB2   GLN   17   2.54 +/- 0.09  41.844% * 57.9333% (0.24  10.0 10.00   4.00  84.43) =  53.455%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.41 +/- 0.17  57.326% * 36.8149% (0.15  10.0 10.00   3.00  10.97) =  46.537%  kept
        T HA    GLN   17 - HB3   PRO   68   9.51 +/- 2.91   0.061% *  1.4535% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  15 - HB3   PRO   68   9.04 +/- 2.58   0.101% *  0.8229% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   17 - QB    GLU-  15   6.76 +/- 0.21   0.121% *  0.6503% (0.27   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  15 - HB2   GLN   17   6.20 +/- 0.26   0.212% *  0.3280% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   13 - QB    GLU-  15   5.99 +/- 0.55   0.295% *  0.0368% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   PRO   68  13.26 +/- 1.34   0.003% *  0.5455% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    GLU-  15  11.36 +/- 1.43   0.007% *  0.2441% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    GLU-  15  11.41 +/- 1.51   0.007% *  0.0650% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   68  13.86 +/- 2.95   0.004% *  0.0823% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN   17  11.45 +/- 0.99   0.006% *  0.0328% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   PRO   68  13.80 +/- 0.79   0.002% *  0.0882% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  12.18 +/- 1.19   0.004% *  0.0394% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   GLN   17  16.94 +/- 0.97   0.001% *  0.2174% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   68  16.86 +/- 1.53   0.001% *  0.1454% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  12.97 +/- 1.40   0.003% *  0.0305% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   PRO   68  15.09 +/- 1.10   0.001% *  0.0765% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  15.38 +/- 1.03   0.001% *  0.0574% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  14.28 +/- 0.68   0.001% *  0.0351% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  16.09 +/- 0.63   0.001% *  0.0342% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   68  20.99 +/- 1.45   0.000% *  0.1441% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  18.63 +/- 0.69   0.000% *  0.0645% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   GLN   17  19.31 +/- 1.10   0.000% *  0.0579% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 84.4:
    * O T QG    GLN   17 - HB2   GLN   17   2.47 +/- 0.08  98.011% * 84.9728% (0.18  10.0 10.00   4.31  84.43) =  99.972%  kept
        T QG    GLN   17 - QB    GLU-  15   5.27 +/- 0.58   1.332% *  0.9538% (0.21   1.0 10.00   0.02   0.02) =   0.015%
        T QG    GLN   17 - HB3   PRO   68   9.26 +/- 2.94   0.215% *  2.1320% (0.46   1.0 10.00   0.02   0.02) =   0.005%
        T HB    VAL   70 - HB3   PRO   68   7.61 +/- 0.94   0.147% *  2.3301% (0.51   1.0 10.00   0.02   0.02) =   0.004%
        T HB    VAL   70 - QB    GLU-  15   7.41 +/- 1.27   0.270% *  1.0424% (0.23   1.0 10.00   0.02   0.02) =   0.003%
        T HB    VAL   70 - HB2   GLN   17  11.55 +/- 1.06   0.011% *  0.9287% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - QB    GLU-  15  14.39 +/- 1.83   0.004% *  0.8073% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB3   PRO   68  16.86 +/- 1.80   0.001% *  1.8047% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - QB    GLU-  15  18.69 +/- 0.98   0.001% *  0.8073% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB2   GLN   17  19.08 +/- 0.44   0.000% *  0.7193% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   PRO   68  17.78 +/- 0.86   0.001% *  0.2765% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QB    GLU-  15  15.84 +/- 1.32   0.002% *  0.1237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  16.34 +/- 2.01   0.002% *  0.0952% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB2   GLN   17  21.38 +/- 1.45   0.000% *  0.7193% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB3   PRO   68  26.27 +/- 1.62   0.000% *  1.8047% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   GLN   17  17.24 +/- 1.01   0.001% *  0.1102% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  15.97 +/- 1.05   0.002% *  0.0629% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  17.74 +/- 1.31   0.001% *  0.0426% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  19.40 +/- 1.02   0.000% *  0.0707% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   PRO   68  24.59 +/- 1.38   0.000% *  0.1579% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  20.17 +/- 1.43   0.000% *  0.0379% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 66 (4.42, 2.21, 33.80 ppm):
    16 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.4:
    * O T HA    GLN   17 - QG    GLN   17   2.86 +/- 0.52  74.121% * 99.2429% (0.76  10.0 10.00   4.31  84.43) =  99.981%  kept
          HA    GLU-  15 - QG    GLN   17   4.23 +/- 0.95  24.726% *  0.0562% (0.43   1.0  1.00   0.02   0.02) =   0.019%
        T HA    GLN   17 - HB    VAL   70   9.63 +/- 1.22   0.068% *  0.2033% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG    GLN   17   8.67 +/- 0.98   0.164% *  0.0562% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    VAL   70   7.65 +/- 0.91   0.275% *  0.0123% (0.09   1.0  1.00   0.02   1.33) =   0.000%
          HA    GLU-  15 - HB    VAL   70   8.62 +/- 1.37   0.256% *  0.0115% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    VAL   70   7.52 +/- 0.79   0.323% *  0.0076% (0.06   1.0  1.00   0.02  37.04) =   0.000%
          HA    VAL   42 - QG    GLN   17  12.97 +/- 0.86   0.013% *  0.0602% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLN   17  12.58 +/- 1.50   0.012% *  0.0522% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLN   17  15.25 +/- 0.98   0.004% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLN   17  16.16 +/- 1.51   0.004% *  0.0992% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG    GLN   17  14.62 +/- 1.09   0.006% *  0.0372% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  13.48 +/- 1.45   0.010% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  14.48 +/- 2.17   0.012% *  0.0115% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  15.33 +/- 1.39   0.004% *  0.0107% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  17.53 +/- 1.38   0.002% *  0.0201% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 67 (2.01, 2.21, 33.80 ppm):
    24 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.4:
    * O T HB2   GLN   17 - QG    GLN   17   2.47 +/- 0.08  97.012% * 95.9708% (0.76  10.0 10.00   4.31  84.43) =  99.983%  kept
        T QB    GLU-  15 - QG    GLN   17   5.27 +/- 0.58   1.314% *  0.9597% (0.76   1.0 10.00   0.02   0.02) =   0.014%
        T HB3   PRO   68 - QG    GLN   17   9.26 +/- 2.94   0.214% *  0.7685% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T QB    GLU-  15 - HB    VAL   70   7.41 +/- 1.27   0.268% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   19 - QG    GLN   17   6.85 +/- 1.42   0.474% *  0.0543% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB    VAL   70   7.61 +/- 0.94   0.145% *  0.1574% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB    VAL   70   7.38 +/- 1.36   0.445% *  0.0096% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB    VAL   70  11.55 +/- 1.06   0.011% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLN   17  10.50 +/- 2.17   0.045% *  0.0467% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLN   17  18.34 +/- 1.19   0.001% *  0.9078% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLN   17  11.90 +/- 1.32   0.010% *  0.0395% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70  10.10 +/- 0.91   0.026% *  0.0111% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  13.20 +/- 1.07   0.005% *  0.0438% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG    GLN   17  12.27 +/- 1.61   0.010% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - QG    GLN   17  19.59 +/- 1.34   0.000% *  0.2137% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HB    VAL   70  22.04 +/- 0.80   0.000% *  0.1860% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  13.91 +/- 1.15   0.004% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  19.46 +/- 1.38   0.000% *  0.0621% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  12.99 +/- 1.80   0.007% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  12.53 +/- 0.88   0.006% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  16.56 +/- 1.26   0.001% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  16.59 +/- 2.07   0.001% *  0.0127% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  22.87 +/- 0.73   0.000% *  0.0951% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  20.87 +/- 2.25   0.000% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.03 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 = 3.44, residual support = 76.6:
    * O T HB    VAL   18 - HA    VAL   18   2.80 +/- 0.26  99.834% * 99.6862% (1.00  10.0 10.00   3.44  76.63) = 100.000%  kept
          HB2   LEU   67 - HA    VAL   18   8.69 +/- 1.08   0.150% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    VAL   18  13.59 +/- 0.86   0.009% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  15.89 +/- 0.85   0.004% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    VAL   18  18.89 +/- 1.25   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  17.68 +/- 1.16   0.002% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 76.6:
    * O T QG1   VAL   18 - HA    VAL   18   2.73 +/- 0.20  98.479% * 98.7319% (1.00  10.0 10.00   4.00  76.63) =  99.997%  kept
        T QG1   VAL   70 - HA    VAL   18   8.20 +/- 1.34   0.221% *  0.9678% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HA    VAL   18   7.18 +/- 1.61   1.150% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    VAL   18   8.91 +/- 1.40   0.140% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   18  14.28 +/- 1.27   0.006% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   18  18.23 +/- 1.05   0.001% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  16.50 +/- 0.77   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 76.6:
    * O T QG2   VAL   18 - HA    VAL   18   2.35 +/- 0.44  97.182% * 98.4101% (1.00  10.0 10.00   4.00  76.63) =  99.998%  kept
          QD1   ILE   19 - HA    VAL   18   5.13 +/- 0.90   2.669% *  0.0715% (0.73   1.0  1.00   0.02  22.72) =   0.002%
        T QG1   VAL   41 - HA    VAL   18  10.90 +/- 0.95   0.031% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    VAL   18   9.01 +/- 0.61   0.059% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   18   9.01 +/- 0.68   0.052% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   18  15.79 +/- 0.88   0.002% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   18  13.80 +/- 1.00   0.005% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.04 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 76.6:
    * O T HA    VAL   18 - HB    VAL   18   2.80 +/- 0.26  99.967% * 99.3791% (1.00  10.0 10.00   3.44  76.63) = 100.000%  kept
          HA    VAL   70 - HB    VAL   18  12.00 +/- 1.00   0.017% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB    VAL   18  14.36 +/- 0.95   0.007% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   18  18.20 +/- 0.59   0.001% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   18  18.41 +/- 0.76   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  17.64 +/- 1.44   0.002% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  17.00 +/- 0.95   0.002% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  21.45 +/- 1.03   0.001% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  19.90 +/- 0.87   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  21.82 +/- 0.83   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 76.6:
    * O T QG1   VAL   18 - HB    VAL   18   2.14 +/- 0.01  99.920% * 99.5994% (1.00  10.0 10.00   3.44  76.63) = 100.000%  kept
          QD1   LEU   71 - HB    VAL   18   9.31 +/- 1.76   0.035% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB    VAL   18   9.61 +/- 1.68   0.028% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB    VAL   18   9.93 +/- 1.47   0.015% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   18  14.75 +/- 1.50   0.001% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  16.55 +/- 0.98   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   18  19.98 +/- 1.63   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 76.6:
    * O T QG2   VAL   18 - HB    VAL   18   2.12 +/- 0.02  99.781% * 98.4101% (1.00  10.0 10.00   3.26  76.63) = 100.000%  kept
          QD1   ILE   19 - HB    VAL   18   6.69 +/- 0.85   0.167% *  0.0715% (0.73   1.0  1.00   0.02  22.72) =   0.000%
          QG2   THR   46 - HB    VAL   18   7.92 +/- 0.63   0.041% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - HB    VAL   18  12.94 +/- 1.19   0.002% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    VAL   18  10.46 +/- 0.93   0.008% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   18  17.44 +/- 1.22   0.000% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   18  15.83 +/- 1.14   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (4.00, 0.86, 22.91 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 76.6:
    * O T HA    VAL   18 - QG1   VAL   18   2.73 +/- 0.20  99.907% * 97.2871% (1.00  10.0 10.00   4.00  76.63) = 100.000%  kept
        T HA    VAL   70 - QG1   VAL   18  10.39 +/- 0.80   0.035% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   18  10.96 +/- 0.85   0.029% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   18  16.07 +/- 0.86   0.003% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   18  13.77 +/- 0.34   0.006% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   18  14.57 +/- 0.58   0.005% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   18  15.46 +/- 1.26   0.003% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  13.63 +/- 0.90   0.007% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   18  15.51 +/- 0.62   0.003% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  16.84 +/- 0.65   0.002% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 76.6:
    * O T HB    VAL   18 - QG1   VAL   18   2.14 +/- 0.01  99.977% * 99.6862% (1.00  10.0 10.00   3.44  76.63) = 100.000%  kept
          HB2   LEU   67 - QG1   VAL   18   9.50 +/- 1.00   0.017% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   18  14.21 +/- 1.18   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  12.89 +/- 0.94   0.002% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG1   VAL   18  13.39 +/- 0.93   0.002% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  14.74 +/- 1.20   0.001% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 76.6:
    * O T QG2   VAL   18 - QG1   VAL   18   2.08 +/- 0.04  99.004% * 98.4101% (1.00  10.0 10.00   4.00  76.63) =  99.999%  kept
          QD1   ILE   19 - QG1   VAL   18   5.11 +/- 0.56   0.625% *  0.0715% (0.73   1.0  1.00   0.02  22.72) =   0.000%
          QG2   THR   46 - QG1   VAL   18   5.63 +/- 0.64   0.313% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG1   VAL   18  10.21 +/- 1.10   0.009% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QG1   VAL   18   7.79 +/- 0.77   0.045% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG1   VAL   18  14.45 +/- 1.08   0.001% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   VAL   18  11.87 +/- 0.70   0.003% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (4.00, 0.75, 22.78 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 76.6:
    * O T HA    VAL   18 - QG2   VAL   18   2.35 +/- 0.44  98.877% * 97.9277% (1.00  10.0 10.00   4.00  76.63) =  99.999%  kept
        T HA    VAL   18 - QG1   VAL   41  10.90 +/- 0.95   0.032% *  0.7484% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   41   7.26 +/- 0.57   0.239% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG1   VAL   41   6.94 +/- 0.45   0.287% *  0.0514% (0.52   1.0  1.00   0.02   2.71) =   0.000%
          HA    GLN   32 - QG1   VAL   41   6.62 +/- 0.56   0.381% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   41   8.83 +/- 0.68   0.071% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG2   VAL   18   9.51 +/- 0.64   0.030% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   VAL   18  11.61 +/- 1.02   0.012% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104   9.89 +/- 1.01   0.033% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   18 - QD2   LEU  104  15.79 +/- 0.88   0.002% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   18  13.75 +/- 0.86   0.004% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   18  15.02 +/- 0.51   0.003% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   18  15.29 +/- 0.64   0.002% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  13.37 +/- 0.80   0.005% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG1   VAL   41  16.68 +/- 1.23   0.002% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG2   VAL   18  17.35 +/- 1.03   0.001% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   41  17.75 +/- 1.41   0.001% *  0.0514% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   VAL   18  16.31 +/- 0.71   0.001% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  16.16 +/- 0.65   0.002% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  17.22 +/- 0.92   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  14.23 +/- 0.98   0.004% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  15.19 +/- 0.72   0.003% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  20.02 +/- 0.84   0.001% *  0.0543% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  14.40 +/- 0.88   0.004% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  17.24 +/- 0.89   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  17.46 +/- 1.11   0.001% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  21.08 +/- 0.56   0.000% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  21.72 +/- 1.33   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  23.55 +/- 0.79   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  22.22 +/- 0.58   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 76.6:
    * O T HB    VAL   18 - QG2   VAL   18   2.12 +/- 0.02  99.169% * 98.5012% (1.00  10.0 10.00   3.26  76.63) = 100.000%  kept
          HB2   LEU   40 - QG1   VAL   41   5.43 +/- 0.36   0.379% *  0.0257% (0.26   1.0  1.00   0.02  19.79) =   0.000%
          HB2   LEU   67 - QG2   VAL   18   7.89 +/- 0.97   0.048% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QD2   LEU  104   6.43 +/- 1.19   0.377% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   18 - QG1   VAL   41  12.94 +/- 1.19   0.002% *  0.7528% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QG1   VAL   41  10.80 +/- 0.82   0.006% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  11.34 +/- 0.84   0.005% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG2   VAL   18  13.53 +/- 1.04   0.002% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  13.35 +/- 0.98   0.002% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  11.72 +/- 1.83   0.006% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG2   VAL   18  12.71 +/- 0.79   0.002% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   18 - QD2   LEU  104  17.44 +/- 1.22   0.000% *  0.1514% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  17.96 +/- 1.24   0.000% *  0.0396% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  15.33 +/- 1.01   0.001% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  22.94 +/- 1.09   0.000% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  20.75 +/- 0.95   0.000% *  0.0366% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  20.38 +/- 0.97   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  23.57 +/- 0.80   0.000% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 83 (0.86, 0.75, 22.78 ppm):
    21 chemical-shift based assignments, quality = 0.967, support = 4.05, residual support = 81.6:
    * O T QG1   VAL   18 - QG2   VAL   18   2.08 +/- 0.04  66.035% * 90.9635% (1.00  10.0 10.00   4.00  76.63) =  96.455%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.43 +/- 0.36  32.433% *  6.8036% (0.07  10.0 10.00   5.31 217.23) =   3.543%  kept
          QD1   LEU   71 - QG1   VAL   41   5.05 +/- 1.21   1.229% *  0.0581% (0.64   1.0  1.00   0.02   4.31) =   0.001%
          QG1   VAL   70 - QG1   VAL   41   6.83 +/- 0.68   0.072% *  0.0681% (0.75   1.0  1.00   0.02   2.71) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41  10.21 +/- 1.10   0.006% *  0.6952% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   7.79 +/- 1.27   0.049% *  0.0892% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   7.42 +/- 1.11   0.055% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.09 +/- 1.26   0.060% *  0.0625% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   9.73 +/- 1.03   0.008% *  0.3384% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   8.04 +/- 1.03   0.023% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  11.67 +/- 1.08   0.003% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.70 +/- 0.98   0.000% *  0.4428% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104   9.81 +/- 1.64   0.012% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.71 +/- 0.93   0.002% *  0.0478% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  14.45 +/- 1.08   0.001% *  0.1398% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  13.79 +/- 1.59   0.001% *  0.0581% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  10.73 +/- 1.03   0.004% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  12.85 +/- 0.84   0.001% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  11.83 +/- 0.98   0.002% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  13.62 +/- 0.51   0.001% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  12.25 +/- 0.46   0.002% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.75, 0.75, 22.78 ppm):
    3 diagonal assignments:
    *     QG2   VAL   18 - QG2   VAL   18  (1.00)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.09)  kept
 
    Peak 85 (4.18, 4.18, 60.49 ppm):
    1 diagonal assignment:
    *     HA    ILE   19 - HA    ILE   19  (1.00)  kept
 
    Peak 86 (2.00, 4.18, 60.49 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 172.3:
    * O T HB    ILE   19 - HA    ILE   19   2.97 +/- 0.04  97.708% * 98.7896% (1.00  10.0 10.00   5.75 172.34) =  99.999%  kept
          HB2   GLN   17 - HA    ILE   19   5.68 +/- 0.24   2.080% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    ILE   19   8.56 +/- 0.46   0.184% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    ILE   19  14.26 +/- 0.31   0.008% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ILE   19  15.50 +/- 1.29   0.006% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE   19  14.45 +/- 2.30   0.012% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ILE   19  21.37 +/- 1.40   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  19.57 +/- 1.02   0.001% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  21.56 +/- 1.13   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  25.11 +/- 0.68   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 172.3:
    * O T HG12  ILE   19 - HA    ILE   19   2.98 +/- 0.75  95.060% * 98.1529% (1.00  10.0 10.00   6.31 172.34) =  99.992%  kept
        T HG    LEU   73 - HA    ILE   19   6.87 +/- 0.75   1.736% *  0.3348% (0.34   1.0 10.00   0.02   4.16) =   0.006%
          HB3   LYS+  74 - HA    ILE   19   5.99 +/- 0.59   2.955% *  0.0556% (0.57   1.0  1.00   0.02   8.69) =   0.002%
        T HG    LEU   80 - HA    ILE   19  12.87 +/- 0.59   0.029% *  0.9621% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    ILE   19  10.34 +/- 0.94   0.134% *  0.0851% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ILE   19  12.78 +/- 1.29   0.037% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ILE   19  14.18 +/- 0.83   0.016% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ILE   19  15.07 +/- 1.09   0.014% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ILE   19  14.99 +/- 0.89   0.013% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ILE   19  18.45 +/- 1.53   0.003% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ILE   19  21.69 +/- 2.13   0.002% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  23.34 +/- 1.66   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.12 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 172.3:
    * O T HG13  ILE   19 - HA    ILE   19   2.97 +/- 0.51  99.285% * 98.2804% (1.00  10.0 10.00   5.75 172.34) =  99.998%  kept
        T HG    LEU   71 - HA    ILE   19   9.53 +/- 1.35   0.172% *  0.8814% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HA    ILE   19   8.18 +/- 0.62   0.384% *  0.0907% (0.92   1.0  1.00   0.02   8.69) =   0.000%
          QG2   THR   39 - HA    ILE   19  10.46 +/- 0.82   0.077% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HA    ILE   19  14.63 +/- 1.50   0.012% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   19  10.95 +/- 0.52   0.060% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE   19  19.16 +/- 1.32   0.002% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ILE   19  18.93 +/- 0.77   0.002% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE   19  19.96 +/- 1.06   0.002% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  18.31 +/- 0.54   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  25.41 +/- 0.90   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.06 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 4.79, residual support = 170.6:
    *   T QD1   ILE   19 - HA    ILE   19   2.81 +/- 0.49  93.573% * 84.6605% (1.00 10.00   4.78 172.34) =  98.827%  kept
          QG2   VAL   18 - HA    ILE   19   5.12 +/- 0.48   6.226% * 15.1030% (0.73  1.00   4.91  22.72) =   1.173%  kept
          QG2   THR   46 - HA    ILE   19   9.98 +/- 0.80   0.066% *  0.0707% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    ILE   19   9.86 +/- 0.75   0.081% *  0.0412% (0.49  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    ILE   19  11.29 +/- 1.24   0.044% *  0.0261% (0.31  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    ILE   19  17.79 +/- 0.88   0.002% *  0.0817% (0.97  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    ILE   19  14.15 +/- 0.92   0.008% *  0.0168% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.16 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 172.3:
    * O T HA    ILE   19 - HB    ILE   19   2.97 +/- 0.04  99.909% * 98.6066% (1.00  10.0 10.00   5.75 172.34) = 100.000%  kept
        T HA    GLU-  25 - HB    ILE   19  13.49 +/- 0.39   0.012% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB    ILE   19   9.95 +/- 0.46   0.076% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HB    ILE   19  20.02 +/- 0.99   0.001% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    ILE   19  18.18 +/- 0.79   0.002% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 91 (2.00, 2.00, 37.78 ppm):
    1 diagonal assignment:
    *     HB    ILE   19 - HB    ILE   19  (1.00)  kept
 
    Peak 92 (1.42, 2.00, 37.78 ppm):
    12 chemical-shift based assignments, quality = 0.99, support = 5.24, residual support = 169.7:
    * O T HG12  ILE   19 - HB    ILE   19   2.54 +/- 0.28  90.875% * 84.0133% (1.00  10.0 10.00   5.31 172.34) =  98.434%  kept
        T HG    LEU   73 - HB    ILE   19   4.28 +/- 0.74   8.583% * 14.1431% (0.34   1.0 10.00   0.99   4.16) =   1.565%  kept
          HB3   LYS+  74 - HB    ILE   19   6.58 +/- 0.66   0.480% *  0.0476% (0.57   1.0  1.00   0.02   8.69) =   0.000%
        T HB3   LEU   67 - HB    ILE   19  11.40 +/- 1.19   0.017% *  0.6101% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HB    ILE   19  12.36 +/- 0.71   0.008% *  0.8235% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    ILE   19  10.86 +/- 0.82   0.020% *  0.0729% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB    ILE   19  13.39 +/- 0.91   0.005% *  0.0642% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  12.46 +/- 0.96   0.008% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB    ILE   19  14.58 +/- 0.91   0.003% *  0.0442% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  17.95 +/- 1.39   0.001% *  0.0833% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  19.72 +/- 2.20   0.001% *  0.0510% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  20.50 +/- 1.67   0.000% *  0.0209% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 93 (1.25, 2.00, 37.78 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 172.3:
    * O T HG13  ILE   19 - HB    ILE   19   2.52 +/- 0.28  99.217% * 97.6364% (1.00  10.0 10.00   5.00 172.34) =  99.995%  kept
        T HG    LEU   71 - HB    ILE   19   7.12 +/- 1.49   0.487% *  0.8756% (0.90   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  74 - HB    ILE   19   8.34 +/- 0.67   0.097% *  0.9013% (0.92   1.0 10.00   0.02   8.69) =   0.001%
          QG2   THR   39 - HB    ILE   19   8.52 +/- 0.75   0.107% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   19   8.63 +/- 0.45   0.083% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB    ILE   19  16.48 +/- 1.26   0.002% *  0.0924% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  14.36 +/- 1.63   0.005% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  18.23 +/- 0.81   0.001% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    ILE   19  17.42 +/- 0.86   0.001% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  16.81 +/- 0.61   0.001% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  24.35 +/- 1.18   0.000% *  0.1932% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 4.05, residual support = 172.3:
    * O T QD1   ILE   19 - HB    ILE   19   2.95 +/- 0.24  96.606% * 99.6493% (1.00  10.0 10.00   4.05 172.34) =  99.998%  kept
          QG2   VAL   18 - HB    ILE   19   5.49 +/- 0.38   2.659% *  0.0724% (0.73   1.0  1.00   0.02  22.72) =   0.002%
          QG1   VAL   43 - HB    ILE   19   7.74 +/- 0.85   0.418% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    ILE   19   8.87 +/- 1.23   0.218% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    ILE   19  10.30 +/- 0.74   0.065% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB    ILE   19  11.91 +/- 1.00   0.029% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    ILE   19  15.56 +/- 0.86   0.005% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.27 A, kept.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 172.3:
    * O T HA    ILE   19 - HG12  ILE   19   2.98 +/- 0.75  96.845% * 98.8520% (1.00  10.0 10.00   6.31 172.34) =  99.994%  kept
        T HA    ILE   19 - HG    LEU   73   6.87 +/- 0.75   1.783% *  0.3228% (0.33   1.0 10.00   0.02   4.16) =   0.006%
          HA    GLU-  25 - HG    LEU   80   8.39 +/- 1.03   0.368% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG    LEU   80  12.87 +/- 0.59   0.030% *  0.4055% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   80   8.56 +/- 0.50   0.337% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   73   9.57 +/- 0.99   0.321% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   73  11.98 +/- 0.96   0.066% *  0.0298% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG12  ILE   19  11.25 +/- 0.61   0.072% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80   9.79 +/- 0.87   0.142% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG12  ILE   19  15.15 +/- 0.46   0.012% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   80  16.58 +/- 1.50   0.008% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG12  ILE   19  19.35 +/- 1.13   0.003% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   73  17.13 +/- 0.87   0.006% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  17.33 +/- 1.42   0.007% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  22.07 +/- 1.09   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.02 A, kept.
 
    Peak 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 172.3:
    * O T HB    ILE   19 - HG12  ILE   19   2.54 +/- 0.28  90.059% * 98.3572% (1.00  10.0 10.00   5.31 172.34) =  99.968%  kept
        T HB    ILE   19 - HG    LEU   73   4.28 +/- 0.74   8.503% *  0.3212% (0.33   1.0 10.00   0.02   4.16) =   0.031%
          HB2   GLN   17 - HG12  ILE   19   6.36 +/- 0.76   0.800% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG12  ILE   19   6.83 +/- 0.68   0.342% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   80   8.37 +/- 1.31   0.191% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG    LEU   80  12.36 +/- 0.71   0.008% *  0.4034% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  10.39 +/- 1.58   0.041% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG12  ILE   19  13.77 +/- 1.56   0.004% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  10.73 +/- 0.79   0.021% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  12.76 +/- 2.13   0.010% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE   19  15.20 +/- 0.50   0.002% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  12.87 +/- 1.11   0.006% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  15.21 +/- 1.04   0.003% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  18.01 +/- 1.68   0.001% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  21.24 +/- 1.54   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  14.84 +/- 1.35   0.003% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  17.38 +/- 0.70   0.001% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  20.40 +/- 1.69   0.000% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  20.28 +/- 1.25   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  18.94 +/- 0.98   0.001% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  21.66 +/- 1.82   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   73  18.98 +/- 1.18   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  20.02 +/- 0.83   0.000% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  25.26 +/- 1.67   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  21.83 +/- 1.39   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  24.90 +/- 1.41   0.000% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  21.96 +/- 1.45   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  23.41 +/- 1.34   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  23.02 +/- 1.56   0.000% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  24.50 +/- 1.37   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 172.3:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  99.719% * 96.9096% (1.00  10.0 10.00   5.31 172.34) =  99.999%  kept
        T HG    LEU   71 - HG12  ILE   19   7.27 +/- 1.54   0.050% *  0.8691% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HG    LEU   73   6.40 +/- 0.84   0.073% *  0.3165% (0.33   1.0 10.00   0.02   4.16) =   0.000%
        T HG    LEU   71 - HG    LEU   73   6.98 +/- 1.95   0.063% *  0.2838% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG12  ILE   19   8.47 +/- 1.24   0.012% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   8.15 +/- 0.82   0.013% *  0.0292% (0.30   1.0  1.00   0.02  38.85) =   0.000%
          HG2   LYS+  74 - HG12  ILE   19   9.82 +/- 0.99   0.004% *  0.0895% (0.92   1.0  1.00   0.02   8.69) =   0.000%
          QG2   THR   39 - HG    LEU   73   8.26 +/- 1.12   0.012% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   80   9.23 +/- 1.08   0.006% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   6.99 +/- 0.73   0.031% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HG    LEU   80  14.52 +/- 0.59   0.000% *  0.3975% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG12  ILE   19   9.40 +/- 1.03   0.005% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80   9.96 +/- 1.31   0.006% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HG    LEU   80  16.94 +/- 1.52   0.000% *  0.3565% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  12.84 +/- 0.95   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  17.05 +/- 2.01   0.000% *  0.0917% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  14.26 +/- 1.58   0.000% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  15.23 +/- 1.78   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  13.43 +/- 1.86   0.001% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  17.70 +/- 1.55   0.000% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  14.81 +/- 2.18   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  16.73 +/- 1.21   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  16.06 +/- 0.93   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  19.71 +/- 1.12   0.000% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  13.50 +/- 0.73   0.001% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  13.80 +/- 0.82   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  16.02 +/- 1.31   0.000% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  18.84 +/- 1.03   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  23.03 +/- 1.20   0.000% *  0.0376% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  24.46 +/- 1.31   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  25.71 +/- 1.66   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  22.82 +/- 1.60   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  22.04 +/- 1.40   0.000% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (0.74, 1.42, 27.25 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.16, residual support = 172.3:
    * O T QD1   ILE   19 - HG12  ILE   19   2.15 +/- 0.02  94.210% * 98.4260% (1.00  10.0 10.00   4.16 172.34) =  99.998%  kept
        T QD1   ILE   19 - HG    LEU   73   6.01 +/- 0.72   0.297% *  0.3214% (0.33   1.0 10.00   0.02   4.16) =   0.001%
          QG1   VAL   43 - HG    LEU   73   4.39 +/- 1.02   4.685% *  0.0156% (0.16   1.0  1.00   0.02   8.01) =   0.001%
          QG2   VAL   18 - HG12  ILE   19   5.97 +/- 0.70   0.280% *  0.0715% (0.73   1.0  1.00   0.02  22.72) =   0.000%
          QG2   VAL   18 - HG    LEU   73   6.69 +/- 0.68   0.127% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   73   6.59 +/- 0.99   0.206% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   80   7.78 +/- 0.98   0.059% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   19 - HG    LEU   80  12.15 +/- 0.72   0.003% *  0.4037% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG12  ILE   19   9.86 +/- 1.85   0.032% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG12  ILE   19   9.36 +/- 1.18   0.019% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG12  ILE   19  13.24 +/- 1.64   0.003% *  0.1948% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   80   8.98 +/- 0.87   0.025% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG12  ILE   19  11.49 +/- 1.01   0.005% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   73   9.84 +/- 0.90   0.013% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG    LEU   80  12.96 +/- 1.16   0.002% *  0.0799% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73   8.77 +/- 0.84   0.024% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  11.32 +/- 0.74   0.005% *  0.0293% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  13.13 +/- 0.92   0.002% *  0.0310% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG12  ILE   19  16.36 +/- 1.77   0.001% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  13.29 +/- 0.82   0.002% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  19.14 +/- 0.95   0.000% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 172.3:
    * O T HA    ILE   19 - HG13  ILE   19   2.97 +/- 0.51  99.733% * 98.6722% (1.00  10.0 10.00   5.75 172.34) = 100.000%  kept
        T HA    ILE   19 - HG    LEU   71   9.53 +/- 1.35   0.173% *  0.1414% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG13  ILE   19  19.33 +/- 1.00   0.002% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG13  ILE   19  11.49 +/- 0.45   0.049% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG13  ILE   19  15.38 +/- 0.38   0.008% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG    LEU   71  21.44 +/- 1.83   0.001% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  13.09 +/- 2.52   0.026% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  16.38 +/- 2.42   0.006% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG13  ILE   19  22.27 +/- 0.92   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  23.26 +/- 1.48   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.02 A, kept.
 
    Peak 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 172.3:
    * O T HB    ILE   19 - HG13  ILE   19   2.52 +/- 0.28  97.113% * 98.7569% (1.00  10.0 10.00   5.00 172.34) =  99.998%  kept
        T HB    ILE   19 - HG    LEU   71   7.12 +/- 1.49   0.475% *  0.1416% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG13  ILE   19   6.04 +/- 0.89   1.042% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG13  ILE   19   6.52 +/- 0.60   0.404% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  11.28 +/- 2.78   0.301% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   71   7.10 +/- 1.69   0.519% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG13  ILE   19  13.44 +/- 1.33   0.007% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  12.40 +/- 2.19   0.016% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  10.87 +/- 2.19   0.099% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE   19  15.45 +/- 0.40   0.002% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   71  11.61 +/- 1.11   0.014% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG13  ILE   19  25.14 +/- 1.10   0.000% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG13  ILE   19  21.13 +/- 1.40   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  20.09 +/- 1.26   0.001% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  24.36 +/- 3.02   0.000% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  17.41 +/- 2.37   0.002% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  21.52 +/- 1.44   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  19.84 +/- 2.54   0.001% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  21.12 +/- 3.22   0.002% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  22.11 +/- 2.47   0.001% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 102 (1.42, 1.25, 27.25 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 172.3:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  99.417% * 97.7565% (1.00  10.0 10.00   5.31 172.34) = 100.000%  kept
        T HG    LEU   73 - HG13  ILE   19   6.40 +/- 0.84   0.073% *  0.3335% (0.34   1.0 10.00   0.02   4.16) =   0.000%
        T HG12  ILE   19 - HG    LEU   71   7.27 +/- 1.54   0.050% *  0.1401% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   9.02 +/- 1.98   0.368% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - HG    LEU   71   6.98 +/- 1.95   0.063% *  0.0478% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG13  ILE   19   8.06 +/- 0.78   0.013% *  0.0553% (0.57   1.0  1.00   0.02   8.69) =   0.000%
        T HG    LEU   80 - HG13  ILE   19  14.52 +/- 0.59   0.000% *  0.9582% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG13  ILE   19  10.70 +/- 1.06   0.002% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG13  ILE   19  10.88 +/- 1.47   0.002% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  14.00 +/- 1.21   0.000% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  16.94 +/- 1.52   0.000% *  0.1374% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG    LEU   71   9.67 +/- 0.82   0.004% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  13.66 +/- 1.28   0.001% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  15.62 +/- 0.82   0.000% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  13.61 +/- 2.36   0.002% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  13.22 +/- 1.31   0.001% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  12.72 +/- 1.24   0.001% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  18.99 +/- 1.41   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  16.93 +/- 3.71   0.001% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  20.35 +/- 2.58   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  17.48 +/- 1.44   0.000% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  19.58 +/- 2.03   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  21.62 +/- 2.08   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  16.45 +/- 1.91   0.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.05, residual support = 172.3:
    * O T QD1   ILE   19 - HG13  ILE   19   2.15 +/- 0.01  98.034% * 99.4572% (1.00  10.0 10.00   4.05 172.34) =  99.999%  kept
        T QD1   ILE   19 - HG    LEU   71   6.21 +/- 1.40   0.621% *  0.1426% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HG13  ILE   19   5.83 +/- 0.54   0.300% *  0.0722% (0.73   1.0  1.00   0.02  22.72) =   0.000%
          QG1   VAL   41 - HG    LEU   71   5.82 +/- 1.12   0.922% *  0.0044% (0.04   1.0  1.00   0.02   4.31) =   0.000%
          QG1   VAL   43 - HG13  ILE   19   9.38 +/- 1.05   0.019% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG13  ILE   19   9.82 +/- 1.59   0.019% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG13  ILE   19  11.55 +/- 0.72   0.004% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71   7.99 +/- 0.69   0.044% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   71   9.32 +/- 0.60   0.016% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  11.92 +/- 1.47   0.006% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG13  ILE   19  16.25 +/- 1.35   0.001% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  13.23 +/- 1.20   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  10.24 +/- 0.82   0.010% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  14.55 +/- 0.99   0.001% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (4.18, 0.74, 12.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.78, residual support = 172.3:
    *   T HA    ILE   19 - QD1   ILE   19   2.81 +/- 0.49  99.756% * 99.7561% (1.00 10.00   4.78 172.34) = 100.000%  kept
          HA    THR   26 - QD1   ILE   19   8.70 +/- 0.89   0.216% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - QD1   ILE   19  12.20 +/- 0.76   0.024% *  0.0921% (0.92  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QD1   ILE   19  17.30 +/- 0.99   0.003% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - QD1   ILE   19  18.72 +/- 0.76   0.002% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.05, residual support = 172.3:
    * O T HB    ILE   19 - QD1   ILE   19   2.95 +/- 0.24  94.376% * 99.4654% (1.00  10.0 10.00   4.05 172.34) =  99.997%  kept
          HB2   GLN   17 - QD1   ILE   19   5.91 +/- 1.05   3.146% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - QD1   ILE   19   5.69 +/- 0.66   2.365% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD1   ILE   19  12.21 +/- 1.37   0.025% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE   19  12.14 +/- 0.85   0.024% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE   19  11.32 +/- 1.98   0.059% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   ILE   19  18.78 +/- 1.13   0.002% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  18.11 +/- 1.16   0.002% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  19.31 +/- 1.34   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  22.25 +/- 1.06   0.001% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.16, residual support = 172.3:
    * O T HG12  ILE   19 - QD1   ILE   19   2.15 +/- 0.02  99.590% * 97.8860% (1.00  10.0 10.00   4.16 172.34) =  99.999%  kept
        T HG    LEU   73 - QD1   ILE   19   6.01 +/- 0.72   0.308% *  0.3339% (0.34   1.0 10.00   0.02   4.16) =   0.001%
          HB3   LYS+  74 - QD1   ILE   19   7.42 +/- 0.46   0.064% *  0.0554% (0.57   1.0  1.00   0.02   8.69) =   0.000%
        T HG    LEU   80 - QD1   ILE   19  12.15 +/- 0.72   0.003% *  0.9595% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   ILE   19  11.87 +/- 1.16   0.004% *  0.3021% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   ILE   19  10.05 +/- 0.96   0.011% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   ILE   19  10.28 +/- 1.35   0.013% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   19  13.16 +/- 0.66   0.002% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD1   ILE   19  12.85 +/- 1.23   0.003% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  16.86 +/- 1.29   0.000% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  18.14 +/- 2.20   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  18.45 +/- 1.91   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.05, residual support = 172.3:
    * O T HG13  ILE   19 - QD1   ILE   19   2.15 +/- 0.01  99.130% * 98.6077% (1.00  10.0 10.00   4.05 172.34) =  99.994%  kept
        T HG    LEU   71 - QD1   ILE   19   6.21 +/- 1.40   0.630% *  0.8843% (0.90   1.0 10.00   0.02   0.02) =   0.006%
          QG2   THR   39 - QD1   ILE   19   7.01 +/- 1.15   0.153% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QD1   ILE   19   9.12 +/- 0.53   0.018% *  0.0910% (0.92   1.0  1.00   0.02   8.69) =   0.000%
          QB    ALA   34 - QD1   ILE   19   7.70 +/- 0.89   0.063% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD1   ILE   19  14.62 +/- 1.59   0.001% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   19  14.48 +/- 1.29   0.001% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  13.72 +/- 1.39   0.002% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  17.26 +/- 0.75   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  16.50 +/- 0.59   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  22.63 +/- 1.10   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (0.74, 0.74, 12.33 ppm):
    1 diagonal assignment:
    *     QD1   ILE   19 - QD1   ILE   19  (1.00)  kept
 
    Peak 110 (4.63, 4.63, 51.23 ppm):
    1 diagonal assignment:
    *     HA    ALA   20 - HA    ALA   20  (1.00)  kept
 
    Peak 111 (1.14, 4.63, 51.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T QB    ALA   20 - HA    ALA   20   2.12 +/- 0.01  99.998% * 99.6998% (1.00  10.0 10.00   2.31  15.24) = 100.000%  kept
          HB3   LEU   31 - HA    ALA   20  14.40 +/- 0.43   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ALA   20  15.10 +/- 0.72   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  18.90 +/- 1.85   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  18.43 +/- 0.59   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  24.21 +/- 1.46   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  24.94 +/- 1.87   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (4.63, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T HA    ALA   20 - QB    ALA   20   2.12 +/- 0.01  99.992% * 99.9427% (1.00  10.0 10.00   2.31  15.24) = 100.000%  kept
          HA    LEU   71 - QB    ALA   20  10.33 +/- 0.46   0.008% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    ALA   20  19.91 +/- 0.83   0.000% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.6, residual support = 27.9:
    * O T HB2   CYS   21 - HA    CYS   21   2.60 +/- 0.21  99.994% * 99.9059% (1.00  10.0 10.00   2.60  27.95) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  13.54 +/- 0.43   0.006% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  25.14 +/- 0.85   0.000% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 116 (2.60, 4.59, 57.78 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.42, residual support = 27.9:
    * O T HB3   CYS   21 - HA    CYS   21   2.84 +/- 0.22  99.996% * 99.9348% (0.69  10.0 10.00   2.42  27.95) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  15.69 +/- 0.78   0.004% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.31, residual support = 27.9:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00 100.000% * 99.9348% (0.69  10.0 10.00   2.31  27.95) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  13.62 +/- 0.84   0.000% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 121 (3.08, 2.60, 28.30 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.31, residual support = 27.9:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.998% * 99.9059% (0.69  10.0 10.00   2.31  27.95) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  11.24 +/- 0.64   0.002% *  0.0375% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  23.32 +/- 1.02   0.000% *  0.0566% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.33, residual support = 34.4:
    * O T HB2   HIS   22 - HA    HIS   22   2.82 +/- 0.29  99.999% * 99.8331% (0.76  10.0 10.00   2.33  34.41) = 100.000%  kept
          HA    LEU   63 - HA    HIS   22  21.52 +/- 0.85   0.001% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HA    HIS   22  23.36 +/- 2.82   0.001% *  0.0425% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 125 (3.24, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 34.4:
    * O T HB3   HIS   22 - HA    HIS   22   2.65 +/- 0.28 100.000% * 99.9165% (0.95  10.0 10.00   3.46  34.41) = 100.000%  kept
          HD3   ARG+  54 - HA    HIS   22  23.67 +/- 2.14   0.000% *  0.0835% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 126 (4.68, 3.50, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.33, residual support = 34.4:
    * O T HA    HIS   22 - HB2   HIS   22   2.82 +/- 0.29  99.989% * 99.7956% (0.76  10.0 10.00   2.33  34.41) = 100.000%  kept
          HA    VAL   43 - HB2   HIS   22  13.56 +/- 0.62   0.011% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB2   HIS   22  21.59 +/- 0.87   0.001% *  0.1046% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 34.4:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00 100.000% * 99.9165% (0.80  10.0 10.00   4.26  34.41) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  26.31 +/- 2.23   0.000% *  0.0835% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 129 (4.68, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 34.4:
    * O T HA    HIS   22 - HB3   HIS   22   2.65 +/- 0.28  99.993% * 99.7956% (0.95  10.0 10.00   3.46  34.41) = 100.000%  kept
          HA    VAL   43 - HB3   HIS   22  13.86 +/- 0.46   0.006% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB3   HIS   22  22.01 +/- 1.14   0.000% *  0.1046% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 130 (3.50, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 34.4:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00 100.000% * 99.8331% (0.80  10.0 10.00   4.26  34.41) = 100.000%  kept
          HA    LEU   63 - HB3   HIS   22  23.37 +/- 0.87   0.000% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   HIS   22  23.58 +/- 2.93   0.000% *  0.0425% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 19.1:
    * O T QG2   THR   23 - HA    THR   23   2.95 +/- 0.23  99.755% * 99.3383% (0.80  10.0 10.00   3.25  19.05) = 100.000%  kept
          QG2   THR   77 - HA    THR   23   8.47 +/- 0.76   0.218% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   23  15.21 +/- 0.64   0.006% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    THR   23  13.31 +/- 0.44   0.012% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    THR   23  16.07 +/- 1.12   0.004% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   23  16.16 +/- 1.77   0.004% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  23.91 +/- 0.68   0.000% *  0.0445% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.446, support = 3.25, residual support = 19.1:
      O   HB    THR   23 - QG2   THR   23   2.14 +/- 0.01  85.593% * 25.6645% (0.28  10.0  1.00   3.25  19.05) =  67.865%  kept
    * O T HA    THR   23 - QG2   THR   23   2.95 +/- 0.23  14.073% * 73.9129% (0.80  10.0 10.00   3.25  19.05) =  32.135%  kept
          HA    LEU   80 - QG2   THR   23   5.62 +/- 0.47   0.311% *  0.0379% (0.41   1.0  1.00   0.02  10.46) =   0.000%
          HA    ASP-  78 - QG2   THR   23   9.76 +/- 0.97   0.012% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QG2   THR   39  16.07 +/- 1.12   0.001% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QB    ALA   91  10.72 +/- 1.02   0.007% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QB    ALA   91  15.21 +/- 0.64   0.001% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  12.76 +/- 0.72   0.002% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  17.38 +/- 1.06   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  18.78 +/- 1.17   0.000% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  22.37 +/- 0.76   0.000% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  16.66 +/- 1.10   0.000% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.43, residual support = 65.2:
    * O T QG1   VAL   24 - HA    VAL   24   2.64 +/- 0.55  99.944% * 99.7332% (1.00  10.0 10.00   3.43  65.15) = 100.000%  kept
          HB3   LEU   31 - HA    VAL   24  10.12 +/- 0.31   0.053% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    VAL   24  17.04 +/- 0.86   0.002% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL   24  22.36 +/- 2.00   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    VAL   24  28.07 +/- 2.05   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.15 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 65.2:
    * O T HA    VAL   24 - QG1   VAL   24   2.64 +/- 0.55  99.996% * 99.8757% (1.00  10.0 10.00   3.43  65.15) = 100.000%  kept
          HA    LYS+  38 - QG1   VAL   24  17.07 +/- 1.13   0.002% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  17.26 +/- 1.49   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QG1   VAL   24  20.75 +/- 1.76   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.03 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 = 5.2, residual support = 127.6:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.98 +/- 0.04  99.972% * 99.2829% (1.00  10.0 10.00   5.20 127.62) = 100.000%  kept
        T HB2   GLU-  25 - HA    SER   82  13.49 +/- 0.61   0.012% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    GLU-  25  15.42 +/- 0.93   0.006% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU-  25  18.54 +/- 1.27   0.002% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  15.58 +/- 0.92   0.005% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU-  25  21.05 +/- 0.59   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  21.01 +/- 0.34   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  20.69 +/- 0.69   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  23.81 +/- 1.11   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  25.68 +/- 1.04   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  28.93 +/- 1.27   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  26.61 +/- 1.36   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 142 (2.01, 4.18, 61.45 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.6:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.74 +/- 0.08  99.886% * 98.0202% (1.00  10.0 10.00   5.00 127.62) = 100.000%  kept
        T HB    ILE   19 - HA    GLU-  25  13.49 +/- 0.39   0.007% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    SER   82  13.00 +/- 1.35   0.012% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  25   8.93 +/- 0.52   0.089% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HA    SER   82  20.02 +/- 0.99   0.001% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU-  25  19.03 +/- 1.08   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU-  25  20.08 +/- 0.31   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  25  25.41 +/- 1.43   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  21.58 +/- 1.47   0.000% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  18.64 +/- 1.19   0.001% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  26.19 +/- 1.37   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  26.68 +/- 0.84   0.000% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  24.45 +/- 1.12   0.000% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  29.68 +/- 1.40   0.000% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  25.34 +/- 0.73   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  25.58 +/- 1.15   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  31.21 +/- 1.63   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  31.10 +/- 1.46   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.52, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.6:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.13 +/- 0.16  99.987% * 99.4877% (1.00  10.0 10.00   4.31 127.62) = 100.000%  kept
        T HG2   GLU-  25 - HA    SER   82  12.66 +/- 0.65   0.002% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    SER   82  10.13 +/- 0.21   0.010% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  15.24 +/- 0.97   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  20.08 +/- 1.03   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  18.92 +/- 0.60   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  32.75 +/- 1.72   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  31.50 +/- 1.49   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  30.26 +/- 1.40   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  29.32 +/- 1.30   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (2.33, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 127.6:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.37 +/- 0.07  99.681% * 99.2510% (1.00  10.0 10.00   3.74 127.62) = 100.000%  kept
        T HG3   GLU-  25 - HA    SER   82  13.30 +/- 0.67   0.028% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  25  10.73 +/- 0.90   0.112% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    SER   82  10.06 +/- 0.53   0.152% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU-  25  16.61 +/- 0.94   0.008% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  17.91 +/- 1.05   0.005% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  16.92 +/- 1.90   0.009% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  24.69 +/- 1.16   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  23.88 +/- 2.12   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  25.30 +/- 1.64   0.001% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  21.38 +/- 1.39   0.002% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  29.13 +/- 0.86   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  27.03 +/- 1.36   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  28.18 +/- 0.79   0.000% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.24 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.2, residual support = 127.6:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.98 +/- 0.04  99.976% * 99.2383% (1.00  10.0 10.00   5.20 127.62) = 100.000%  kept
        T HA    SER   82 - HB2   GLU-  25  13.49 +/- 0.61   0.012% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   GLU-  25  13.59 +/- 0.24   0.011% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   GLU-  25  24.20 +/- 1.12   0.000% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.2, residual support = 127.6:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  99.993% * 97.2368% (1.00  10.0 10.00   5.20 127.62) = 100.000%  kept
          HG3   GLN   30 - HB2   GLU-  25   8.90 +/- 0.70   0.007% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB2   GLU-  25  18.69 +/- 0.98   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB2   GLU-  25  19.08 +/- 0.44   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB2   GLU-  25  13.07 +/- 0.41   0.001% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB2   GLU-  25  26.27 +/- 1.62   0.000% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  26.43 +/- 1.33   0.000% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  26.92 +/- 0.87   0.000% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  30.67 +/- 1.08   0.000% *  0.0872% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 148 (2.52, 2.20, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.51, residual support = 127.6:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.90 +/- 0.16  99.996% * 99.8559% (1.00  10.0 10.00   4.51 127.62) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  16.95 +/- 0.92   0.003% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  21.08 +/- 0.94   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  33.38 +/- 1.89   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  32.14 +/- 1.68   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 149 (2.33, 2.20, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 127.6:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.69 +/- 0.15  99.941% * 99.6757% (1.00  10.0 10.00   3.94 127.62) = 100.000%  kept
          HB2   GLU-  79 - HB2   GLU-  25   9.82 +/- 0.96   0.057% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   GLU-  25  17.47 +/- 0.90   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  24.89 +/- 1.14   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  24.37 +/- 2.08   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  26.32 +/- 1.44   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  28.96 +/- 1.02   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.6:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.74 +/- 0.08  99.983% * 98.4268% (1.00  10.0 10.00   5.00 127.62) = 100.000%  kept
        T HA    SER   82 - HB3   GLU-  25  13.00 +/- 1.35   0.012% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HB3   GLU-  25  14.26 +/- 0.31   0.005% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB3   GLU-  25  24.37 +/- 1.21   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 151 (2.20, 2.01, 28.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.2, residual support = 127.6:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00 100.000% * 98.0062% (1.00  10.0 10.00   5.20 127.62) = 100.000%  kept
        T QG    GLN   17 - HB3   GLU-  25  18.34 +/- 1.19   0.000% *  0.9607% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB3   GLU-  25  22.04 +/- 0.80   0.000% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU-  25  17.08 +/- 0.92   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  22.64 +/- 0.78   0.000% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  22.59 +/- 0.98   0.000% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (2.01, 2.01, 28.95 ppm):
    1 diagonal assignment:
    *     HB3   GLU-  25 - HB3   GLU-  25  (1.00)  kept
 
    Peak 153 (2.52, 2.01, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.6:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.82 +/- 0.11  99.997% * 99.8559% (1.00  10.0 10.00   4.44 127.62) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  16.77 +/- 1.29   0.003% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  21.25 +/- 1.16   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  33.60 +/- 1.63   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  32.37 +/- 1.42   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 154 (2.33, 2.01, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.6:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.34 +/- 0.13  99.971% * 99.2075% (1.00  10.0 10.00   3.87 127.62) = 100.000%  kept
          HB2   GLU-  79 - HB3   GLU-  25   9.84 +/- 1.38   0.028% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU- 114 - HB3   GLU-  25  26.35 +/- 1.90   0.000% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  17.83 +/- 1.36   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  24.91 +/- 1.72   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  24.32 +/- 2.74   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  29.35 +/- 0.83   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.03 A, kept.
 
    Peak 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.6:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.13 +/- 0.16  99.997% * 99.2383% (1.00  10.0 10.00   4.31 127.62) = 100.000%  kept
        T HA    SER   82 - HG2   GLU-  25  12.66 +/- 0.65   0.002% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HG2   GLU-  25  16.00 +/- 0.21   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG2   GLU-  25  25.57 +/- 1.27   0.000% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.51, residual support = 127.6:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.90 +/- 0.16  99.995% * 99.7000% (1.00  10.0 10.00   4.51 127.62) = 100.000%  kept
          HB2   MET   96 - HG2   GLU-  25  17.32 +/- 0.96   0.003% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   GLU-  25  19.83 +/- 1.23   0.001% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   GLU-  25  22.94 +/- 0.69   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  22.52 +/- 0.61   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  22.41 +/- 0.72   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 157 (2.01, 2.52, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.6:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.82 +/- 0.11  99.950% * 99.4104% (1.00  10.0 10.00   4.44 127.62) = 100.000%  kept
          HG3   GLN   30 - HG2   GLU-  25  10.46 +/- 0.65   0.044% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   GLU-  25  15.13 +/- 0.41   0.004% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLU-  25  20.41 +/- 1.16   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLU-  25  21.51 +/- 0.40   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   GLU-  25  26.98 +/- 1.38   0.000% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  27.97 +/- 1.44   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  28.50 +/- 0.82   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  31.37 +/- 1.38   0.000% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 127.6:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.998% * 99.6757% (1.00  10.0 10.00   3.31 127.62) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  11.28 +/- 1.02   0.002% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  17.64 +/- 1.26   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  25.91 +/- 1.19   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  25.18 +/- 2.08   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  26.87 +/- 1.52   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  30.78 +/- 0.99   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.18, 2.33, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 127.6:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.37 +/- 0.07  99.963% * 98.4268% (1.00  10.0 10.00   3.74 127.62) = 100.000%  kept
        T HA    SER   82 - HG3   GLU-  25  13.30 +/- 0.67   0.029% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG3   GLU-  25  16.20 +/- 0.30   0.008% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG3   GLU-  25  26.09 +/- 1.17   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.17 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 127.6:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.69 +/- 0.15  99.998% * 99.7000% (1.00  10.0 10.00   3.94 127.62) = 100.000%  kept
          QG    GLN   17 - HG3   GLU-  25  20.03 +/- 1.21   0.001% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  18.58 +/- 0.94   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   GLU-  25  23.84 +/- 0.81   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  23.66 +/- 0.50   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  23.72 +/- 0.77   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.21 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.6:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.34 +/- 0.13  99.988% * 98.6730% (1.00  10.0 10.00   3.87 127.62) = 100.000%  kept
          HG3   GLN   30 - HG3   GLU-  25  11.09 +/- 0.58   0.010% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   GLU-  25  15.62 +/- 0.42   0.001% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HG3   GLU-  25  27.91 +/- 1.48   0.000% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   GLU-  25  20.84 +/- 1.01   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   GLU-  25  21.69 +/- 0.51   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  28.69 +/- 1.55   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  29.29 +/- 0.85   0.000% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  32.30 +/- 1.35   0.000% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.6:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00 100.000% * 99.8559% (1.00  10.0 10.00   3.31 127.62) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  17.92 +/- 1.19   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  22.98 +/- 1.06   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  35.44 +/- 1.81   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  34.21 +/- 1.59   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 164 (2.33, 2.33, 37.82 ppm):
    1 diagonal assignment:
    *     HG3   GLU-  25 - HG3   GLU-  25  (1.00)  kept
 
    Peak 165 (4.15, 4.15, 66.74 ppm):
    1 diagonal assignment:
    *     HA    THR   26 - HA    THR   26  (1.00)  kept
 
    Peak 166 (4.23, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.18, residual support = 35.6:
    * O T HB    THR   26 - HA    THR   26   3.03 +/- 0.02 100.000% * 99.8279% (1.00  10.0 10.00   3.18  35.63) = 100.000%  kept
          HA    ASP-  62 - HA    THR   26  24.26 +/- 0.97   0.000% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HA    THR   26  30.36 +/- 0.69   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.63 A, kept.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.18, residual support = 35.6:
    * O T QG2   THR   26 - HA    THR   26   2.61 +/- 0.11  99.989% * 99.3101% (1.00  10.0 10.00   3.18  35.63) = 100.000%  kept
          HB2   LYS+  74 - HA    THR   26  12.46 +/- 0.37   0.009% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    THR   26  17.49 +/- 0.66   0.001% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR   26  22.48 +/- 2.08   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    THR   26  23.87 +/- 0.86   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    THR   26  26.41 +/- 1.93   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  21.33 +/- 0.95   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  27.24 +/- 1.41   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  25.66 +/- 0.78   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  27.90 +/- 1.68   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 168 (4.15, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.18, residual support = 35.6:
    * O T HA    THR   26 - HB    THR   26   3.03 +/- 0.02  99.489% * 99.6617% (1.00  10.0 10.00   3.18  35.63) = 100.000%  kept
          HA    ASN   28 - HB    THR   26   7.72 +/- 0.10   0.369% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB    THR   26   9.25 +/- 0.28   0.127% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB    THR   26  14.02 +/- 0.60   0.011% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB    THR   26  19.32 +/- 3.22   0.003% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    THR   26  21.48 +/- 0.97   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB    THR   26  28.31 +/- 1.02   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  24.68 +/- 0.77   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.61 A, kept.
 
    Peak 169 (4.23, 4.23, 69.37 ppm):
    1 diagonal assignment:
    *     HB    THR   26 - HB    THR   26  (1.00)  kept
 
    Peak 170 (1.50, 4.23, 69.37 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 35.6:
    * O T QG2   THR   26 - HB    THR   26   2.17 +/- 0.01  99.988% * 99.4369% (1.00  10.0 10.00   3.00  35.63) = 100.000%  kept
          HB2   LYS+  74 - HB    THR   26  10.04 +/- 0.47   0.011% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB    THR   26  20.87 +/- 2.12   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  17.84 +/- 0.79   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  120 - HB    THR   26  24.84 +/- 0.68   0.000% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  22.87 +/- 0.92   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  25.78 +/- 1.91   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  21.70 +/- 1.05   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  26.67 +/- 1.45   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  26.23 +/- 1.64   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 171 (4.15, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.18, residual support = 35.6:
    * O T HA    THR   26 - QG2   THR   26   2.61 +/- 0.11  99.039% * 98.6211% (1.00  10.0 10.00   3.18  35.63) = 100.000%  kept
          HA    ASN   28 - QG2   THR   26   6.41 +/- 0.17   0.474% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - QG2   THR   26   6.45 +/- 0.21   0.447% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG2   THR   26  10.13 +/- 0.60   0.033% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   THR   26  15.39 +/- 2.69   0.005% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - QG2   THR   26  23.41 +/- 0.89   0.000% *  0.8238% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QG2   THR   26  20.34 +/- 0.80   0.000% *  0.3364% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   THR   26  18.24 +/- 0.81   0.001% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 35.6:
    * O T HB    THR   26 - QG2   THR   26   2.17 +/- 0.01 100.000% * 99.1149% (1.00  10.0 10.00   3.00  35.63) = 100.000%  kept
        T HA    SER  117 - QG2   THR   26  23.93 +/- 0.58   0.000% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QG2   THR   26  17.96 +/- 0.85   0.000% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 173 (1.50, 1.50, 23.02 ppm):
    1 diagonal assignment:
    *     QG2   THR   26 - QG2   THR   26  (1.00)  kept
 
    Peak 174 (4.49, 4.49, 60.67 ppm):
    1 diagonal assignment:
    *     HA    TRP   27 - HA    TRP   27  (1.00)  kept
 
    Peak 175 (3.56, 4.49, 60.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 101.3:
    * O T HB2   TRP   27 - HA    TRP   27   2.90 +/- 0.07  99.982% * 99.8554% (1.00  10.0 10.00   4.44 101.26) = 100.000%  kept
          HA    THR   77 - HA    TRP   27  12.39 +/- 0.63   0.017% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HA    TRP   27  19.97 +/- 0.56   0.001% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 176 (2.99, 4.49, 60.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 101.3:
    * O T HB3   TRP   27 - HA    TRP   27   2.25 +/- 0.08  99.996% * 99.7166% (1.00  10.0 10.00   4.44 101.26) = 100.000%  kept
          HB2   PHE   97 - HA    TRP   27  15.58 +/- 0.48   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    TRP   27  16.47 +/- 1.38   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    TRP   27  15.44 +/- 0.56   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    TRP   27  16.01 +/- 0.98   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  16.78 +/- 0.66   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (4.49, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 101.3:
    * O T HA    TRP   27 - HB2   TRP   27   2.90 +/- 0.07  99.997% * 99.7755% (1.00  10.0 10.00   4.44 101.26) = 100.000%  kept
          HA    ALA   91 - HB2   TRP   27  18.21 +/- 0.70   0.002% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  19.35 +/- 0.74   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  23.05 +/- 0.84   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (3.56, 3.56, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   TRP   27 - HB2   TRP   27  (1.00)  kept
 
    Peak 179 (2.99, 3.56, 30.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 101.3:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  99.999% * 99.7166% (1.00  10.0 10.00   4.97 101.26) = 100.000%  kept
          HB2   PHE   97 - HB2   TRP   27  16.37 +/- 0.74   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  16.21 +/- 1.68   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  16.51 +/- 1.10   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   TRP   27  17.14 +/- 0.60   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  18.67 +/- 0.70   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 180 (4.49, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 101.3:
    * O T HA    TRP   27 - HB3   TRP   27   2.25 +/- 0.08  99.999% * 99.7755% (1.00  10.0 10.00   4.44 101.26) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  17.80 +/- 0.76   0.000% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  18.18 +/- 0.63   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  22.18 +/- 0.80   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (3.56, 2.99, 30.32 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 101.3:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.997% * 99.8554% (1.00  10.0 10.00   4.97 101.26) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27  10.36 +/- 0.94   0.003% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  18.20 +/- 0.89   0.000% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 182 (2.99, 2.99, 30.32 ppm):
    1 diagonal assignment:
    *     HB3   TRP   27 - HB3   TRP   27  (1.00)  kept
 
    Peak 183 (4.13, 4.13, 56.27 ppm):
    1 diagonal assignment:
    *     HA    ASN   28 - HA    ASN   28  (1.00)  kept
 
    Peak 184 (2.93, 4.13, 56.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.48, residual support = 94.7:
    * O T HB2   ASN   28 - HA    ASN   28   3.06 +/- 0.01  99.609% * 99.2152% (1.00  10.0 10.00   4.48  94.66) =  99.999%  kept
        T HB2   ASN   35 - HA    ASN   28   9.52 +/- 0.95   0.136% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    ASN   28   9.42 +/- 1.24   0.168% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   28  10.35 +/- 0.83   0.073% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  14.41 +/- 0.92   0.010% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   28  18.02 +/- 0.83   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   28  21.94 +/- 2.10   0.001% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 94.7:
    * O T HB3   ASN   28 - HA    ASN   28   2.48 +/- 0.06  99.695% * 99.8456% (1.00  10.0 10.00   4.20  94.66) = 100.000%  kept
          HG2   GLN   30 - HA    ASN   28   6.56 +/- 0.33   0.305% *  0.0922% (0.92   1.0  1.00   0.02   8.66) =   0.000%
          QE    LYS+ 121 - HA    ASN   28  20.40 +/- 1.95   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASN   28  22.43 +/- 1.83   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 186 (4.13, 2.93, 38.30 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.48, residual support = 94.7:
    * O T HA    ASN   28 - HB2   ASN   28   3.06 +/- 0.01  90.932% * 99.0365% (1.00  10.0 10.00   4.48  94.66) =  99.997%  kept
          HA    THR   26 - HB2   ASN   28   4.78 +/- 0.17   6.414% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - HB2   ASN   35   5.83 +/- 0.41   2.061% *  0.0291% (0.29   1.0  1.00   0.02  18.77) =   0.001%
        T HA    ASN   28 - HB2   ASN   35   9.52 +/- 0.95   0.124% *  0.3081% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   35   9.11 +/- 1.97   0.412% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ASN   28  12.25 +/- 0.34   0.022% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   28  15.39 +/- 2.95   0.011% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  13.14 +/- 0.75   0.015% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  15.08 +/- 0.61   0.007% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   28  26.10 +/- 1.17   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  27.81 +/- 1.67   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  28.99 +/- 1.32   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  26.46 +/- 1.67   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   28  31.92 +/- 1.94   0.000% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  26.83 +/- 2.39   0.000% *  0.0162% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  28.61 +/- 1.43   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  23.82 +/- 1.15   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  32.18 +/- 1.90   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.42, residual support = 94.7:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  99.977% * 99.4888% (1.00  10.0 10.00   5.42  94.66) = 100.000%  kept
          HG2   GLN   30 - HB2   ASN   28   7.37 +/- 0.30   0.019% *  0.0918% (0.92   1.0  1.00   0.02   8.66) =   0.000%
        T HB3   ASN   28 - HB2   ASN   35  10.05 +/- 0.78   0.003% *  0.3095% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLN   30 - HB2   ASN   35  11.70 +/- 0.91   0.001% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  19.99 +/- 2.90   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   28  23.01 +/- 1.92   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  25.22 +/- 1.74   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  21.90 +/- 2.32   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 94.7:
    * O T HA    ASN   28 - HB3   ASN   28   2.48 +/- 0.06  99.625% * 99.4977% (1.00  10.0 10.00   4.20  94.66) = 100.000%  kept
          HA    THR   26 - HB3   ASN   28   6.36 +/- 0.15   0.357% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   ASN   28  11.80 +/- 0.27   0.009% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   ASN   28  14.05 +/- 2.88   0.007% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  15.43 +/- 0.73   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB3   ASN   28  25.78 +/- 1.33   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  28.23 +/- 1.66   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  28.46 +/- 1.48   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  31.42 +/- 1.98   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.42, residual support = 94.7:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  99.991% * 99.2152% (1.00  10.0 10.00   5.42  94.66) = 100.000%  kept
        T HB2   ASN   35 - HB3   ASN   28  10.05 +/- 0.78   0.003% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   28  10.21 +/- 1.46   0.004% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASN   28  11.14 +/- 0.88   0.002% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  18.91 +/- 0.86   0.000% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  15.57 +/- 0.93   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  23.96 +/- 2.16   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.65, residual support = 92.2:
    * O T HB2   GLU-  29 - HA    GLU-  29   2.94 +/- 0.16  99.360% * 98.3644% (1.00  10.0 10.00   4.65  92.21) =  99.999%  kept
        T HB2   GLU-  29 - HA    GLN   32   7.98 +/- 0.37   0.255% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLU-  29 - HA    LYS+  33   8.65 +/- 0.76   0.185% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PHE   72 - HA    GLU-  29  16.34 +/- 0.63   0.004% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    LYS+  33  15.55 +/- 0.75   0.005% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  11.11 +/- 1.11   0.045% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   32  11.21 +/- 1.18   0.044% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLU-  29  14.83 +/- 1.80   0.009% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  12.66 +/- 1.63   0.023% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  29  15.73 +/- 1.10   0.005% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33  11.96 +/- 1.74   0.031% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLU-  29  15.32 +/- 1.69   0.006% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  17.80 +/- 0.71   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  17.04 +/- 0.60   0.003% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  19.84 +/- 1.45   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  15.93 +/- 1.70   0.005% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  15.02 +/- 1.75   0.007% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  23.20 +/- 0.71   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  16.93 +/- 0.81   0.003% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  26.04 +/- 1.69   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  27.60 +/- 1.29   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  18.28 +/- 0.72   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  18.19 +/- 0.70   0.002% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  21.51 +/- 0.72   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  22.29 +/- 0.58   0.001% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  21.55 +/- 1.06   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  21.48 +/- 0.72   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  22.31 +/- 0.84   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  25.11 +/- 1.79   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  25.30 +/- 1.92   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  23.63 +/- 1.06   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  29.14 +/- 1.00   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  30.51 +/- 1.19   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.30 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.829, support = 5.09, residual support = 91.2:
      O   HB3   GLU-  29 - HA    GLU-  29   2.68 +/- 0.15  32.181% * 44.1493% (0.80  10.0  1.00   5.17  92.21) =  79.850%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.51 +/- 0.16   6.145% * 55.1359% (1.00  10.0 10.00   5.00  92.21) =  19.043%  kept
          QB    GLU-  36 - HA    LYS+  33   2.40 +/- 0.24  60.705% *  0.3243% (0.13   1.0  1.00   0.88   0.02) =   1.106%  kept
          QB    GLU-  36 - HA    GLN   32   5.05 +/- 0.27   0.727% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - HA    LYS+  33   9.82 +/- 0.81   0.015% *  0.1512% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  29   8.21 +/- 0.51   0.039% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  33   7.80 +/- 0.77   0.059% *  0.0121% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   32   7.44 +/- 0.35   0.067% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   32   8.74 +/- 0.35   0.026% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    LYS+  33   8.72 +/- 0.17   0.026% *  0.0110% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32  10.44 +/- 0.32   0.009% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  29  15.00 +/- 0.32   0.001% *  0.0400% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  16.22 +/- 0.91   0.001% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  24.19 +/- 1.17   0.000% *  0.0522% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  20.34 +/- 0.93   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  21.57 +/- 0.93   0.000% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  26.15 +/- 0.83   0.000% *  0.0117% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  28.50 +/- 0.85   0.000% *  0.0143% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 195 (2.43, 4.00, 59.66 ppm):
    21 chemical-shift based assignments, quality = 0.998, support = 4.64, residual support = 92.2:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.33 +/- 0.39  99.702% * 99.0116% (1.00  10.0 10.00   4.64  92.21) =  99.999%  kept
        T HG2   GLU-  29 - HA    GLN   32   7.24 +/- 0.38   0.173% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU-  29 - HA    LYS+  33   8.68 +/- 0.91   0.114% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  29  14.93 +/- 0.85   0.002% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  18.22 +/- 0.56   0.001% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  16.20 +/- 1.11   0.001% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  16.67 +/- 0.95   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  19.64 +/- 1.22   0.000% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  15.62 +/- 0.88   0.002% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  20.13 +/- 0.61   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  17.63 +/- 0.86   0.001% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  21.56 +/- 0.47   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  26.53 +/- 0.75   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.37 +/- 0.64   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  29.58 +/- 2.22   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  25.36 +/- 0.81   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  26.49 +/- 0.70   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.71 +/- 0.53   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.96 +/- 0.68   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  29.88 +/- 2.40   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  29.78 +/- 2.30   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.05 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.65, residual support = 92.2:
    * O T HA    GLU-  29 - HB2   GLU-  29   2.94 +/- 0.16  99.543% * 98.1508% (1.00  10.0 10.00   4.65  92.21) =  99.997%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.65 +/- 0.76   0.185% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HB2   GLU-  29   7.98 +/- 0.37   0.256% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   GLU-  29  14.93 +/- 0.67   0.007% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLU-  29  15.73 +/- 1.32   0.005% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   GLU-  29  16.78 +/- 0.77   0.003% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  22.38 +/- 1.08   0.001% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  21.38 +/- 0.62   0.001% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  29.54 +/- 1.37   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  26.90 +/- 0.96   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.84, support = 4.4, residual support = 92.2:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  83.755% * 44.1051% (0.80  10.0  1.00   4.40  92.21) =  80.504%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.31 +/- 0.10  16.242% * 55.0806% (1.00  10.0 10.00   4.39  92.21) =  19.496%  kept
          QB    GLU-  36 - HB2   GLU-  29   9.80 +/- 0.68   0.003% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - HB2   GLU-  29  14.32 +/- 1.12   0.000% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   GLU-  29  23.58 +/- 1.54   0.000% *  0.5210% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  16.75 +/- 0.63   0.000% *  0.0400% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (2.43, 2.25, 30.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.1, residual support = 92.2:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.82 +/- 0.17  99.991% * 99.6674% (1.00  10.0 10.00   4.10  92.21) = 100.000%  kept
          HB3   ASP-  86 - HB2   GLU-  29  15.34 +/- 0.77   0.004% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  17.36 +/- 0.65   0.002% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  17.39 +/- 1.02   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   GLU-  29  25.77 +/- 1.09   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  23.28 +/- 0.70   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  28.99 +/- 2.16   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.64, residual support = 92.2:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.33 +/- 0.39  99.707% * 98.1508% (1.00  10.0 10.00   4.64  92.21) =  99.998%  kept
        T HA    LYS+  33 - HG2   GLU-  29   8.68 +/- 0.91   0.114% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG2   GLU-  29   7.24 +/- 0.38   0.173% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   GLU-  29  17.09 +/- 1.10   0.002% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLU-  29  16.06 +/- 1.32   0.002% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLU-  29  18.17 +/- 1.00   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  24.18 +/- 1.36   0.000% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  21.90 +/- 0.80   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  31.12 +/- 1.50   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  28.60 +/- 1.27   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 205 (2.25, 2.43, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.1, residual support = 92.2:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.82 +/- 0.17  99.981% * 99.5124% (1.00  10.0 10.00   4.10  92.21) = 100.000%  kept
          QG    GLU-  14 - HG2   GLU-  29  15.25 +/- 1.62   0.005% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  17.68 +/- 1.14   0.002% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG2   GLU-  29  16.30 +/- 2.08   0.004% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   GLU-  29  17.43 +/- 1.12   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  29  17.69 +/- 1.16   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  17.98 +/- 1.04   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  20.19 +/- 2.01   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  24.81 +/- 0.86   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  28.24 +/- 1.52   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  27.42 +/- 1.78   0.000% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.41 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.992, support = 4.17, residual support = 92.2:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  95.264% * 55.3193% (1.00  10.0 10.00   4.16  92.21) =  96.176%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.90 +/- 0.09   4.731% * 44.2962% (0.80  10.0 10.00   4.42  92.21) =   3.824%  kept
        T QB    GLU-  36 - HG2   GLU-  29   9.48 +/- 0.87   0.005% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  29  16.79 +/- 0.61   0.000% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  15.82 +/- 1.44   0.000% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  24.56 +/- 1.72   0.000% *  0.0523% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.902, support = 4.72, residual support = 155.6:
      O T HG3   GLN   30 - HA    GLN   30   2.24 +/- 0.30  76.242% * 46.1414% (0.87  10.0 10.00   4.63 155.65) =  73.578%  kept
    * O T HB2   GLN   30 - HA    GLN   30   2.78 +/- 0.15  23.749% * 53.1933% (1.00  10.0 10.00   4.98 155.65) =  26.422%  kept
          HB3   GLU- 100 - HA    GLN   30  14.26 +/- 1.26   0.002% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLN   30  11.65 +/- 1.31   0.006% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HA    GLN   30  21.93 +/- 0.66   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLN   30  14.78 +/- 0.59   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  18.53 +/- 1.53   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  22.33 +/- 1.02   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  24.56 +/- 1.72   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  28.61 +/- 1.38   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  28.95 +/- 1.56   0.000% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (1.89, 3.84, 58.37 ppm):
    12 chemical-shift based assignments, quality = 0.992, support = 5.21, residual support = 153.9:
    * O T HB3   GLN   30 - HA    GLN   30   2.93 +/- 0.12  62.180% * 97.6674% (1.00  10.0 10.00   5.25 155.65) =  98.876%  kept
          QB    LYS+  33 - HA    GLN   30   3.26 +/- 0.53  37.808% *  1.8265% (0.25   1.0  1.00   1.50   0.17) =   1.124%  kept
          HB3   LYS+  38 - HA    GLN   30  13.45 +/- 0.60   0.006% *  0.0924% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  17.20 +/- 0.55   0.002% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  18.26 +/- 0.61   0.001% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  19.41 +/- 2.43   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  24.93 +/- 0.98   0.000% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  24.75 +/- 1.13   0.000% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  19.69 +/- 0.98   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   30  25.98 +/- 0.92   0.000% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  23.61 +/- 1.52   0.000% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  27.78 +/- 1.84   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 155.6:
    * O T HG2   GLN   30 - HA    GLN   30   3.38 +/- 0.34  99.104% * 99.8053% (1.00  10.0 10.00   5.62 155.65) =  99.999%  kept
          HB3   ASN   28 - HA    GLN   30   7.54 +/- 0.06   0.892% *  0.0921% (0.92   1.0  1.00   0.02   8.66) =   0.001%
          QE    LYS+ 121 - HA    GLN   30  20.69 +/- 2.57   0.003% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    GLN   30  21.15 +/- 1.77   0.002% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (3.84, 2.04, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.98, residual support = 155.6:
    * O T HA    GLN   30 - HB2   GLN   30   2.78 +/- 0.15  99.789% * 99.6678% (1.00  10.0 10.00   4.98 155.65) = 100.000%  kept
          HB    THR   39 - HB2   GLN   30   8.66 +/- 1.11   0.129% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   GLN   30   9.50 +/- 0.82   0.067% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   GLN   30  15.76 +/- 1.91   0.005% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   GLN   30  14.01 +/- 1.45   0.008% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  21.37 +/- 1.60   0.001% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  17.89 +/- 0.54   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  25.34 +/- 0.74   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  23.36 +/- 0.94   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.26, residual support = 155.6:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  99.781% * 98.9590% (1.00  10.0 10.00   4.26 155.65) = 100.000%  kept
          QB    LYS+  33 - HB2   GLN   30   5.01 +/- 0.47   0.218% *  0.0247% (0.25   1.0  1.00   0.02   0.17) =   0.000%
        T QB    LYS+ 106 - HB2   GLN   30  15.09 +/- 0.49   0.000% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   GLN   30  13.82 +/- 0.74   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  16.69 +/- 1.08   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  22.39 +/- 0.91   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  22.25 +/- 1.09   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  17.62 +/- 1.10   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  25.46 +/- 1.85   0.000% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  23.85 +/- 0.92   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  21.24 +/- 1.67   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  20.75 +/- 2.27   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 155.6:
    * O T HG2   GLN   30 - HB2   GLN   30   2.64 +/- 0.25  99.792% * 99.8053% (1.00  10.0 10.00   5.73 155.65) = 100.000%  kept
          HB3   ASN   28 - HB2   GLN   30   7.48 +/- 0.69   0.206% *  0.0921% (0.92   1.0  1.00   0.02   8.66) =   0.000%
          QE    LYS+ 121 - HB2   GLN   30  19.00 +/- 2.37   0.001% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   GLN   30  19.38 +/- 1.59   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.25, residual support = 155.6:
    * O T HA    GLN   30 - HB3   GLN   30   2.93 +/- 0.12  99.769% * 99.5115% (1.00  10.0 10.00   5.25 155.65) = 100.000%  kept
          HB    THR   39 - HB3   GLN   30   9.11 +/- 0.86   0.136% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB3   GLN   30   9.93 +/- 1.11   0.077% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   GLN   30  15.22 +/- 1.62   0.007% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB3   GLN   30  14.48 +/- 1.43   0.008% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   GLN   30  23.44 +/- 1.05   0.000% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  21.30 +/- 1.52   0.001% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  17.57 +/- 0.51   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  25.15 +/- 0.75   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.994, support = 4.3, residual support = 155.6:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  94.502% * 53.1733% (1.00  10.0 10.00   4.26 155.65) =  95.198%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.82 +/- 0.09   5.496% * 46.1240% (0.87  10.0  1.00   4.96 155.65) =   4.802%  kept
          HB3   GLU- 100 - HB3   GLN   30  14.20 +/- 1.46   0.000% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   GLN   30  11.95 +/- 1.15   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLN   30  26.51 +/- 1.52   0.000% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  14.04 +/- 0.50   0.000% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  19.63 +/- 1.05   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  18.01 +/- 1.20   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  19.29 +/- 0.65   0.000% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  22.56 +/- 1.87   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  26.01 +/- 1.36   0.000% *  0.0118% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.85, residual support = 155.6:
    * O T HG2   GLN   30 - HB3   GLN   30   2.49 +/- 0.28  99.794% * 99.8053% (1.00  10.0 10.00   5.85 155.65) = 100.000%  kept
          HB3   ASN   28 - HB3   GLN   30   7.01 +/- 0.58   0.205% *  0.0921% (0.92   1.0  1.00   0.02   8.66) =   0.000%
          QE    LYS+ 121 - HB3   GLN   30  19.07 +/- 2.46   0.001% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB3   GLN   30  19.64 +/- 1.90   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.84, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 155.6:
    * O T HA    GLN   30 - HG2   GLN   30   3.38 +/- 0.34  99.707% * 99.6678% (1.00  10.0 10.00   5.62 155.65) = 100.000%  kept
          HB    THR   39 - HG2   GLN   30  10.31 +/- 0.76   0.142% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG2   GLN   30  10.93 +/- 0.98   0.097% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG2   GLN   30  13.63 +/- 1.49   0.030% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG2   GLN   30  15.56 +/- 1.55   0.014% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLN   30  20.82 +/- 1.61   0.002% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  24.86 +/- 0.90   0.001% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  18.26 +/- 0.52   0.005% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  23.06 +/- 1.04   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 221 (2.04, 2.73, 33.78 ppm):
    11 chemical-shift based assignments, quality = 0.881, support = 6.01, residual support = 155.6:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  90.688% * 46.1414% (0.87  10.0 10.00   6.04 155.65) =  89.418%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.64 +/- 0.25   9.310% * 53.1933% (1.00  10.0 10.00   5.73 155.65) =  10.582%  kept
        T HB2   PRO   93 - HG2   GLN   30  19.46 +/- 0.75   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLN   30  11.50 +/- 0.95   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  16.28 +/- 1.18   0.000% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  12.70 +/- 0.45   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  18.10 +/- 1.63   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  20.67 +/- 1.01   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  23.15 +/- 1.60   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  26.75 +/- 1.12   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  26.01 +/- 1.71   0.000% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 222 (1.89, 2.73, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.85, residual support = 155.6:
    * O T HB3   GLN   30 - HG2   GLN   30   2.49 +/- 0.28  98.806% * 99.4599% (1.00  10.0 10.00   5.85 155.65) = 100.000%  kept
          QB    LYS+  33 - HG2   GLN   30   6.01 +/- 0.61   1.186% *  0.0248% (0.25   1.0  1.00   0.02   0.17) =   0.000%
          HB3   LYS+  38 - HG2   GLN   30  15.81 +/- 0.75   0.002% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  16.26 +/- 0.50   0.002% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  16.11 +/- 0.62   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  22.32 +/- 1.14   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  22.41 +/- 1.18   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   GLN   30  23.63 +/- 1.07   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  21.31 +/- 1.57   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  19.13 +/- 1.17   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  20.08 +/- 2.29   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  24.74 +/- 1.91   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (2.73, 2.73, 33.78 ppm):
    1 diagonal assignment:
    *     HG2   GLN   30 - HG2   GLN   30  (1.00)  kept
 
    Peak 224 (3.61, 3.61, 58.19 ppm):
    1 diagonal assignment:
    *     HA    LEU   31 - HA    LEU   31  (1.00)  kept
 
    Peak 225 (1.33, 3.61, 58.19 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.8:
    * O T HB2   LEU   31 - HA    LEU   31   3.02 +/- 0.01  99.636% * 99.2507% (1.00  10.0 10.00   6.00 231.76) = 100.000%  kept
          HG    LEU   98 - HA    LEU   31   8.89 +/- 1.20   0.212% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   31  10.03 +/- 0.63   0.079% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   31  11.41 +/- 0.93   0.039% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   31  14.25 +/- 0.83   0.010% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LEU   31  14.43 +/- 0.74   0.009% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   31  14.85 +/- 0.50   0.007% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LEU   31  17.48 +/- 0.70   0.003% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  16.63 +/- 0.72   0.004% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   31  21.30 +/- 1.74   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  20.78 +/- 0.79   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  26.32 +/- 2.27   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.16 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.8:
    * O T HB3   LEU   31 - HA    LEU   31   2.41 +/- 0.05  99.973% * 99.6763% (1.00  10.0 10.00   6.00 231.76) = 100.000%  kept
          QG1   VAL   24 - HA    LEU   31  10.50 +/- 0.89   0.018% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LEU   31  12.24 +/- 0.35   0.006% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LEU   31  20.85 +/- 2.59   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  16.62 +/- 0.71   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  16.74 +/- 0.62   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  21.06 +/- 1.65   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  29.29 +/- 1.92   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 6.0, residual support = 231.7:
    * O T HG    LEU   31 - HA    LEU   31   3.36 +/- 0.37  49.033% * 99.6594% (0.80  10.0 10.00   6.00 231.76) =  99.965%  kept
          QG1   VAL   41 - HA    LEU   31   3.43 +/- 0.74  49.522% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.031%
          QD2   LEU   73 - HA    LEU   31   6.40 +/- 0.78   1.443% *  0.1149% (0.92   1.0  1.00   0.02   1.37) =   0.003%
          QD1   ILE   56 - HA    LEU   31  19.62 +/- 0.92   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    LEU   31  20.17 +/- 1.48   0.001% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.18 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.8:
    *   T QD1   LEU   31 - HA    LEU   31   3.66 +/- 0.11 100.000% *100.0000% (1.00 10.00   4.85 231.76) = 100.000%  kept
    Distance limit 3.29 A violated in 0 structures by 0.37 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.8:
    *   T QD2   LEU   31 - HA    LEU   31   2.08 +/- 0.47  99.851% * 99.6345% (1.00 10.00   5.74 231.76) = 100.000%  kept
        T QG2   VAL   43 - HA    LEU   31   7.30 +/- 0.44   0.125% *  0.2484% (0.25 10.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HA    LEU   31  10.14 +/- 0.86   0.019% *  0.0723% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HA    LEU   31  12.80 +/- 0.49   0.005% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.05 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.8:
    * O T HA    LEU   31 - HB2   LEU   31   3.02 +/- 0.01 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.76) = 100.000%  kept
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 231 (1.33, 1.33, 40.94 ppm):
    1 diagonal assignment:
    *     HB2   LEU   31 - HB2   LEU   31  (1.00)  kept
 
    Peak 232 (1.12, 1.33, 40.94 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.8:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  99.993% * 99.6763% (1.00  10.0 10.00   6.00 231.76) = 100.000%  kept
          QG1   VAL   24 - HB2   LEU   31   9.22 +/- 0.85   0.006% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  12.99 +/- 0.27   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  22.79 +/- 2.60   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  17.72 +/- 0.86   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  17.69 +/- 0.65   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  22.93 +/- 1.55   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  30.71 +/- 1.98   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.03, residual support = 231.8:
    * O T HG    LEU   31 - HB2   LEU   31   2.46 +/- 0.27  97.643% * 99.6594% (0.80  10.0 10.00   6.03 231.76) =  99.999%  kept
          QG1   VAL   41 - HB2   LEU   31   5.22 +/- 0.82   2.244% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - HB2   LEU   31   8.00 +/- 0.69   0.113% *  0.1149% (0.92   1.0  1.00   0.02   1.37) =   0.000%
          QD1   ILE   56 - HB2   LEU   31  20.77 +/- 0.93   0.000% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB2   LEU   31  21.92 +/- 1.47   0.000% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 231.8:
    * O T QD1   LEU   31 - HB2   LEU   31   2.51 +/- 0.19 100.000% *100.0000% (1.00  10.0 10.00   4.87 231.76) = 100.000%  kept
    Distance limit 3.22 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 = 231.8:
    * O T QD2   LEU   31 - HB2   LEU   31   3.01 +/- 0.33  99.323% * 99.6345% (1.00  10.0 10.00   5.76 231.76) =  99.999%  kept
        T QG2   VAL   43 - HB2   LEU   31   7.66 +/- 0.63   0.483% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB2   LEU   31   9.13 +/- 0.83   0.172% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB2   LEU   31  12.65 +/- 0.44   0.021% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 236 (3.61, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.8:
    * O T HA    LEU   31 - HB3   LEU   31   2.41 +/- 0.05 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.76) = 100.000%  kept
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 237 (1.33, 1.12, 40.94 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.8:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  99.984% * 99.2507% (1.00  10.0 10.00   6.00 231.76) = 100.000%  kept
          HG    LEU   98 - HB3   LEU   31   8.53 +/- 1.10   0.011% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   31  10.58 +/- 0.88   0.002% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   31  11.79 +/- 0.84   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  13.96 +/- 0.86   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  15.23 +/- 0.85   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  14.34 +/- 0.55   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  15.63 +/- 0.78   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  18.69 +/- 0.78   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  22.24 +/- 1.74   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  21.14 +/- 0.93   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  26.20 +/- 2.42   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.02, residual support = 231.7:
    * O T HG    LEU   31 - HB3   LEU   31   2.85 +/- 0.26  77.469% * 98.0242% (0.80  10.0 10.00   6.02 231.76) =  99.988%  kept
          QG1   VAL   41 - HB3   LEU   31   3.93 +/- 0.90  22.297% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.009%
        T QD2   LEU   73 - HB3   LEU   31   7.80 +/- 0.69   0.233% *  1.1301% (0.92   1.0 10.00   0.02   1.37) =   0.003%
        T HG3   LYS+ 121 - HB3   LEU   31  20.41 +/- 1.49   0.001% *  0.6931% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   31  20.13 +/- 0.94   0.001% *  0.1221% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 240 (0.00, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 231.8:
    * O T QD1   LEU   31 - HB3   LEU   31   2.24 +/- 0.28 100.000% *100.0000% (1.00  10.0 10.00   4.87 231.76) = 100.000%  kept
    Distance limit 3.12 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 = 231.8:
    * O T QD2   LEU   31 - HB3   LEU   31   2.79 +/- 0.18  99.598% * 99.6345% (1.00  10.0 10.00   5.76 231.76) =  99.999%  kept
        T QG2   VAL   43 - HB3   LEU   31   7.46 +/- 0.61   0.310% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB3   LEU   31   9.51 +/- 0.87   0.078% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB3   LEU   31  12.39 +/- 0.49   0.014% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 242 (3.61, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 6.0, residual support = 231.8:
    * O T HA    LEU   31 - HG    LEU   31   3.36 +/- 0.37 100.000% *100.0000% (0.80  10.0 10.00   6.00 231.76) = 100.000%  kept
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (1.33, 0.79, 27.16 ppm):
    12 chemical-shift based assignments, quality = 0.801, support = 6.03, residual support = 231.8:
    * O T HB2   LEU   31 - HG    LEU   31   2.46 +/- 0.27  99.739% * 99.2507% (0.80  10.0 10.00   6.03 231.76) = 100.000%  kept
          HG    LEU   98 - HG    LEU   31   8.77 +/- 1.55   0.217% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   31  11.45 +/- 1.04   0.011% *  0.0958% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   31  13.40 +/- 1.38   0.008% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   31  12.91 +/- 0.90   0.008% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG    LEU   31  13.62 +/- 0.89   0.005% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   31  12.50 +/- 0.56   0.007% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  14.54 +/- 0.58   0.003% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG    LEU   31  17.84 +/- 0.82   0.001% *  0.0890% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  19.53 +/- 1.04   0.001% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   31  22.69 +/- 1.64   0.000% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  25.22 +/- 2.22   0.000% *  0.0984% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.02, residual support = 231.8:
    * O T HB3   LEU   31 - HG    LEU   31   2.85 +/- 0.26  99.618% * 99.4283% (0.80  10.0 10.00   6.02 231.76) = 100.000%  kept
          QG1   VAL   24 - HG    LEU   31   8.05 +/- 0.93   0.349% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG    LEU   31  11.74 +/- 0.51   0.025% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HG    LEU   31  21.81 +/- 1.81   0.001% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG    LEU   31  21.08 +/- 2.76   0.001% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  16.24 +/- 1.06   0.003% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  16.10 +/- 0.60   0.003% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG    LEU   31  28.75 +/- 2.06   0.000% *  0.0563% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.0, residual support = 231.8:
    * O T QD1   LEU   31 - HG    LEU   31   2.10 +/- 0.01 100.000% *100.0000% (0.80  10.0 10.00   5.00 231.76) = 100.000%  kept
    Distance limit 3.16 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 = 5.9, residual support = 231.8:
    * O T QD2   LEU   31 - HG    LEU   31   2.11 +/- 0.01  99.660% * 99.6345% (0.80  10.0 10.00   5.90 231.76) =  99.999%  kept
        T QG2   VAL   43 - HG    LEU   31   5.88 +/- 0.69   0.276% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HG    LEU   31   7.68 +/- 0.92   0.059% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HG    LEU   31  10.98 +/- 0.45   0.005% *  0.0447% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.8:
    *   T HA    LEU   31 - QD1   LEU   31   3.66 +/- 0.11 100.000% *100.0000% (1.00 10.00   4.85 231.76) = 100.000%  kept
    Distance limit 3.68 A violated in 0 structures by 0.03 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 231.8:
    * O T HB2   LEU   31 - QD1   LEU   31   2.51 +/- 0.19  98.733% * 99.2507% (1.00  10.0 10.00   4.87 231.76) =  99.999%  kept
          HG    LEU   98 - QD1   LEU   31   6.29 +/- 1.13   1.125% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QD1   LEU   31   9.55 +/- 0.72   0.039% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   31  10.67 +/- 0.83   0.021% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   31  10.81 +/- 0.86   0.020% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   31  10.04 +/- 0.46   0.027% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   31  11.30 +/- 0.73   0.014% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   31  11.19 +/- 0.65   0.015% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD1   LEU   31  14.85 +/- 0.72   0.003% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   31  15.91 +/- 0.85   0.002% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  20.19 +/- 1.99   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   31  18.73 +/- 1.44   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 250 (1.12, 0.00, 23.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 231.8:
    * O T HB3   LEU   31 - QD1   LEU   31   2.24 +/- 0.28  99.322% * 99.6763% (1.00  10.0 10.00   4.87 231.76) = 100.000%  kept
          QG1   VAL   24 - QD1   LEU   31   6.84 +/- 1.11   0.654% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD1   LEU   31  10.72 +/- 0.49   0.016% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD1   LEU   31  17.23 +/- 2.25   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  12.96 +/- 0.84   0.003% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  12.89 +/- 0.61   0.003% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   LEU   31  17.45 +/- 1.24   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  23.50 +/- 1.69   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.0, residual support = 231.8:
    * O T HG    LEU   31 - QD1   LEU   31   2.10 +/- 0.01  95.487% * 99.6594% (0.80  10.0 10.00   5.00 231.76) =  99.998%  kept
          QG1   VAL   41 - QD1   LEU   31   3.95 +/- 0.66   4.310% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - QD1   LEU   31   6.16 +/- 0.73   0.201% *  0.1149% (0.92   1.0  1.00   0.02   1.37) =   0.000%
          QD1   ILE   56 - QD1   LEU   31  15.60 +/- 0.83   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD1   LEU   31  16.54 +/- 1.24   0.000% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (0.00, 0.00, 23.44 ppm):
    1 diagonal assignment:
    *     QD1   LEU   31 - QD1   LEU   31  (1.00)  kept
 
    Peak 253 (0.07, 0.00, 23.44 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.8:
    * O T QD2   LEU   31 - QD1   LEU   31   2.03 +/- 0.05  98.859% * 99.6345% (1.00  10.0 10.00   4.62 231.76) =  99.998%  kept
        T QG2   VAL   43 - QD1   LEU   31   4.66 +/- 0.62   0.920% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   83 - QD1   LEU   31   6.00 +/- 0.71   0.201% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - QD1   LEU   31   8.50 +/- 0.42   0.020% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (3.61, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.8:
    *   T HA    LEU   31 - QD2   LEU   31   2.08 +/- 0.47  99.875% * 99.9324% (1.00 10.00   5.74 231.76) = 100.000%  kept
        T HA    LEU   31 - QG2   VAL   43   7.30 +/- 0.44   0.125% *  0.0676% (0.07 10.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.04 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.8:
    * O T HB2   LEU   31 - QD2   LEU   31   3.01 +/- 0.33  91.744% * 98.7715% (1.00  10.0 10.00   5.76 231.76) =  99.998%  kept
          HG    LEU   98 - QD2   LEU   31   6.52 +/- 0.95   1.663% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   31 - QG2   VAL   43   7.66 +/- 0.63   0.443% *  0.0668% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - QD2   LEU   31  10.44 +/- 0.49   0.059% *  0.4061% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QG2   VAL   43   5.78 +/- 0.37   2.123% *  0.0054% (0.05   1.0  1.00   0.02  15.39) =   0.000%
          HB3   LEU   80 - QD2   LEU   31   9.64 +/- 0.72   0.101% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   31  10.23 +/- 0.90   0.083% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QG2   VAL   43   6.65 +/- 0.70   1.036% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD2   LEU   31  10.21 +/- 0.73   0.077% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QG2   VAL   43   6.40 +/- 0.93   1.542% *  0.0035% (0.04   1.0  1.00   0.02   0.25) =   0.000%
          HG2   LYS+  38 - QD2   LEU   31  10.29 +/- 0.72   0.075% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   7.03 +/- 0.47   0.682% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD2   LEU   31  13.48 +/- 0.89   0.015% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   31  12.15 +/- 0.59   0.024% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43  10.46 +/- 0.73   0.066% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43   9.08 +/- 0.57   0.148% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  15.36 +/- 0.69   0.006% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   31  17.77 +/- 1.46   0.003% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43  10.31 +/- 0.65   0.066% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  12.20 +/- 0.60   0.024% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  20.23 +/- 1.79   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  14.52 +/- 0.57   0.009% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  15.78 +/- 1.72   0.006% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  17.11 +/- 1.18   0.004% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.02 A, kept.
 
    Peak 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.8:
    * O T HB3   LEU   31 - QD2   LEU   31   2.79 +/- 0.18  94.944% * 99.5873% (1.00  10.0 10.00   5.76 231.76) =  99.999%  kept
          QG1   VAL   24 - QD2   LEU   31   7.12 +/- 1.02   0.685% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG2   VAL   43   7.46 +/- 0.61   0.292% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   VAL   43   6.21 +/- 1.53   3.604% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD2   LEU   31   9.17 +/- 0.27   0.080% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43   8.11 +/- 0.61   0.180% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   31  16.27 +/- 2.07   0.003% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  12.66 +/- 0.61   0.012% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  12.59 +/- 0.65   0.011% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  13.06 +/- 1.67   0.014% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   9.52 +/- 0.53   0.076% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.98 +/- 0.48   0.091% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD2   LEU   31  17.05 +/- 1.34   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD2   LEU   31  22.85 +/- 1.71   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  15.43 +/- 1.29   0.004% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  18.46 +/- 1.37   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.89, residual support = 231.7:
    * O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.01  72.556% * 99.5693% (0.80  10.0 10.00   5.90 231.76) =  99.989%  kept
          QG1   VAL   41 - QD2   LEU   31   3.24 +/- 1.07  19.017% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.008%
          QD2   LEU   73 - QD2   LEU   31   4.43 +/- 0.66   1.193% *  0.1148% (0.92   1.0  1.00   0.02   1.37) =   0.002%
          QD2   LEU   73 - QG2   VAL   43   4.02 +/- 0.94   6.915% *  0.0078% (0.06   1.0  1.00   0.02   8.01) =   0.001%
        T HG    LEU   31 - QG2   VAL   43   5.88 +/- 0.69   0.184% *  0.0674% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.13 +/- 0.56   0.129% *  0.0021% (0.02   1.0  1.00   0.02   1.57) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.98 +/- 0.78   0.001% *  0.1241% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  11.20 +/- 0.96   0.004% *  0.0084% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD2   LEU   31  16.25 +/- 1.33   0.000% *  0.0704% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  14.58 +/- 1.38   0.001% *  0.0048% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 258 (0.00, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.8:
    * O T QD1   LEU   31 - QD2   LEU   31   2.03 +/- 0.05  99.078% * 99.9324% (1.00  10.0 10.00   4.62 231.76) =  99.999%  kept
        T QD1   LEU   31 - QG2   VAL   43   4.66 +/- 0.62   0.922% *  0.0676% (0.07   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.686, support = 3.02, residual support = 42.4:
    * O T QB    GLN   32 - HA    GLN   32   2.46 +/- 0.07  67.351% * 48.6885% (0.69  10.0 10.00   2.96  44.20) =  94.575%  kept
        T QB    GLN   32 - HA    LYS+  33   4.04 +/- 0.15   3.571% * 50.1038% (0.71   1.0 10.00   4.38  11.38) =   5.160%  kept
        T QB    GLN   32 - HA    GLU-  29   2.89 +/- 0.35  29.046% *  0.3169% (0.45   1.0 10.00   0.02   0.02) =   0.265%
          HB    VAL   24 - HA    GLU-  29  10.71 +/- 0.25   0.010% *  0.0314% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLN   32  11.82 +/- 1.40   0.007% *  0.0390% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    LYS+  33  11.83 +/- 1.37   0.007% *  0.0401% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLN   32  14.34 +/- 0.41   0.002% *  0.0483% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.71 +/- 0.43   0.001% *  0.0497% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  13.50 +/- 1.36   0.003% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  16.19 +/- 1.30   0.001% *  0.0254% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  18.24 +/- 1.39   0.000% *  0.0463% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  20.99 +/- 0.92   0.000% *  0.0449% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  17.24 +/- 1.32   0.001% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  16.23 +/- 1.32   0.001% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  22.45 +/- 1.27   0.000% *  0.0293% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  29.95 +/- 0.90   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  30.22 +/- 1.32   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  28.44 +/- 1.32   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  30.57 +/- 0.93   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  31.36 +/- 1.31   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  29.99 +/- 0.85   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 262 (2.39, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 43.1:
    * O T QG    GLN   32 - HA    GLN   32   2.26 +/- 0.14  84.979% * 48.7402% (0.69  10.0 10.00   2.96  44.20) =  96.836%  kept
        T QG    GLN   32 - HA    LYS+  33   4.87 +/- 0.82   2.620% * 50.1570% (0.71   1.0 10.00   4.38  11.38) =   3.072%  kept
        T QG    GLN   32 - HA    GLU-  29   3.91 +/- 1.06  12.388% *  0.3172% (0.45   1.0 10.00   0.02   0.02) =   0.092%
        T HB2   GLU- 100 - HA    GLN   32  12.17 +/- 1.22   0.005% *  0.1355% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    LYS+  33  12.81 +/- 1.02   0.003% *  0.1395% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLU-  29  16.74 +/- 1.18   0.001% *  0.0882% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU-  29  13.65 +/- 0.58   0.002% *  0.0275% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  17.57 +/- 0.75   0.000% *  0.0423% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  18.77 +/- 0.66   0.000% *  0.0435% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.96 +/- 0.68   0.000% *  0.0296% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  18.22 +/- 0.56   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.71 +/- 0.53   0.000% *  0.0304% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  20.13 +/- 0.61   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.37 +/- 0.64   0.000% *  0.0192% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  21.56 +/- 0.47   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  31.26 +/- 1.30   0.000% *  0.0993% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  32.00 +/- 1.11   0.000% *  0.0628% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  29.88 +/- 2.40   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  29.78 +/- 2.30   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  29.58 +/- 2.22   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  31.25 +/- 1.27   0.000% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 263 (4.00, 2.11, 27.95 ppm):
    10 chemical-shift based assignments, quality = 0.692, support = 3.02, residual support = 42.1:
    * O T HA    GLN   32 - QB    GLN   32   2.46 +/- 0.07  67.371% * 46.7473% (0.69  10.0 10.00   2.96  44.20) =  93.931%  kept
        T HA    LYS+  33 - QB    GLN   32   4.04 +/- 0.15   3.572% * 52.0093% (0.76   1.0 10.00   4.38  11.38) =   5.540%  kept
        T HA    GLU-  29 - QB    GLN   32   2.89 +/- 0.35  29.053% *  0.6103% (0.90   1.0 10.00   0.02   0.02) =   0.529%  kept
          HA    VAL   18 - QB    GLN   32  15.37 +/- 0.77   0.001% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    GLN   32  14.08 +/- 0.89   0.002% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    GLN   32  17.01 +/- 1.36   0.001% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    GLN   32  26.93 +/- 0.79   0.000% *  0.3313% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  20.54 +/- 0.84   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  23.78 +/- 0.92   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  26.83 +/- 1.30   0.000% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.0, residual support = 44.2:
    * O T QG    GLN   32 - QB    GLN   32   2.11 +/- 0.02  99.997% * 99.7611% (1.00  10.0 10.00   3.00  44.20) = 100.000%  kept
          QG    GLU-  79 - QB    GLN   32  14.64 +/- 0.75   0.001% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QB    GLN   32  13.04 +/- 1.03   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  18.01 +/- 0.57   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  21.43 +/- 0.61   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  27.14 +/- 2.13   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  28.89 +/- 1.08   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 266 (4.00, 2.39, 33.78 ppm):
    10 chemical-shift based assignments, quality = 0.688, support = 3.0, residual support = 43.0:
    * O T HA    GLN   32 - QG    GLN   32   2.26 +/- 0.14  84.988% * 46.7583% (0.69  10.0 10.00   2.96  44.20) =  96.506%  kept
        T HA    LYS+  33 - QG    GLN   32   4.87 +/- 0.82   2.620% * 52.0216% (0.76   1.0 10.00   4.38  11.38) =   3.310%  kept
        T HA    GLU-  29 - QG    GLN   32   3.91 +/- 1.06  12.389% *  0.6105% (0.90   1.0 10.00   0.02   0.02) =   0.184%
          HB2   SER   82 - QG    GLN   32  17.34 +/- 1.84   0.001% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    GLN   32  16.66 +/- 0.78   0.001% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    GLN   32  14.87 +/- 0.81   0.001% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN  116 - QG    GLN   32  27.48 +/- 1.56   0.000% *  0.3052% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  20.71 +/- 1.19   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  24.77 +/- 1.25   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  27.78 +/- 1.29   0.000% *  0.0331% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 267 (2.11, 2.39, 33.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 44.2:
    * O T QB    GLN   32 - QG    GLN   32   2.11 +/- 0.02  99.993% * 99.6746% (1.00  10.0 10.00   3.00  44.20) = 100.000%  kept
          HB    VAL   24 - QG    GLN   32  12.65 +/- 1.17   0.003% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG    GLN   32  12.41 +/- 1.34   0.003% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  20.24 +/- 0.96   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  15.90 +/- 1.16   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  27.85 +/- 1.43   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  28.59 +/- 1.14   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.2, residual support = 149.9:
    * O T QB    LYS+  33 - HA    LYS+  33   2.20 +/- 0.04  98.725% * 96.5845% (1.00  10.0 10.00   6.20 149.87) =  99.998%  kept
        T QB    LYS+  33 - HA    GLN   32   5.34 +/- 0.21   0.486% *  0.2484% (0.26   1.0 10.00   0.02  11.38) =   0.001%
        T QB    LYS+  33 - HA    GLU-  29   6.01 +/- 0.89   0.375% *  0.2697% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    GLU-  29   5.92 +/- 0.40   0.282% *  0.0067% (0.07   1.0  1.00   0.02  19.15) =   0.000%
          HB3   GLN   30 - HA    LYS+  33   7.90 +/- 0.50   0.051% *  0.0241% (0.25   1.0  1.00   0.02   0.17) =   0.000%
          HB3   LYS+  38 - HA    LYS+  33   9.74 +/- 0.14   0.013% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.62 +/- 0.16   0.057% *  0.0062% (0.06   1.0  1.00   0.02   1.61) =   0.000%
        T QB    LYS+  81 - HA    GLU-  29  17.53 +/- 0.62   0.000% *  0.2602% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LYS+  33  22.74 +/- 0.77   0.000% *  0.9321% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  11.01 +/- 0.26   0.006% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  20.56 +/- 0.69   0.000% *  0.2397% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  18.94 +/- 0.90   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  19.19 +/- 1.11   0.000% *  0.0892% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  19.41 +/- 0.49   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  16.56 +/- 1.19   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  21.08 +/- 0.72   0.000% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  15.60 +/- 0.28   0.001% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  17.86 +/- 0.64   0.000% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  18.77 +/- 0.66   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  19.02 +/- 1.17   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  20.41 +/- 0.76   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  21.67 +/- 1.01   0.000% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  22.37 +/- 0.74   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  32.45 +/- 0.77   0.000% *  0.2408% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  28.10 +/- 1.26   0.000% *  0.0957% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  23.29 +/- 0.93   0.000% *  0.0249% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  23.96 +/- 1.65   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  28.63 +/- 1.13   0.000% *  0.0547% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  29.92 +/- 0.74   0.000% *  0.0672% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  25.72 +/- 1.29   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  32.49 +/- 1.85   0.000% *  0.0932% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  31.43 +/- 0.81   0.000% *  0.0619% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  27.97 +/- 2.03   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  27.65 +/- 1.21   0.000% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  30.46 +/- 1.76   0.000% *  0.0260% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  28.39 +/- 1.26   0.000% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  29.35 +/- 0.87   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  32.50 +/- 1.78   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  26.47 +/- 1.11   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  28.99 +/- 1.96   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  30.54 +/- 1.77   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  27.83 +/- 1.02   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 0.994, support = 5.98, residual support = 148.7:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.13 +/- 0.25  93.366% * 76.3092% (1.00  10.0 10.00   6.00 149.87) =  99.174%  kept
        T HG3   LYS+  33 - HA    GLN   32   6.26 +/- 0.85   2.988% * 19.6245% (0.26   1.0 10.00   4.17  11.38) =   0.816%  kept
        T HG3   LYS+  33 - HA    GLU-  29   7.44 +/- 1.88   3.176% *  0.2130% (0.28   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   LYS+ 102 - HA    LYS+  33  17.41 +/- 2.30   0.006% *  0.7219% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  33  13.96 +/- 2.65   0.067% *  0.0611% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLN   32  15.07 +/- 2.47   0.022% *  0.1856% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  33  12.96 +/- 0.73   0.021% *  0.0736% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  33  12.07 +/- 0.76   0.034% *  0.0401% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  33  13.43 +/- 0.82   0.016% *  0.0756% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLU-  29  11.41 +/- 0.74   0.044% *  0.0206% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLN   32  10.57 +/- 0.81   0.078% *  0.0103% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLU-  29  18.90 +/- 2.27   0.003% *  0.2015% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  33  21.72 +/- 0.80   0.001% *  0.6110% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+  33  23.01 +/- 1.76   0.001% *  0.7563% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLN   32  13.01 +/- 0.69   0.020% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  12.94 +/- 0.95   0.023% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLN   32  13.97 +/- 0.83   0.013% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLN   32  20.00 +/- 0.94   0.002% *  0.1571% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  14.88 +/- 0.75   0.009% *  0.0211% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLU-  29  21.59 +/- 0.96   0.001% *  0.1706% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  14.34 +/- 1.11   0.012% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLN   32  17.54 +/- 2.53   0.007% *  0.0157% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLU-  29  17.04 +/- 2.26   0.006% *  0.0171% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLU-  29  24.73 +/- 1.84   0.000% *  0.2112% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  12.70 +/- 1.13   0.025% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLN   32  25.10 +/- 1.70   0.000% *  0.1945% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  17.78 +/- 0.69   0.003% *  0.0212% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  13.57 +/- 0.60   0.015% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  15.51 +/- 0.36   0.007% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  14.62 +/- 1.32   0.011% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  15.45 +/- 0.37   0.007% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  19.50 +/- 0.49   0.002% *  0.0170% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  18.93 +/- 0.66   0.002% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  17.47 +/- 0.51   0.003% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  18.19 +/- 0.67   0.003% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  23.91 +/- 2.41   0.001% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  16.87 +/- 0.56   0.004% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  26.12 +/- 0.74   0.000% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  34.07 +/- 1.25   0.000% *  0.0684% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  23.64 +/- 2.20   0.001% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  24.39 +/- 0.75   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  25.73 +/- 1.98   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  25.38 +/- 0.82   0.000% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  33.68 +/- 1.24   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  33.69 +/- 1.23   0.000% *  0.0176% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.07 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.79, residual support = 149.9:
    *   T QD    LYS+  33 - HA    LYS+  33   3.47 +/- 0.64  96.339% * 97.7340% (1.00 10.00   4.79 149.87) =  99.990%  kept
        T QD    LYS+  33 - HA    GLU-  29   7.12 +/- 1.61   2.012% *  0.2729% (0.28 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  33 - HA    GLN   32   6.88 +/- 1.19   1.626% *  0.2513% (0.26 10.00   0.02  11.38) =   0.004%
          HD2   LYS+  74 - HA    LYS+  33  19.33 +/- 0.73   0.005% *  0.0553% (0.57  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  33  33.55 +/- 1.78   0.000% *  0.8765% (0.90 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  17.53 +/- 0.40   0.008% *  0.0154% (0.16  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  33  23.71 +/- 1.14   0.001% *  0.0848% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  33  27.89 +/- 2.29   0.001% *  0.0977% (1.00  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  19.69 +/- 0.61   0.004% *  0.0142% (0.15  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLU-  29  32.50 +/- 1.59   0.000% *  0.2447% (0.25 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLN   32  32.28 +/- 1.93   0.000% *  0.2254% (0.23 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  22.85 +/- 1.11   0.002% *  0.0237% (0.24  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  24.11 +/- 1.13   0.001% *  0.0218% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  28.97 +/- 2.21   0.000% *  0.0251% (0.26  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  30.84 +/- 2.14   0.000% *  0.0273% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  33.47 +/- 1.84   0.000% *  0.0193% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  31.46 +/- 1.77   0.000% *  0.0054% (0.06  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  33.47 +/- 1.80   0.000% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.17 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.773, support = 4.9, residual support = 112.7:
    *   T QE    LYS+  33 - HA    LYS+  33   3.87 +/- 0.75  26.944% * 50.1596% (1.00 10.00   5.44 149.87) =  71.274%  kept
        T HB2   ASN   28 - HA    GLU-  29   3.91 +/- 0.13  21.035% * 13.7267% (0.27 10.00   4.82  33.82) =  15.227%  kept
        T HB2   ASN   35 - HA    GLN   32   3.52 +/- 0.62  45.535% *  4.4002% (0.09 10.00   2.10   6.11) =  10.566%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.57 +/- 0.20   2.435% * 17.0307% (0.34 10.00   1.99   1.35) =   2.187%  kept
        T QE    LYS+  33 - HA    GLN   32   6.88 +/- 1.20   1.063% * 12.8996% (0.26 10.00   3.27  11.38) =   0.723%  kept
        T QE    LYS+  33 - HA    GLU-  29   6.89 +/- 1.74   2.400% *  0.1400% (0.28 10.00   0.02   0.02) =   0.018%
        T HB2   ASN   28 - HA    GLN   32   7.90 +/- 0.44   0.334% *  0.1264% (0.25 10.00   0.02   0.02) =   0.002%
        T HB2   ASN   28 - HA    LYS+  33  10.63 +/- 0.53   0.056% *  0.4917% (0.98 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   35 - HA    GLU-  29   8.76 +/- 0.58   0.163% *  0.0478% (0.10 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+  33  21.69 +/- 2.06   0.001% *  0.4498% (0.90 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLU-  29  16.90 +/- 0.89   0.003% *  0.0312% (0.06 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  33  21.39 +/- 0.90   0.001% *  0.1117% (0.22 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLU-  29  23.08 +/- 2.35   0.001% *  0.1256% (0.25 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  14.99 +/- 0.70   0.007% *  0.0096% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  14.86 +/- 1.40   0.008% *  0.0077% (0.15  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLN   32  23.67 +/- 2.04   0.001% *  0.1157% (0.23 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  19.43 +/- 0.97   0.001% *  0.0345% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  16.20 +/- 0.93   0.005% *  0.0089% (0.18  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  20.61 +/- 0.93   0.001% *  0.0287% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  20.73 +/- 0.79   0.001% *  0.0091% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  25.67 +/- 0.77   0.000% *  0.0324% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  17.47 +/- 1.15   0.003% *  0.0020% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  24.55 +/- 0.74   0.000% *  0.0083% (0.17  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  19.84 +/- 0.96   0.001% *  0.0022% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 149.9:
    * O T HA    LYS+  33 - QB    LYS+  33   2.20 +/- 0.04  98.755% * 98.1731% (1.00  10.0 10.00   6.20 149.87) =  99.995%  kept
        T HA    GLU-  29 - QB    LYS+  33   6.01 +/- 0.89   0.375% *  0.9474% (0.97   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLN   32 - QB    LYS+  33   5.34 +/- 0.21   0.486% *  0.2730% (0.28   1.0 10.00   0.02  11.38) =   0.001%
          HB2   SER   37 - QB    LYS+  33   5.77 +/- 0.53   0.369% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    LYS+  33  10.51 +/- 0.87   0.010% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  33  12.25 +/- 0.74   0.004% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    LYS+  33  19.27 +/- 1.55   0.000% *  0.0880% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  26.06 +/- 0.72   0.000% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  24.47 +/- 1.31   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  23.08 +/- 0.81   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  21.93 +/- 0.72   0.000% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.2, residual support = 149.9:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.48 +/- 0.09  99.856% * 96.3761% (1.00  10.0 10.00   6.20 149.87) = 100.000%  kept
        T QB    LEU   98 - QB    LYS+  33  10.61 +/- 0.64   0.017% *  0.5071% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+  33  11.38 +/- 2.17   0.060% *  0.0772% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+  33   9.73 +/- 0.75   0.031% *  0.0930% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+  33  10.70 +/- 0.86   0.018% *  0.0955% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QB    LYS+  33  16.16 +/- 1.85   0.002% *  0.9117% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+  33  18.77 +/- 1.61   0.001% *  0.9552% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+  33  18.83 +/- 0.70   0.001% *  0.7717% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  12.34 +/- 1.00   0.008% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+  33  13.83 +/- 0.64   0.003% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  16.38 +/- 0.47   0.001% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  15.54 +/- 0.73   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  20.71 +/- 2.02   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  21.78 +/- 0.69   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  29.04 +/- 1.10   0.000% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 149.9:
    * O T QD    LYS+  33 - QB    LYS+  33   2.25 +/- 0.23  99.998% * 97.3258% (1.00  10.0 10.00   5.07 149.87) = 100.000%  kept
        T HD2   LYS+  74 - QB    LYS+  33  15.30 +/- 0.70   0.001% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - QB    LYS+  33  24.00 +/- 1.99   0.000% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QB    LYS+  33  19.61 +/- 1.06   0.000% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  33  28.86 +/- 1.49   0.000% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  27.99 +/- 1.69   0.000% *  0.1926% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 5.64, residual support = 149.9:
    *   T QE    LYS+  33 - QB    LYS+  33   2.73 +/- 0.67  98.756% * 98.6189% (1.00 10.00   5.64 149.87) =  99.999%  kept
          HB2   ASN   35 - QB    LYS+  33   6.57 +/- 0.34   1.022% *  0.0336% (0.34  1.00   0.02   1.35) =   0.000%
          HB2   ASN   28 - QB    LYS+  33   8.89 +/- 0.73   0.187% *  0.0967% (0.98  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QB    LYS+  33  17.72 +/- 1.92   0.003% *  0.8844% (0.90 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  33  17.27 +/- 0.84   0.003% *  0.2196% (0.22 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QB    LYS+  33  12.61 +/- 1.35   0.024% *  0.0152% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  33  16.62 +/- 0.92   0.004% *  0.0677% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  21.17 +/- 0.77   0.001% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 5.47 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 = 6.0, residual support = 149.8:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.13 +/- 0.25  84.205% * 93.2464% (1.00  10.0 10.00   6.00 149.87) =  99.951%  kept
        T HA    GLU-  29 - HG3   LYS+  33   7.44 +/- 1.88   3.151% *  0.8999% (0.97   1.0 10.00   0.02   0.02) =   0.036%
        T HA    GLN   32 - HG3   LYS+  33   6.26 +/- 0.85   2.919% *  0.2593% (0.28   1.0 10.00   0.02  11.38) =   0.010%
          HB2   SER   37 - HG3   LYS+  33   5.59 +/- 2.01   9.265% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   18 - HG3   LYS+  65   9.05 +/- 1.76   0.257% *  0.0762% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  33  11.14 +/- 1.57   0.050% *  0.0809% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  15.07 +/- 2.47   0.021% *  0.1288% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 102  17.41 +/- 2.30   0.006% *  0.4632% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  65  12.56 +/- 1.05   0.024% *  0.0698% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 102  18.90 +/- 2.27   0.003% *  0.4470% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+  33  13.78 +/- 0.70   0.013% *  0.0882% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 106  13.53 +/- 0.92   0.016% *  0.0514% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  65  14.26 +/- 1.21   0.011% *  0.0698% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 106  21.59 +/- 0.96   0.001% *  0.5718% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 106  21.72 +/- 0.80   0.001% *  0.5925% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+  65  23.01 +/- 1.76   0.001% *  0.8052% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 106  15.01 +/- 1.06   0.008% *  0.0514% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+  65  24.73 +/- 1.84   0.000% *  0.7771% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  15.90 +/- 1.26   0.006% *  0.0402% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  13.95 +/- 1.14   0.014% *  0.0183% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  20.00 +/- 0.94   0.001% *  0.1647% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 106  17.77 +/- 0.91   0.003% *  0.0561% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  19.44 +/- 0.78   0.002% *  0.0914% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  33  22.05 +/- 2.45   0.001% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  25.10 +/- 1.70   0.000% *  0.2239% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  19.98 +/- 1.68   0.002% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  16.58 +/- 2.18   0.006% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  21.24 +/- 1.19   0.001% *  0.0531% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  22.09 +/- 1.30   0.001% *  0.0438% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  22.66 +/- 1.71   0.001% *  0.0402% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  19.93 +/- 2.03   0.002% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  20.04 +/- 1.69   0.001% *  0.0179% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  22.17 +/- 0.87   0.001% *  0.0312% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  24.20 +/- 1.78   0.001% *  0.0415% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  26.90 +/- 1.66   0.000% *  0.0809% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  20.09 +/- 1.20   0.001% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.18 +/- 1.42   0.000% *  0.0491% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  20.52 +/- 0.79   0.001% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  24.65 +/- 1.41   0.000% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  28.83 +/- 1.42   0.000% *  0.0722% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  27.04 +/- 1.30   0.000% *  0.0249% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  30.07 +/- 1.37   0.000% *  0.0244% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  29.26 +/- 1.05   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.20 +/- 1.39   0.000% *  0.0071% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.832, support = 6.09, residual support = 144.0:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.48 +/- 0.09  44.253% * 60.0127% (1.00  10.0 10.00   6.20 149.87) =  57.838%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.40 +/- 0.06  53.665% * 36.0742% (0.60  10.0 10.00   5.95 135.84) =  42.161%  kept
          HB3   ASP- 105 - HG3   LYS+ 106   5.22 +/- 0.22   0.523% *  0.0374% (0.62   1.0  1.00   0.02  19.38) =   0.000%
          HB    ILE  103 - HG3   LYS+ 102   6.15 +/- 1.12   0.673% *  0.0282% (0.47   1.0  1.00   0.02  22.37) =   0.000%
          HB    ILE  103 - HG3   LYS+ 106   5.56 +/- 0.63   0.428% *  0.0361% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  33   6.61 +/- 1.56   0.388% *  0.0150% (0.25   1.0  1.00   0.02   0.17) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+ 102  11.33 +/- 1.31   0.008% *  0.2820% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  65  10.11 +/- 2.00   0.025% *  0.0478% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  33  10.05 +/- 1.52   0.015% *  0.0247% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 102  16.16 +/- 1.85   0.001% *  0.2981% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  65  17.60 +/- 0.99   0.000% *  0.4902% (0.82   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  33  18.32 +/- 0.64   0.000% *  0.5677% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+  65  18.77 +/- 1.61   0.000% *  0.5182% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  12.27 +/- 1.14   0.004% *  0.0292% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 106  18.83 +/- 0.70   0.000% *  0.3814% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  12.63 +/- 2.30   0.005% *  0.0123% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  14.43 +/- 1.36   0.001% *  0.0293% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  13.56 +/- 1.47   0.002% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  15.99 +/- 1.54   0.001% *  0.0378% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  65  17.00 +/- 1.95   0.001% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  17.38 +/- 2.03   0.000% *  0.0554% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  17.16 +/- 1.66   0.000% *  0.0508% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  14.93 +/- 1.14   0.001% *  0.0216% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  18.38 +/- 0.97   0.000% *  0.0568% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  18.80 +/- 2.30   0.000% *  0.0352% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  19.76 +/- 0.96   0.000% *  0.0588% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  19.09 +/- 0.89   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  14.92 +/- 1.19   0.001% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  21.85 +/- 1.67   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  16.33 +/- 0.93   0.001% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  21.23 +/- 2.72   0.000% *  0.0275% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  17.17 +/- 2.14   0.001% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  18.87 +/- 0.75   0.000% *  0.0157% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  17.54 +/- 1.01   0.000% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  19.13 +/- 1.72   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  23.49 +/- 1.17   0.000% *  0.0490% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  22.44 +/- 0.81   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  18.18 +/- 0.90   0.000% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  24.53 +/- 1.61   0.000% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  25.52 +/- 1.36   0.000% *  0.0514% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  23.71 +/- 1.92   0.000% *  0.0295% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  20.85 +/- 1.43   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  23.58 +/- 1.26   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  26.86 +/- 1.74   0.000% *  0.0595% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  22.95 +/- 1.29   0.000% *  0.0213% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  26.64 +/- 1.15   0.000% *  0.0340% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  21.44 +/- 1.52   0.000% *  0.0080% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  30.42 +/- 1.82   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  25.09 +/- 1.31   0.000% *  0.0169% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  22.82 +/- 1.94   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  26.16 +/- 2.28   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  32.11 +/- 1.54   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  24.81 +/- 1.62   0.000% *  0.0046% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  27.71 +/- 1.07   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  30.65 +/- 1.15   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.55 +/- 1.56   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.55, residual support = 149.9:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.36 +/- 0.15  99.948% * 94.8130% (1.00  10.0 10.00   4.55 149.87) = 100.000%  kept
        T HD3   LYS+ 111 - HG3   LYS+ 106  13.84 +/- 2.16   0.005% *  0.5403% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  65   9.63 +/- 1.21   0.030% *  0.0710% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+  65  18.30 +/- 2.43   0.001% *  0.8188% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 102  17.35 +/- 2.06   0.001% *  0.4710% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  65  12.02 +/- 1.61   0.008% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  14.79 +/- 1.54   0.002% *  0.0819% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 106  19.78 +/- 0.98   0.000% *  0.6025% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  65  23.13 +/- 1.41   0.000% *  0.7343% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  16.75 +/- 1.29   0.001% *  0.0602% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  16.23 +/- 0.64   0.001% *  0.0523% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 102  24.44 +/- 2.67   0.000% *  0.4224% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  17.25 +/- 1.04   0.001% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  17.05 +/- 1.04   0.001% *  0.0341% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  33  31.90 +/- 1.68   0.000% *  0.8503% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  21.90 +/- 1.14   0.000% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  17.67 +/- 2.03   0.001% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  22.41 +/- 2.13   0.000% *  0.0471% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  33  26.18 +/- 2.66   0.000% *  0.0948% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  23.80 +/- 1.15   0.000% *  0.0409% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  23.18 +/- 1.32   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  23.11 +/- 0.91   0.000% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  31.41 +/- 1.80   0.000% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  32.91 +/- 1.47   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.862, support = 4.61, residual support = 159.0:
      O T QE    LYS+  65 - HG3   LYS+  65   2.27 +/- 0.29  66.929% * 42.3520% (0.77  10.0 10.00   4.28 164.85) =  61.129%  kept
    * O T QE    LYS+  33 - HG3   LYS+  33   2.74 +/- 0.57  32.960% * 54.6859% (1.00  10.0 10.00   5.13 149.87) =  38.871%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.20 +/- 0.40   0.080% *  0.0187% (0.34   1.0  1.00   0.02   1.35) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33  10.57 +/- 1.86   0.012% *  0.0536% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  18.66 +/- 2.68   0.000% *  0.4722% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.60 +/- 2.12   0.001% *  0.2717% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  19.75 +/- 2.30   0.000% *  0.4904% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  20.04 +/- 1.11   0.000% *  0.3475% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  19.96 +/- 1.09   0.000% *  0.3116% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  13.40 +/- 1.15   0.003% *  0.0239% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  13.04 +/- 2.63   0.006% *  0.0093% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  13.33 +/- 2.29   0.004% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  65  19.76 +/- 1.95   0.000% *  0.1051% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  33  19.80 +/- 1.55   0.000% *  0.1217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  13.69 +/- 1.48   0.002% *  0.0073% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  25.15 +/- 1.41   0.000% *  0.2436% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  20.72 +/- 0.73   0.000% *  0.0774% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  18.79 +/- 1.66   0.000% *  0.0376% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  16.56 +/- 1.47   0.001% *  0.0187% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  18.82 +/- 2.02   0.000% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.33 +/- 1.11   0.000% *  0.0341% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  22.95 +/- 2.12   0.000% *  0.0305% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  19.29 +/- 1.18   0.000% *  0.0119% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  25.21 +/- 1.76   0.000% *  0.0463% (0.85   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  26.13 +/- 1.28   0.000% *  0.0605% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  18.09 +/- 1.93   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  24.16 +/- 1.53   0.000% *  0.0354% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  23.01 +/- 0.99   0.000% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  18.18 +/- 1.30   0.000% *  0.0054% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  25.24 +/- 1.25   0.000% *  0.0324% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  25.32 +/- 1.46   0.000% *  0.0161% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  29.19 +/- 1.27   0.000% *  0.0176% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.79, residual support = 149.8:
    *   T HA    LYS+  33 - QD    LYS+  33   3.47 +/- 0.64  83.507% * 96.0049% (1.00 10.00   4.79 149.87) =  99.970%  kept
        T HA    GLU-  29 - QD    LYS+  33   7.12 +/- 1.61   1.841% *  0.9265% (0.97 10.00   0.02   0.02) =   0.021%
        T HA    GLN   32 - QD    LYS+  33   6.88 +/- 1.19   1.428% *  0.2669% (0.28 10.00   0.02  11.38) =   0.005%
          HB2   SER   37 - QD    LYS+  33   5.82 +/- 1.28  12.698% *  0.0214% (0.22  1.00   0.02   0.02) =   0.003%
          HA    VAL   70 - QD    LYS+  33  10.44 +/- 1.72   0.283% *  0.0833% (0.87  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QD    LYS+  33  12.00 +/- 1.11   0.086% *  0.0908% (0.95  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   LYS+ 111  11.45 +/- 0.87   0.103% *  0.0746% (0.78  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  14.42 +/- 1.42   0.033% *  0.0133% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD    LYS+  33  20.27 +/- 1.93   0.003% *  0.0861% (0.90  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  17.86 +/- 1.54   0.007% *  0.0266% (0.28  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HD3   LYS+ 111  32.50 +/- 1.59   0.000% *  0.8303% (0.86 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HD3   LYS+ 111  33.55 +/- 1.78   0.000% *  0.8603% (0.90 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HD3   LYS+ 111  21.08 +/- 1.37   0.002% *  0.0453% (0.47  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  23.73 +/- 0.96   0.001% *  0.0814% (0.85  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD    LYS+  33  24.67 +/- 1.75   0.001% *  0.0833% (0.87  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  24.65 +/- 1.87   0.001% *  0.0746% (0.78  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  23.38 +/- 0.98   0.001% *  0.0505% (0.53  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  32.28 +/- 1.93   0.000% *  0.2392% (0.25 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  26.82 +/- 1.50   0.001% *  0.0772% (0.80  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  23.06 +/- 0.94   0.001% *  0.0296% (0.31  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  26.47 +/- 0.80   0.001% *  0.0148% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  32.16 +/- 1.95   0.000% *  0.0192% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (1.86, 1.63, 29.57 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 149.9:
    * O T QB    LYS+  33 - QD    LYS+  33   2.25 +/- 0.23  99.672% * 94.1852% (1.00  10.0 10.00   5.07 149.87) = 100.000%  kept
          HB3   GLN   30 - QD    LYS+  33   6.59 +/- 0.94   0.257% *  0.0235% (0.25   1.0  1.00   0.02   0.17) =   0.000%
        T HG3   PRO   68 - QD    LYS+  33  15.58 +/- 2.25   0.001% *  0.8694% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   LYS+ 111  11.21 +/- 1.71   0.009% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HD3   LYS+ 111  16.84 +/- 1.53   0.001% *  0.8145% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   LYS+ 111  10.70 +/- 1.58   0.013% *  0.0478% (0.51   1.0  1.00   0.02   2.22) =   0.000%
          HB3   LYS+  38 - QD    LYS+  33  10.34 +/- 0.76   0.014% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  11.09 +/- 1.36   0.011% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  15.87 +/- 3.29   0.002% *  0.0837% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  10.99 +/- 1.88   0.014% *  0.0130% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  14.97 +/- 2.08   0.002% *  0.0827% (0.88   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD3   LYS+ 111  17.72 +/- 1.35   0.001% *  0.2105% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   LYS+ 111  25.57 +/- 3.37   0.000% *  0.7791% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  17.48 +/- 0.69   0.001% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  18.03 +/- 0.87   0.000% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - QD    LYS+  33  27.21 +/- 1.87   0.000% *  0.9090% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  18.84 +/- 1.04   0.000% *  0.0923% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  18.99 +/- 2.14   0.000% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  19.93 +/- 1.15   0.000% *  0.0909% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  33  23.91 +/- 2.35   0.000% *  0.2349% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD3   LYS+ 111  28.86 +/- 1.49   0.000% *  0.8440% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  21.71 +/- 1.41   0.000% *  0.0815% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  24.77 +/- 1.38   0.000% *  0.0934% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  24.25 +/- 1.23   0.000% *  0.0533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  25.41 +/- 0.86   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  27.87 +/- 0.78   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  27.75 +/- 1.44   0.000% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  31.51 +/- 2.25   0.000% *  0.0347% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 149.9:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.36 +/- 0.15  99.637% * 93.1714% (1.00  10.0 10.00   4.55 149.87) = 100.000%  kept
          HB2   LYS+ 112 - HD3   LYS+ 111   7.43 +/- 0.95   0.166% *  0.0749% (0.80   1.0  1.00   0.02  28.03) =   0.000%
          QB    ALA   12 - QD    LYS+  33  10.39 +/- 2.19   0.117% *  0.0746% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD3   LYS+ 111  13.84 +/- 2.16   0.005% *  0.6686% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  33  10.31 +/- 1.13   0.023% *  0.0899% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HD3   LYS+ 111  14.80 +/- 2.80   0.005% *  0.2082% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  33  11.15 +/- 1.25   0.012% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  33  17.35 +/- 2.06   0.001% *  0.8814% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+  33  18.30 +/- 2.43   0.001% *  0.9235% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  33  11.68 +/- 0.87   0.008% *  0.0490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  11.00 +/- 1.04   0.013% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  33  19.78 +/- 0.98   0.000% *  0.7461% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD3   LYS+ 111  23.13 +/- 1.41   0.000% *  0.8275% (0.89   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD3   LYS+ 111  24.44 +/- 2.67   0.000% *  0.7898% (0.85   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  13.99 +/- 0.83   0.003% *  0.0259% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.43 +/- 1.23   0.004% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  21.12 +/- 1.74   0.000% *  0.0828% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  16.53 +/- 1.22   0.001% *  0.0186% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  19.39 +/- 1.64   0.000% *  0.0439% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  17.16 +/- 0.76   0.001% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD3   LYS+ 111  31.90 +/- 1.68   0.000% *  0.8349% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  16.40 +/- 1.16   0.001% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  23.27 +/- 1.25   0.000% *  0.0806% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  21.21 +/- 2.42   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  20.39 +/- 1.88   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  22.23 +/- 0.93   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  23.11 +/- 0.91   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  29.40 +/- 1.46   0.000% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  23.92 +/- 1.79   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  32.41 +/- 0.99   0.000% *  0.0669% (0.72   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 297 (1.63, 1.63, 29.57 ppm):
    2 diagonal assignments:
    *     QD    LYS+  33 - QD    LYS+  33  (1.00)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.80)  kept
 
    Peak 298 (2.92, 1.63, 29.57 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.21, residual support = 149.9:
    * O T QE    LYS+  33 - QD    LYS+  33   2.10 +/- 0.03  99.935% * 96.5704% (1.00  10.0 10.00   4.21 149.87) = 100.000%  kept
          HB2   ASN   35 - QD    LYS+  33   7.96 +/- 0.75   0.044% *  0.0329% (0.34   1.0  1.00   0.02   1.35) =   0.000%
          HB2   ASN   28 - QD    LYS+  33  10.08 +/- 1.46   0.013% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  33  17.24 +/- 2.54   0.001% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  12.21 +/- 2.32   0.006% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  21.70 +/- 1.21   0.000% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  33  17.67 +/- 1.05   0.000% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  17.89 +/- 1.22   0.000% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.64 +/- 1.73   0.000% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD3   LYS+ 111  24.12 +/- 1.28   0.000% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  21.44 +/- 1.55   0.000% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  21.59 +/- 0.97   0.000% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  24.36 +/- 2.01   0.000% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  30.60 +/- 1.74   0.000% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  27.45 +/- 2.67   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  32.14 +/- 2.19   0.000% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.989, support = 5.4, residual support = 147.8:
    *   T HA    LYS+  33 - QE    LYS+  33   3.87 +/- 0.75  63.080% * 76.3050% (1.00 10.00   5.44 149.87) =  98.549%  kept
        T HA    GLN   32 - QE    LYS+  33   6.88 +/- 1.20   3.011% * 21.2156% (0.28 10.00   3.27  11.38) =   1.308%  kept
        T HA    GLU-  29 - QE    LYS+  33   6.89 +/- 1.74   8.889% *  0.7364% (0.97 10.00   0.02   0.02) =   0.134%
          HB2   SER   37 - QE    LYS+  33   6.21 +/- 1.94  20.662% *  0.0170% (0.22  1.00   0.02   0.02) =   0.007%
          HA    VAL   18 - QE    LYS+  65   9.00 +/- 2.17   1.521% *  0.0371% (0.49  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QE    LYS+  33  10.97 +/- 1.92   0.272% *  0.0662% (0.87  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASP-  76   7.80 +/- 1.33   1.973% *  0.0060% (0.08  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QE    LYS+  33  12.30 +/- 1.49   0.148% *  0.0722% (0.95  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QE    LYS+  65  12.87 +/- 0.98   0.070% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  65  13.91 +/- 1.18   0.046% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   ASP-  76  16.90 +/- 0.89   0.012% *  0.1098% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QE    LYS+  65  21.69 +/- 2.06   0.003% *  0.3923% (0.51 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASP-  76  11.41 +/- 0.56   0.125% *  0.0102% (0.13  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QE    LYS+  65  23.08 +/- 2.35   0.002% *  0.3786% (0.50 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASP-  76  12.82 +/- 0.77   0.066% *  0.0108% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  33  20.14 +/- 1.87   0.005% *  0.0684% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   ASP-  76  21.39 +/- 0.90   0.003% *  0.1138% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  23.67 +/- 2.04   0.002% *  0.1091% (0.14 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  65  17.97 +/- 1.93   0.009% *  0.0206% (0.27  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  20.61 +/- 0.93   0.004% *  0.0316% (0.04 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  33  25.03 +/- 2.01   0.001% *  0.0662% (0.87  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  13.71 +/- 1.27   0.047% *  0.0018% (0.02  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  23.44 +/- 1.45   0.002% *  0.0401% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  15.22 +/- 0.47   0.021% *  0.0035% (0.05  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  19.20 +/- 1.73   0.007% *  0.0087% (0.11  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  18.30 +/- 1.19   0.008% *  0.0061% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  23.11 +/- 1.08   0.002% *  0.0236% (0.31  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  20.45 +/- 0.61   0.004% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  65  26.53 +/- 1.83   0.001% *  0.0352% (0.46  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  23.89 +/- 1.20   0.002% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  25.25 +/- 1.38   0.001% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.58 +/- 1.26   0.001% *  0.0118% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  23.70 +/- 1.02   0.002% *  0.0025% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.16 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 149.9:
    *   T QB    LYS+  33 - QE    LYS+  33   2.73 +/- 0.67  98.120% * 97.9499% (1.00 10.00   5.64 149.87) =  99.999%  kept
          HB3   GLN   30 - QE    LYS+  33   6.63 +/- 1.13   1.252% *  0.0244% (0.25  1.00   0.02   0.17) =   0.000%
          HG3   PRO   68 - QE    LYS+  65  10.52 +/- 1.84   0.139% *  0.0465% (0.47  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  33  10.65 +/- 1.52   0.098% *  0.0403% (0.41  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP-  76   8.37 +/- 0.60   0.238% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QE    LYS+  65  17.72 +/- 1.92   0.003% *  0.5035% (0.51 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  65  13.62 +/- 1.38   0.028% *  0.0285% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+  33  16.11 +/- 2.49   0.007% *  0.0904% (0.92  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB2   ASP-  76  17.27 +/- 0.84   0.003% *  0.1461% (0.15 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  65  15.08 +/- 1.95   0.009% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  13.34 +/- 1.75   0.019% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  33  17.70 +/- 0.89   0.002% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  13.59 +/- 1.98   0.015% *  0.0145% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  17.08 +/- 1.45   0.004% *  0.0494% (0.50  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  33  18.27 +/- 0.97   0.002% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  33  19.17 +/- 1.32   0.002% *  0.0960% (0.98  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  17.13 +/- 0.86   0.003% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  19.84 +/- 1.30   0.001% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  16.13 +/- 2.07   0.005% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  16.63 +/- 0.59   0.004% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  13.72 +/- 1.18   0.013% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  14.74 +/- 2.18   0.015% *  0.0023% (0.02  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  18.19 +/- 2.15   0.003% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  24.86 +/- 1.48   0.000% *  0.0971% (0.99  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  22.46 +/- 1.98   0.001% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  22.66 +/- 0.99   0.001% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  17.26 +/- 1.44   0.003% *  0.0083% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  19.15 +/- 1.18   0.002% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  23.59 +/- 1.44   0.000% *  0.0499% (0.51  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  24.52 +/- 1.48   0.000% *  0.0555% (0.57  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  27.39 +/- 2.08   0.000% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  16.77 +/- 1.07   0.004% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  22.03 +/- 1.26   0.001% *  0.0207% (0.21  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  22.08 +/- 0.94   0.001% *  0.0143% (0.15  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  22.20 +/- 0.80   0.001% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  20.01 +/- 1.44   0.001% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  24.32 +/- 2.56   0.000% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  24.82 +/- 1.18   0.000% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  25.54 +/- 1.40   0.000% *  0.0151% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  28.02 +/- 1.06   0.000% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  26.91 +/- 0.84   0.000% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  27.62 +/- 1.06   0.000% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 4.71 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 = 0.75, support = 4.7, residual support = 157.5:
      O T HG3   LYS+  65 - QE    LYS+  65   2.27 +/- 0.29  66.577% * 32.5421% (0.51  10.0 10.00   4.28 164.85) =  50.886%  kept
    * O T HG3   LYS+  33 - QE    LYS+  33   2.74 +/- 0.57  32.740% * 63.8684% (1.00  10.0 10.00   5.13 149.87) =  49.114%  kept
          QB    ALA   12 - QE    LYS+  33  10.47 +/- 2.21   0.030% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  33  10.45 +/- 1.47   0.019% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.63 +/- 0.94   0.372% *  0.0015% (0.02   1.0  1.00   0.02   3.05) =   0.000%
          HB    VAL   42 - QE    LYS+  33  11.56 +/- 1.52   0.008% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   6.91 +/- 0.98   0.159% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  33  17.60 +/- 2.12   0.001% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  33  18.66 +/- 2.68   0.000% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  11.93 +/- 0.99   0.005% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   7.76 +/- 0.23   0.051% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  33  20.04 +/- 1.11   0.000% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76  10.45 +/- 1.02   0.011% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  65  13.13 +/- 1.08   0.002% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  14.29 +/- 2.32   0.003% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  65  19.75 +/- 2.30   0.000% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  65  19.96 +/- 1.09   0.000% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  65  14.32 +/- 2.02   0.002% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65  12.65 +/- 2.65   0.006% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  14.10 +/- 1.18   0.002% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  13.71 +/- 1.36   0.002% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   ASP-  76  19.76 +/- 1.95   0.000% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  19.80 +/- 1.55   0.000% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  17.63 +/- 1.98   0.001% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  65  25.15 +/- 1.41   0.000% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  20.72 +/- 0.73   0.000% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  14.95 +/- 1.14   0.001% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  17.16 +/- 0.93   0.000% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  16.35 +/- 1.28   0.001% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  17.75 +/- 0.88   0.000% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  16.35 +/- 0.54   0.001% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  17.39 +/- 1.85   0.001% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  13.99 +/- 0.96   0.002% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  26.13 +/- 1.28   0.000% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  21.57 +/- 2.37   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  18.76 +/- 1.60   0.000% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  17.77 +/- 0.85   0.000% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  22.45 +/- 1.24   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  18.93 +/- 1.29   0.000% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  29.66 +/- 1.83   0.000% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  21.32 +/- 1.65   0.000% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  21.12 +/- 1.99   0.000% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  24.28 +/- 1.72   0.000% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  18.31 +/- 1.17   0.000% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  24.91 +/- 1.71   0.000% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (1.63, 2.92, 42.01 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.21, residual support = 149.9:
    * O T QD    LYS+  33 - QE    LYS+  33   2.10 +/- 0.03  99.892% * 97.4730% (1.00  10.0 10.00   4.21 149.87) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  65   8.66 +/- 1.15   0.027% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   ASP-  76   8.12 +/- 1.40   0.068% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+  65  17.24 +/- 2.54   0.001% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  11.40 +/- 1.87   0.006% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  14.50 +/- 1.70   0.001% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  17.67 +/- 1.05   0.000% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.55 +/- 1.49   0.001% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  21.70 +/- 1.21   0.000% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  12.90 +/- 1.35   0.002% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  19.79 +/- 1.46   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.64 +/- 1.73   0.000% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  15.64 +/- 1.84   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  24.12 +/- 1.28   0.000% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  33  24.40 +/- 2.92   0.000% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  17.05 +/- 2.08   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  28.26 +/- 2.05   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  28.93 +/- 1.64   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 25.7:
    * O T QB    ALA   34 - HA    ALA   34   2.13 +/- 0.02  89.235% * 99.3602% (0.80  10.0 10.00   1.93  25.66) =  99.996%  kept
          QG2   THR   39 - HA    ALA   34   4.06 +/- 0.93  10.690% *  0.0308% (0.25   1.0  1.00   0.02   8.06) =   0.004%
          HG3   LYS+  38 - HA    ALA   34   7.07 +/- 0.39   0.072% *  0.0583% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA   34  15.14 +/- 0.63   0.001% *  0.1098% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   34 - HA    ALA  124  18.83 +/- 1.79   0.000% *  0.2281% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  19.98 +/- 1.82   0.000% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  15.53 +/- 2.25   0.001% *  0.0071% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  17.48 +/- 1.11   0.000% *  0.0185% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  18.37 +/- 0.58   0.000% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  22.44 +/- 0.94   0.000% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  22.53 +/- 2.30   0.000% *  0.0134% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  28.76 +/- 1.31   0.000% *  0.0252% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  24.31 +/- 2.11   0.000% *  0.0071% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  24.37 +/- 0.86   0.000% *  0.0057% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.7:
    * O T HA    ALA   34 - QB    ALA   34   2.13 +/- 0.02  99.308% * 98.8230% (0.80  10.0 10.00   1.93  25.66) =  99.999%  kept
          HA1   GLY  101 - QB    ALA   34   6.99 +/- 1.91   0.488% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    ALA   34   6.96 +/- 0.22   0.084% *  0.1092% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   34   6.67 +/- 0.01   0.107% *  0.0170% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   34   9.68 +/- 0.43   0.012% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   34  18.83 +/- 1.79   0.000% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  18.07 +/- 1.15   0.000% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  20.18 +/- 1.09   0.000% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  17.68 +/- 0.58   0.000% *  0.0245% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  22.62 +/- 1.34   0.000% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 308 (1.28, 1.28, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   34 - QB    ALA   34  (0.80)  kept
 
    Peak 309 (4.38, 4.38, 56.42 ppm):
    3 diagonal assignments:
    *     HA    ASN   35 - HA    ASN   35  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.14)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.04)  kept
 
    Peak 310 (2.95, 4.38, 56.42 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.02, residual support = 55.3:
    * O T HB2   ASN   35 - HA    ASN   35   2.72 +/- 0.04  99.553% * 98.4270% (1.00  10.0 10.00   4.02  55.35) = 100.000%  kept
        T HB2   ASN   35 - HA    LEU   40   9.72 +/- 0.58   0.051% *  0.3690% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   35   8.37 +/- 0.93   0.173% *  0.0336% (0.34   1.0  1.00   0.02   1.35) =   0.000%
        T HB2   ASN   28 - HA    ASN   35  12.99 +/- 0.38   0.009% *  0.4413% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15  10.38 +/- 1.70   0.061% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    GLU-  15   9.98 +/- 1.92   0.087% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    LEU   40  10.74 +/- 1.34   0.041% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LEU   40  15.79 +/- 0.48   0.003% *  0.1654% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    GLU-  15  17.39 +/- 1.10   0.002% *  0.1825% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    GLU-  15  18.40 +/- 0.86   0.001% *  0.0818% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  18.67 +/- 1.01   0.001% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  17.53 +/- 0.95   0.001% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  13.60 +/- 1.05   0.007% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  17.70 +/- 1.05   0.001% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  17.06 +/- 1.44   0.002% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  14.83 +/- 0.71   0.004% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  22.98 +/- 1.53   0.000% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  18.27 +/- 1.24   0.001% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  23.27 +/- 1.44   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  23.03 +/- 1.04   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  20.70 +/- 1.07   0.001% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (2.95, 2.95, 38.12 ppm):
    2 diagonal assignments:
    *     HB2   ASN   35 - HB2   ASN   35  (1.00)  kept
          HB2   ASN   28 - HB2   ASN   28  (0.14)  kept
 
    Peak 313 (4.10, 4.10, 58.69 ppm):
    1 diagonal assignment:
    *     HA    GLU-  36 - HA    GLU-  36  (1.00)  kept
 
    Peak 314 (2.15, 4.10, 58.69 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.57, residual support = 86.7:
    * O T QB    GLU-  36 - HA    GLU-  36   2.43 +/- 0.18  99.960% * 98.9106% (1.00  10.0 10.00   5.57  86.71) = 100.000%  kept
        T HB3   GLU-  29 - HA    GLU-  36  12.22 +/- 0.64   0.007% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  36  10.47 +/- 1.68   0.029% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  13.98 +/- 0.72   0.003% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  26.06 +/- 0.90   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  31.82 +/- 0.70   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 316 (2.46, 4.10, 58.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.7:
    * O T HG2   GLU-  36 - HA    GLU-  36   2.60 +/- 0.82  99.997% * 99.8378% (1.00  10.0 10.00   3.62  86.71) = 100.000%  kept
          HG3   MET   96 - HA    GLU-  36  19.51 +/- 0.80   0.002% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  22.36 +/- 1.26   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  27.95 +/- 0.84   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 317 (2.31, 4.10, 58.69 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.7:
    * O T HG3   GLU-  36 - HA    GLU-  36   3.41 +/- 0.11  99.981% * 99.2256% (1.00  10.0 10.00   3.62  86.71) = 100.000%  kept
        T QB    MET   11 - HA    GLU-  36  17.81 +/- 3.69   0.015% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  19.90 +/- 0.62   0.003% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  36  25.84 +/- 0.87   0.001% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  28.05 +/- 1.80   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  33.34 +/- 0.95   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  34.60 +/- 0.88   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 328 (4.10, 2.46, 36.40 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.7:
    * O T HA    GLU-  36 - HG2   GLU-  36   2.60 +/- 0.82  99.998% * 99.7630% (1.00  10.0 10.00   3.62  86.71) = 100.000%  kept
          HA    LYS+  81 - HG2   GLU-  36  27.44 +/- 1.44   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  24.77 +/- 2.28   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   GLU-  36  28.25 +/- 2.59   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  34.51 +/- 2.65   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 329 (2.15, 2.46, 36.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 86.7:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.51 +/- 0.06  99.966% * 98.9106% (1.00  10.0 10.00   4.28  86.71) = 100.000%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  11.17 +/- 0.97   0.015% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   GLU-  36  12.91 +/- 1.10   0.006% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  11.91 +/- 1.62   0.013% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  25.30 +/- 1.37   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  31.80 +/- 1.28   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (2.46, 2.46, 36.40 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  36 - HG2   GLU-  36  (1.00)  kept
 
    Peak 332 (2.31, 2.46, 36.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.7:
    * O T HG3   GLU-  36 - HG2   GLU-  36   1.75 +/- 0.00  99.999% * 99.2256% (1.00  10.0 10.00   3.00  86.71) = 100.000%  kept
        T QB    MET   11 - HG2   GLU-  36  16.83 +/- 3.53   0.000% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   GLU-  36  18.95 +/- 0.91   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  36  25.10 +/- 1.47   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  28.56 +/- 1.63   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  33.37 +/- 2.07   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  34.51 +/- 1.63   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 333 (4.10, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.7:
    * O T HA    GLU-  36 - HG3   GLU-  36   3.41 +/- 0.11  99.980% * 99.6097% (1.00  10.0 10.00   3.62  86.71) = 100.000%  kept
        T HA    GLU-  36 - QB    MET   11  17.81 +/- 3.69   0.015% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  27.44 +/- 0.81   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   GLU-  36  28.95 +/- 2.57   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  25.15 +/- 2.01   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  20.79 +/- 1.98   0.003% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  34.68 +/- 2.06   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  27.40 +/- 2.81   0.000% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  31.27 +/- 1.75   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  31.02 +/- 2.40   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (2.15, 2.31, 36.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 86.7:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.24 +/- 0.09  99.976% * 99.4418% (1.00  10.0  1.00   4.28  86.71) = 100.000%  kept
          HB3   GLU-  29 - HG3   GLU-  36  10.64 +/- 1.05   0.010% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   GLU-  36  12.36 +/- 1.00   0.004% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  12.89 +/- 1.60   0.004% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  14.60 +/- 3.30   0.005% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  18.47 +/- 2.80   0.001% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  25.08 +/- 1.01   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  26.67 +/- 1.98   0.000% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  20.12 +/- 2.47   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  32.00 +/- 0.87   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  35.28 +/- 1.77   0.000% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  22.21 +/- 2.75   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 336 (2.46, 2.31, 36.40 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.7:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00  99.999% * 99.6937% (1.00  10.0 10.00   3.00  86.71) = 100.000%  kept
        T HG2   GLU-  36 - QB    MET   11  16.83 +/- 3.53   0.000% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  36  20.70 +/- 0.80   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  22.67 +/- 1.20   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  28.42 +/- 1.65   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  27.50 +/- 2.10   0.000% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  25.03 +/- 1.53   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  30.61 +/- 2.21   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 337 (2.31, 2.31, 36.40 ppm):
    2 diagonal assignments:
    *     HG3   GLU-  36 - HG3   GLU-  36  (1.00)  kept
          QB    MET   11 - QB    MET   11  (0.05)  kept
 
    Peak 338 (4.42, 4.42, 58.68 ppm):
    3 diagonal assignments:
    *     HA    SER   37 - HA    SER   37  (1.00)  kept
          HA    THR   46 - HA    THR   46  (0.98)  kept
          HA    SER   13 - HA    SER   13  (0.30)  kept
 
    Peak 339 (4.03, 4.42, 58.68 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.56, residual support = 26.8:
    * O T HB2   SER   37 - HA    SER   37   2.78 +/- 0.13  98.992% * 98.0025% (1.00  10.0 10.00   2.56  26.81) = 100.000%  kept
        T HB2   SER   37 - HA    SER   13  12.26 +/- 2.64   0.041% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   37   6.17 +/- 0.20   0.880% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   13  10.86 +/- 0.83   0.032% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   37  11.49 +/- 0.79   0.022% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  13.65 +/- 1.85   0.011% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   37  16.52 +/- 1.65   0.003% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    THR   46  24.51 +/- 0.67   0.000% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  14.26 +/- 2.42   0.013% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    THR   46  16.09 +/- 1.14   0.003% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  18.16 +/- 0.84   0.001% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  18.49 +/- 0.51   0.001% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  24.08 +/- 0.45   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  28.18 +/- 1.67   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  27.97 +/- 1.58   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (3.88, 4.42, 58.68 ppm):
    18 chemical-shift based assignments, quality = 0.583, support = 2.24, residual support = 16.8:
      O T QB    SER   13 - HA    SER   13   2.44 +/- 0.15  71.528% * 28.4793% (0.35  10.0 10.00   1.93   7.27) =  51.460%  kept
    * O T HB3   SER   37 - HA    SER   37   2.88 +/- 0.20  27.922% * 68.8149% (0.84  10.0 10.00   2.56  26.81) =  48.539%  kept
          HB    THR   39 - HA    SER   37   5.87 +/- 0.58   0.456% *  0.0566% (0.69   1.0  1.00   0.02   2.99) =   0.001%
        T QB    SER   13 - HA    SER   37  12.43 +/- 3.01   0.012% *  0.5330% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  12.38 +/- 2.64   0.015% *  0.3677% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46   8.84 +/- 1.09   0.055% *  0.0682% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  12.85 +/- 2.38   0.008% *  0.0302% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  13.94 +/- 0.98   0.002% *  0.0815% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  22.71 +/- 1.08   0.000% *  0.5281% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  24.34 +/- 0.68   0.000% *  0.6818% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.86 +/- 0.33   0.001% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.44 +/- 0.73   0.000% *  0.0561% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  25.30 +/- 0.96   0.000% *  0.0822% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  27.68 +/- 0.50   0.000% *  0.0688% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  26.86 +/- 1.50   0.000% *  0.0439% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  26.73 +/- 1.71   0.000% *  0.0281% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  29.99 +/- 1.40   0.000% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  29.66 +/- 2.14   0.000% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.56, residual support = 26.8:
    * O T HA    SER   37 - HB2   SER   37   2.78 +/- 0.13  99.705% * 98.1694% (1.00  10.0 10.00   2.56  26.81) = 100.000%  kept
        T HA    SER   13 - HB2   SER   37  12.26 +/- 2.64   0.042% *  0.5558% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   SER   37   7.94 +/- 0.35   0.211% *  0.0368% (0.38   1.0  1.00   0.02   0.14) =   0.000%
          HA    GLU-  15 - HB2   SER   37  11.26 +/- 1.13   0.028% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   SER   37  12.88 +/- 0.50   0.011% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   SER   37  16.21 +/- 1.05   0.003% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB2   SER   37  24.51 +/- 0.67   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   SER   37  25.22 +/- 0.86   0.000% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 26.8:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  94.386% * 98.8953% (0.84  10.0 10.00   2.00  26.81) =  99.995%  kept
          HB    THR   39 - HB2   SER   37   3.38 +/- 0.82   5.610% *  0.0813% (0.69   1.0  1.00   0.02   2.99) =   0.005%
        T QB    SER   13 - HB2   SER   37  11.09 +/- 2.69   0.004% *  0.7659% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   37  23.00 +/- 0.93   0.000% *  0.1181% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  25.72 +/- 0.75   0.000% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  25.45 +/- 1.88   0.000% *  0.0404% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 344 (4.42, 3.88, 64.19 ppm):
    16 chemical-shift based assignments, quality = 0.586, support = 2.23, residual support = 16.5:
      O T HA    SER   13 - QB    SER   13   2.44 +/- 0.15  71.691% * 29.4827% (0.36  10.0 10.00   1.93   7.27) =  52.603%  kept
    * O T HA    SER   37 - HB3   SER   37   2.88 +/- 0.20  27.985% * 68.0513% (0.84  10.0 10.00   2.56  26.81) =  47.396%  kept
          HA    GLU-  15 - QB    SER   13   6.60 +/- 0.64   0.226% *  0.0295% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  12.43 +/- 3.01   0.012% *  0.5208% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  12.38 +/- 2.64   0.015% *  0.3853% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   8.56 +/- 0.43   0.043% *  0.0255% (0.31   1.0  1.00   0.02   0.14) =   0.000%
          HA    GLN   17 - QB    SER   13  10.70 +/- 1.08   0.013% *  0.0521% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  11.59 +/- 1.17   0.008% *  0.0385% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   SER   37  13.04 +/- 0.48   0.003% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  22.71 +/- 1.08   0.000% *  0.5161% (0.63   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  16.52 +/- 1.10   0.001% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  24.34 +/- 0.68   0.000% *  0.6745% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  15.43 +/- 2.03   0.002% *  0.0195% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  16.92 +/- 1.20   0.001% *  0.0316% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  20.43 +/- 1.80   0.000% *  0.0274% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  25.70 +/- 1.06   0.000% *  0.0358% (0.44   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 345 (4.03, 3.88, 64.19 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 26.8:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  99.636% * 98.1382% (0.84  10.0 10.00   2.00  26.81) = 100.000%  kept
          HA    LYS+  33 - HB3   SER   37   4.66 +/- 0.61   0.347% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - QB    SER   13  11.09 +/- 2.69   0.004% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   37   9.78 +/- 0.98   0.004% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - QB    SER   13  11.90 +/- 1.69   0.001% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QB    SER   13   9.27 +/- 0.92   0.006% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB3   SER   37  14.58 +/- 1.68   0.000% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    SER   13  13.32 +/- 2.26   0.001% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  24.52 +/- 1.33   0.000% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  26.50 +/- 1.73   0.000% *  0.0478% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.57, residual support = 218.2:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.87 +/- 0.17  98.917% * 99.6880% (1.00  10.0 10.00   6.57 218.18) =  99.999%  kept
        T HB2   LYS+  38 - HA    GLU- 100   6.78 +/- 1.17   1.011% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    LYS+  38  12.32 +/- 1.21   0.024% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    LYS+  38  16.21 +/- 0.53   0.003% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  14.38 +/- 0.53   0.007% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  17.27 +/- 1.29   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  12.14 +/- 1.19   0.025% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  20.18 +/- 0.39   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  17.50 +/- 1.17   0.002% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  15.99 +/- 1.20   0.004% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  29.10 +/- 0.60   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.44 +/- 1.25   0.002% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.70 +/- 0.99   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  26.51 +/- 0.94   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (1.88, 3.78, 58.04 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.88, residual support = 218.2:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.66 +/- 0.15  97.542% * 98.2125% (1.00  10.0 10.00   5.88 218.18) =  99.999%  kept
        T HB3   LYS+  38 - HA    GLU- 100   5.57 +/- 1.12   2.180% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    LYS+  38   7.89 +/- 0.34   0.153% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  38  11.76 +/- 0.91   0.016% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  38  16.35 +/- 1.28   0.002% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  10.26 +/- 1.06   0.043% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  16.77 +/- 0.60   0.002% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  14.77 +/- 0.86   0.004% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  12.40 +/- 1.54   0.016% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  16.69 +/- 0.89   0.002% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    LYS+  38  28.48 +/- 0.95   0.000% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.65 +/- 0.40   0.026% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  13.66 +/- 0.39   0.006% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  13.57 +/- 0.40   0.006% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  27.49 +/- 1.19   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  38  33.05 +/- 1.62   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  25.21 +/- 0.69   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  28.99 +/- 0.64   0.000% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  27.36 +/- 1.02   0.000% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  28.49 +/- 0.90   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  16.86 +/- 1.87   0.002% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  25.41 +/- 1.32   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  23.79 +/- 0.88   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  26.43 +/- 0.66   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  25.80 +/- 0.91   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  31.59 +/- 1.65   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.9, residual support = 218.2:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.62 +/- 0.57  93.456% * 98.4430% (1.00  10.0 10.00   6.90 218.18) =  99.993%  kept
        T HG2   LYS+  99 - HA    LYS+  38   7.28 +/- 0.99   0.303% *  0.9649% (0.98   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  99 - HA    GLU- 100   4.90 +/- 0.30   4.458% *  0.0583% (0.06   1.0 10.00   0.02  39.69) =   0.003%
        T HG2   LYS+  38 - HA    GLU- 100   5.99 +/- 1.49   1.148% *  0.0595% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    LYS+  38  10.03 +/- 0.33   0.053% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   8.16 +/- 1.08   0.499% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  38  11.35 +/- 0.99   0.020% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    GLU- 100   9.98 +/- 0.86   0.051% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  21.12 +/- 0.90   0.001% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  19.70 +/- 0.90   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  19.36 +/- 0.38   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  21.95 +/- 0.84   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  20.99 +/- 0.50   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  18.81 +/- 2.03   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  18.43 +/- 1.05   0.001% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  29.27 +/- 2.46   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  18.43 +/- 0.94   0.002% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  17.90 +/- 0.58   0.002% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  17.93 +/- 1.71   0.002% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  19.49 +/- 0.54   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  20.71 +/- 0.97   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  26.08 +/- 2.41   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 1 structures by 0.13 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 6.61, residual support = 216.5:
    * O T HG3   LYS+  38 - HA    LYS+  38   2.99 +/- 0.71  70.926% * 81.6069% (1.00  10.0 10.00   6.62 218.18) =  99.160%  kept
          QG2   THR   39 - HA    LYS+  38   5.65 +/- 0.46   2.723% * 17.6417% (0.90   1.0  1.00   4.82  22.80) =   0.823%  kept
          QB    ALA   34 - HA    LYS+  38   4.36 +/- 0.09  10.113% *  0.0653% (0.80   1.0  1.00   0.02   0.02) =   0.011%
        T HG3   LYS+  99 - HA    LYS+  38   7.88 +/- 1.05   0.336% *  0.3063% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  38 - HA    GLU- 100   5.90 +/- 1.47   1.817% *  0.0493% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  99 - HA    GLU- 100   5.40 +/- 0.58   3.886% *  0.0185% (0.02   1.0 10.00   0.02  39.69) =   0.001%
          QB    ALA   34 - HA    GLU- 100   4.98 +/- 0.89   9.361% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HA    LYS+  38   9.58 +/- 1.47   0.144% *  0.0252% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    GLU- 100   7.20 +/- 0.99   0.616% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  38  15.29 +/- 1.09   0.006% *  0.0462% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  10.90 +/- 1.09   0.060% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  18.44 +/- 0.69   0.002% *  0.0366% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  38  22.02 +/- 1.76   0.001% *  0.0772% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  24.25 +/- 1.00   0.000% *  0.0732% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  21.20 +/- 0.77   0.001% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  16.52 +/- 1.68   0.004% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  20.37 +/- 1.89   0.001% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  18.59 +/- 0.77   0.002% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  21.88 +/- 1.11   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  20.52 +/- 1.04   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.15 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 218.2:
    *   T QD    LYS+  38 - HA    LYS+  38   3.60 +/- 0.40  84.688% * 97.0123% (1.00 10.00   6.00 218.18) =  99.990%  kept
        T QD    LYS+  38 - HA    GLU- 100   5.24 +/- 1.26  14.080% *  0.0586% (0.06 10.00   0.02   0.02) =   0.010%
          QD    LYS+ 102 - HA    LYS+  38  11.59 +/- 1.73   0.119% *  0.0777% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    GLU- 100   7.92 +/- 0.78   1.075% *  0.0047% (0.05  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    LYS+  38  21.28 +/- 1.02   0.003% *  0.9362% (0.97 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+  38  21.06 +/- 0.92   0.003% *  0.8955% (0.92 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    LYS+  38  21.10 +/- 0.88   0.003% *  0.3309% (0.34 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  38  19.96 +/- 1.66   0.004% *  0.0870% (0.90  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    GLU- 100  19.75 +/- 1.17   0.004% *  0.0566% (0.06 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  21.29 +/- 0.88   0.002% *  0.0541% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+  38  22.90 +/- 2.26   0.002% *  0.0549% (0.57  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  38  30.64 +/- 1.96   0.000% *  0.2994% (0.31 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  20.52 +/- 1.01   0.003% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  17.28 +/- 1.42   0.010% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  27.64 +/- 0.62   0.000% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  28.03 +/- 0.48   0.000% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  27.47 +/- 1.84   0.001% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  21.11 +/- 1.91   0.003% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  25.33 +/- 0.43   0.001% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  25.53 +/- 0.64   0.001% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.18 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.57, residual support = 218.2:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.87 +/- 0.17  98.987% * 99.6785% (1.00  10.0 10.00   6.57 218.18) =  99.998%  kept
        T HA    GLU- 100 - HB2   LYS+  38   6.78 +/- 1.17   1.012% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   24 - HB2   LYS+  38  20.75 +/- 0.49   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  24.31 +/- 1.24   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  30.68 +/- 1.11   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.31, residual support = 218.2:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  99.993% * 98.9214% (1.00  10.0 10.00   5.31 218.18) = 100.000%  kept
          QB    LYS+  33 - HB2   LYS+  38   8.98 +/- 0.40   0.006% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  13.95 +/- 0.89   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  18.91 +/- 0.57   0.000% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  16.47 +/- 1.36   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  17.15 +/- 0.80   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  18.50 +/- 0.90   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  31.20 +/- 0.84   0.000% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  29.46 +/- 1.15   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  27.59 +/- 0.69   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  29.88 +/- 1.03   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  31.47 +/- 0.58   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  35.03 +/- 1.69   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 218.2:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.66 +/- 0.20  99.851% * 98.5858% (1.00  10.0 10.00   5.95 218.18) =  99.999%  kept
        T HG2   LYS+  99 - HB2   LYS+  38   8.56 +/- 0.99   0.130% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HB2   LYS+  38  12.56 +/- 0.36   0.010% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  13.92 +/- 0.94   0.006% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  38  18.82 +/- 2.20   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  21.22 +/- 0.98   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  23.43 +/- 0.86   0.000% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  21.53 +/- 0.40   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  23.12 +/- 0.46   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  24.55 +/- 0.80   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  31.42 +/- 2.50   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.65, residual support = 218.2:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.66 +/- 0.39  98.408% * 99.1122% (1.00  10.0 10.00   5.65 218.18) =  99.998%  kept
          QG2   THR   39 - HB2   LYS+  38   6.18 +/- 0.41   0.857% *  0.0889% (0.90   1.0  1.00   0.02  22.80) =   0.001%
          QB    ALA   34 - HB2   LYS+  38   6.50 +/- 0.13   0.601% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB2   LYS+  38   9.07 +/- 1.09   0.099% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  38  10.96 +/- 1.42   0.032% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  38  16.58 +/- 1.03   0.002% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  20.28 +/- 0.71   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  38  23.69 +/- 1.69   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  26.42 +/- 1.03   0.000% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  23.29 +/- 0.80   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (3.78, 1.88, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.88, residual support = 218.2:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.66 +/- 0.15  97.813% * 99.5407% (1.00  10.0 10.00   5.88 218.18) =  99.995%  kept
        T HA    GLU- 100 - HB3   LYS+  38   5.57 +/- 1.12   2.186% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.005%
          HA    VAL   24 - HB3   LYS+  38  20.70 +/- 0.58   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   LYS+  38  29.81 +/- 1.14   0.000% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  23.89 +/- 1.21   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 218.2:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  99.999% * 99.2933% (1.00  10.0 10.00   5.31 218.18) = 100.000%  kept
          HB    VAL   70 - HB3   LYS+  38  12.54 +/- 1.36   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  18.70 +/- 0.56   0.000% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  16.81 +/- 0.60   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  18.00 +/- 1.29   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  31.01 +/- 0.57   0.000% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  22.70 +/- 0.43   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.63, residual support = 218.2:
    * O T HG2   LYS+  38 - HB3   LYS+  38   2.98 +/- 0.07  99.131% * 98.5858% (1.00  10.0 10.00   5.63 218.18) =  99.992%  kept
        T HG2   LYS+  99 - HB3   LYS+  38   6.93 +/- 0.98   0.826% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.008%
          HB2   LEU   31 - HB3   LYS+  38  12.62 +/- 0.40   0.017% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+  38  12.79 +/- 0.93   0.018% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  38  17.79 +/- 2.18   0.003% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  20.28 +/- 0.98   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  22.62 +/- 0.89   0.001% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  20.79 +/- 0.38   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  22.63 +/- 0.45   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  24.26 +/- 0.78   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  30.07 +/- 2.53   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 218.2:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.71 +/- 0.16  98.110% * 98.2829% (1.00  10.0 10.00   5.40 218.18) =  99.997%  kept
        T HG3   LYS+  99 - HB3   LYS+  38   7.42 +/- 1.08   0.336% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HB3   LYS+  38   6.03 +/- 0.32   0.886% *  0.0881% (0.90   1.0  1.00   0.02  22.80) =   0.001%
          QB    ALA   34 - HB3   LYS+  38   6.35 +/- 0.13   0.634% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HB3   LYS+  38  10.80 +/- 1.10   0.030% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HB3   LYS+  38  22.88 +/- 1.67   0.000% *  0.9297% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   LYS+  38  16.68 +/- 1.07   0.002% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  20.47 +/- 0.67   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  25.60 +/- 1.08   0.000% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  22.89 +/- 0.84   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 364 (1.67, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 218.2:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.18 +/- 0.16  99.994% * 98.0597% (1.00  10.0 10.00   4.63 218.18) = 100.000%  kept
          QD    LYS+ 102 - HB3   LYS+  38  12.10 +/- 1.88   0.005% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+  38  21.29 +/- 0.95   0.000% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB3   LYS+  38  22.70 +/- 0.97   0.000% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB3   LYS+  38  19.83 +/- 1.79   0.000% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  22.29 +/- 2.39   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  23.63 +/- 1.06   0.000% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  31.35 +/- 2.07   0.000% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  28.87 +/- 0.73   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  29.47 +/- 0.57   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.9, residual support = 218.2:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.62 +/- 0.57  94.040% * 99.3217% (1.00  10.0 10.00   6.90 218.18) =  99.993%  kept
        T HA    GLU- 100 - HG2   LYS+  99   4.90 +/- 0.30   4.500% *  0.0603% (0.06   1.0 10.00   0.02  39.69) =   0.003%
        T HA    GLU- 100 - HG2   LYS+  38   5.99 +/- 1.49   1.152% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  38 - HG2   LYS+  99   7.28 +/- 0.99   0.304% *  0.2707% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HG2   LYS+  38  20.13 +/- 0.60   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  19.86 +/- 0.91   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  23.35 +/- 1.29   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  21.68 +/- 1.23   0.001% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  30.91 +/- 1.39   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  25.19 +/- 1.34   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.03 A, kept.
 
    Peak 366 (2.18, 1.32, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 218.2:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.66 +/- 0.20  99.782% * 99.4277% (1.00  10.0 10.00   5.95 218.18) = 100.000%  kept
        T HB2   LYS+  38 - HG2   LYS+  99   8.56 +/- 0.99   0.130% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  99   9.64 +/- 1.18   0.070% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  13.99 +/- 1.63   0.009% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  38  17.50 +/- 0.86   0.001% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  15.70 +/- 0.72   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  18.63 +/- 1.67   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  21.75 +/- 0.51   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  20.69 +/- 1.10   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  17.48 +/- 1.17   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  19.04 +/- 1.08   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  31.10 +/- 0.84   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  23.44 +/- 0.85   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  26.86 +/- 0.85   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 367 (1.88, 1.32, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 218.2:
    * O T HB3   LYS+  38 - HG2   LYS+  38   2.98 +/- 0.07  98.839% * 98.9095% (1.00  10.0 10.00   5.63 218.18) =  99.998%  kept
        T HB3   LYS+  38 - HG2   LYS+  99   6.93 +/- 0.98   0.824% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HG2   LYS+  38   9.00 +/- 0.28   0.135% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  38  13.65 +/- 0.91   0.012% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  10.51 +/- 0.51   0.054% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.51 +/- 0.44   0.053% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  12.55 +/- 0.38   0.018% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  99  14.55 +/- 1.50   0.009% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   LYS+  99  12.56 +/- 0.79   0.019% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  13.42 +/- 2.06   0.023% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  18.44 +/- 0.91   0.002% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  16.32 +/- 1.37   0.004% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  38  17.41 +/- 1.88   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  18.37 +/- 1.12   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  23.21 +/- 1.36   0.000% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  29.44 +/- 1.40   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  26.93 +/- 0.79   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  30.98 +/- 0.82   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  30.28 +/- 1.37   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  24.53 +/- 1.15   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  25.54 +/- 0.79   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  25.13 +/- 0.78   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  30.49 +/- 1.12   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  26.09 +/- 0.67   0.000% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  35.06 +/- 1.71   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  29.95 +/- 1.84   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.917, support = 6.45, residual support = 213.9:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  49.954% * 89.3422% (1.00  10.0 10.00   6.44 218.18) =  90.721%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  49.954% *  9.1383% (0.10  10.0 10.00   6.60 171.88) =   9.279%  kept
          QB    ALA   34 - HG2   LYS+  38   6.20 +/- 0.32   0.027% *  0.0715% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HG2   LYS+  99   8.32 +/- 1.10   0.007% *  0.2435% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  38   6.94 +/- 0.85   0.020% *  0.0801% (0.90   1.0  1.00   0.02  22.80) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+  38   9.13 +/- 1.24   0.003% *  0.3353% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  99   6.87 +/- 0.92   0.019% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG2   LYS+  99   7.22 +/- 0.72   0.012% *  0.0195% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  11.39 +/- 1.81   0.001% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  10.71 +/- 1.20   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  17.04 +/- 1.31   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  38  23.26 +/- 0.91   0.000% *  0.3048% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  20.21 +/- 1.26   0.000% *  0.0831% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  16.50 +/- 1.85   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  19.90 +/- 0.70   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  18.71 +/- 1.77   0.000% *  0.0230% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  23.67 +/- 1.75   0.000% *  0.0845% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  25.92 +/- 0.98   0.000% *  0.0801% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  21.49 +/- 1.21   0.000% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  20.41 +/- 0.70   0.000% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (1.67, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 218.2:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.45 +/- 0.16  99.556% * 96.4250% (1.00  10.0 10.00   5.75 218.18) =  99.999%  kept
        T QD    LYS+  38 - HG2   LYS+  99   6.78 +/- 1.18   0.338% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG2   LYS+  99   8.80 +/- 1.51   0.086% *  0.2104% (0.22   1.0 10.00   0.02   1.48) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  38  12.42 +/- 2.22   0.011% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  38  22.41 +/- 1.62   0.000% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  99  18.95 +/- 0.88   0.001% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  13.46 +/- 1.70   0.005% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  38  23.13 +/- 1.05   0.000% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  99  20.06 +/- 1.29   0.000% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  38  21.47 +/- 1.65   0.000% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  16.79 +/- 1.99   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  23.19 +/- 1.06   0.000% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  25.08 +/- 2.01   0.000% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  24.20 +/- 2.14   0.000% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  21.55 +/- 1.21   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  32.47 +/- 2.08   0.000% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  23.75 +/- 0.72   0.000% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  29.67 +/- 0.91   0.000% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  30.04 +/- 0.73   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  24.48 +/- 0.87   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (3.78, 1.26, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 218.2:
    * O T HA    LYS+  38 - HG3   LYS+  38   2.99 +/- 0.71  90.199% * 99.5416% (1.00  10.0 10.00   6.62 218.18) =  99.992%  kept
        T HA    GLU- 100 - HG3   LYS+  38   5.90 +/- 1.47   2.429% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.006%
        T HA    GLU- 100 - HG3   LYS+  99   5.40 +/- 0.58   6.797% *  0.0231% (0.02   1.0 10.00   0.02  39.69) =   0.002%
        T HA    LYS+  38 - HG3   LYS+  99   7.88 +/- 1.05   0.570% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HG3   LYS+  38  20.77 +/- 0.74   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  20.35 +/- 1.26   0.002% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  23.85 +/- 1.73   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  22.08 +/- 1.35   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  31.08 +/- 1.20   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  25.13 +/- 1.36   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.11 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.65, residual support = 218.2:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.66 +/- 0.39  99.805% * 99.6340% (1.00  10.0 10.00   5.65 218.18) = 100.000%  kept
        T HB2   LYS+  38 - HG3   LYS+  99   9.07 +/- 1.09   0.101% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99   9.80 +/- 1.03   0.077% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  14.07 +/- 1.32   0.007% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  38  18.32 +/- 0.82   0.001% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  16.50 +/- 0.71   0.003% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  18.99 +/- 1.69   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  22.52 +/- 0.73   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  17.70 +/- 1.25   0.002% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  21.31 +/- 1.14   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  31.42 +/- 1.39   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  19.68 +/- 1.13   0.001% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  24.01 +/- 1.16   0.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  27.04 +/- 1.04   0.000% *  0.0055% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 218.2:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.71 +/- 0.16  99.466% * 98.2474% (1.00  10.0 10.00   5.40 218.18) = 100.000%  kept
        T HB3   LYS+  38 - HG3   LYS+  99   7.42 +/- 1.08   0.342% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  38   9.68 +/- 0.38   0.050% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  38  14.31 +/- 1.02   0.005% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.22 +/- 0.78   0.044% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99  10.51 +/- 0.47   0.033% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.49 +/- 0.57   0.012% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  13.32 +/- 2.37   0.027% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  18.47 +/- 0.98   0.001% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  38  29.59 +/- 1.37   0.000% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  16.24 +/- 1.54   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  38  17.36 +/- 1.65   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  99  15.13 +/- 1.43   0.004% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  13.12 +/- 0.90   0.009% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  18.23 +/- 1.09   0.001% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  23.13 +/- 1.31   0.000% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  27.41 +/- 1.15   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  31.25 +/- 1.09   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  30.40 +/- 1.03   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  30.79 +/- 1.42   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  24.43 +/- 1.27   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  25.54 +/- 0.81   0.000% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  25.46 +/- 0.97   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  26.25 +/- 0.91   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  35.34 +/- 1.65   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  30.01 +/- 1.51   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 374 (1.32, 1.26, 25.69 ppm):
    22 chemical-shift based assignments, quality = 0.917, support = 6.45, residual support = 213.9:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.991% * 89.3736% (1.00  10.0 10.00   6.44 218.18) =  90.721%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.991% *  9.1415% (0.10  10.0 10.00   6.60 171.88) =   9.279%  kept
        T HG2   LYS+  99 - HG3   LYS+  38   8.32 +/- 1.10   0.007% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   9.13 +/- 1.24   0.003% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.34 +/- 0.88   0.000% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.67 +/- 0.85   0.006% *  0.0014% (0.02   1.0  1.00   0.02  16.57) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.44 +/- 1.61   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  14.04 +/- 1.10   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  22.85 +/- 1.62   0.000% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.63 +/- 2.49   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  19.27 +/- 2.01   0.000% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  13.74 +/- 1.80   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  21.67 +/- 1.16   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  15.75 +/- 1.03   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.76 +/- 0.97   0.000% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  23.06 +/- 0.96   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  24.47 +/- 1.32   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  19.07 +/- 0.97   0.000% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.02 +/- 1.02   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  31.10 +/- 2.56   0.000% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.92 +/- 0.75   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.65 +/- 1.14   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (1.26, 1.26, 25.69 ppm):
    2 diagonal assignments:
    *     HG3   LYS+  38 - HG3   LYS+  38  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.04)  kept
 
    Peak 376 (1.67, 1.26, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.42, residual support = 218.2:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.31 +/- 0.15  99.649% * 97.6899% (1.00  10.0 10.00   5.42 218.18) = 100.000%  kept
        T QD    LYS+  38 - HG3   LYS+  99   7.12 +/- 1.28   0.259% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  99   8.89 +/- 1.26   0.072% *  0.0816% (0.08   1.0 10.00   0.02   1.48) =   0.000%
          QD    LYS+ 102 - HG3   LYS+  38  12.18 +/- 2.10   0.010% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  38  22.55 +/- 1.37   0.000% *  0.9018% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  13.00 +/- 1.84   0.007% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  18.98 +/- 1.06   0.000% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  38  23.54 +/- 1.21   0.000% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  21.24 +/- 1.73   0.000% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  16.36 +/- 2.13   0.002% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  23.72 +/- 1.40   0.000% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  20.32 +/- 1.16   0.000% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  23.92 +/- 2.08   0.000% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  32.44 +/- 1.99   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  24.82 +/- 2.01   0.000% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  21.95 +/- 1.34   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  29.87 +/- 0.81   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  23.73 +/- 0.71   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  30.29 +/- 0.93   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  24.47 +/- 0.92   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 218.1:
    *   T HA    LYS+  38 - QD    LYS+  38   3.60 +/- 0.40  85.437% * 98.6212% (1.00 10.00   6.00 218.18) =  99.963%  kept
        T HA    GLU- 100 - QD    LYS+  38   5.24 +/- 1.26  14.185% *  0.2196% (0.22 10.00   0.02   0.02) =   0.037%
        T HD2   PRO   58 - QD    LYS+  65  10.98 +/- 0.80   0.147% *  0.0278% (0.03 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   LYS+  74  12.48 +/- 0.95   0.061% *  0.0334% (0.03 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+  74  11.87 +/- 0.87   0.091% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - HD2   LYS+  74  15.39 +/- 1.23   0.021% *  0.0428% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+  74  21.10 +/- 0.88   0.003% *  0.2163% (0.22 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - QD    LYS+  65  21.06 +/- 0.92   0.003% *  0.1802% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  38  22.01 +/- 1.18   0.002% *  0.1952% (0.20 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  38  19.53 +/- 0.75   0.004% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+  74  20.52 +/- 1.01   0.003% *  0.0481% (0.05 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  21.29 +/- 0.88   0.002% *  0.0401% (0.04 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - QD    LYS+  38  27.92 +/- 1.32   0.000% *  0.1522% (0.15 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  14.23 +/- 1.63   0.035% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  65  24.60 +/- 0.98   0.001% *  0.0357% (0.04 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  21.10 +/- 1.39   0.003% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  30.64 +/- 1.96   0.000% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  27.47 +/- 1.84   0.001% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  26.23 +/- 1.66   0.001% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  23.74 +/- 1.54   0.001% *  0.0015% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.74 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 = 4.94, residual support = 218.2:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.81 +/- 0.35  84.508% * 99.6020% (1.00  10.0   4.94 218.18) =  99.999%  kept
          QG    GLN   17 - QD    LYS+  65   6.58 +/- 2.38  15.313% *  0.0045% (0.05   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HD2   LYS+  74   9.61 +/- 1.29   0.096% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  38  12.70 +/- 1.43   0.019% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  38  17.67 +/- 0.68   0.002% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65  10.84 +/- 1.07   0.030% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  38  16.08 +/- 0.62   0.003% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - QD    LYS+  38  17.57 +/- 1.25   0.002% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  13.43 +/- 1.49   0.010% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  16.06 +/- 2.10   0.003% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  17.44 +/- 0.87   0.002% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  15.52 +/- 0.83   0.003% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  21.31 +/- 0.50   0.001% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  16.78 +/- 0.49   0.002% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  16.94 +/- 2.62   0.004% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  21.71 +/- 1.02   0.000% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  23.09 +/- 0.95   0.000% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  28.50 +/- 0.88   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  23.64 +/- 1.86   0.000% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  22.27 +/- 1.73   0.000% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  24.37 +/- 1.25   0.000% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  23.66 +/- 1.69   0.000% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  22.77 +/- 2.29   0.000% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  24.40 +/- 0.97   0.000% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  32.72 +/- 2.01   0.000% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  33.54 +/- 1.53   0.000% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  31.84 +/- 1.56   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  33.04 +/- 1.34   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 218.2:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.18 +/- 0.16  99.850% * 98.4611% (1.00  10.0 10.00   4.63 218.18) = 100.000%  kept
          QB    LYS+  33 - QD    LYS+  38   9.86 +/- 0.27   0.013% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  65   8.71 +/- 0.92   0.035% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HD2   LYS+ 111  11.32 +/- 1.60   0.009% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  38  13.90 +/- 0.99   0.002% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  10.03 +/- 1.68   0.017% *  0.0072% (0.07   1.0  1.00   0.02   2.22) =   0.000%
          HG3   PRO   68 - QD    LYS+  65   9.34 +/- 1.48   0.027% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   LYS+  74  15.30 +/- 0.70   0.001% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  12.55 +/- 1.23   0.004% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  12.35 +/- 0.45   0.003% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  10.97 +/- 2.09   0.011% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  14.25 +/- 1.57   0.002% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  14.23 +/- 1.36   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  16.39 +/- 1.02   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  13.91 +/- 1.25   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  13.64 +/- 0.87   0.002% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  13.77 +/- 1.02   0.002% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QD    LYS+  65  21.29 +/- 0.95   0.000% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  15.86 +/- 1.22   0.001% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  14.17 +/- 1.39   0.002% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  15.36 +/- 1.54   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+  74  22.70 +/- 0.97   0.000% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  13.63 +/- 1.80   0.002% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  16.01 +/- 1.75   0.001% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  16.16 +/- 2.99   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  18.16 +/- 1.48   0.000% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  16.99 +/- 0.58   0.001% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  15.89 +/- 1.71   0.001% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  16.71 +/- 1.32   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  15.94 +/- 1.71   0.001% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  16.59 +/- 1.31   0.001% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  17.46 +/- 1.39   0.000% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  14.83 +/- 1.79   0.001% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  26.51 +/- 1.42   0.000% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  20.40 +/- 1.21   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  25.16 +/- 0.80   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  17.40 +/- 1.60   0.001% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  28.12 +/- 1.00   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  27.23 +/- 1.24   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  16.18 +/- 1.73   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  19.36 +/- 0.94   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  27.90 +/- 1.09   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  31.35 +/- 2.07   0.000% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  23.03 +/- 1.31   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  19.20 +/- 2.01   0.000% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  24.12 +/- 0.90   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  21.80 +/- 1.48   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  22.31 +/- 0.77   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  31.91 +/- 1.65   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  27.55 +/- 1.30   0.000% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  24.96 +/- 3.20   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  28.66 +/- 1.32   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.978, support = 5.76, residual support = 220.4:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.45 +/- 0.16  69.512% * 91.2181% (1.00  10.0 10.00   5.75 218.18) =  97.676%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.88 +/- 0.22  27.400% *  5.4974% (0.06  10.0 10.00   6.21 315.72) =   2.320%  kept
        T HG2   LYS+  99 - QD    LYS+  38   6.78 +/- 1.18   0.241% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HD2   LYS+  74   5.37 +/- 1.18   2.609% *  0.0068% (0.07   1.0  1.00   0.02   3.76) =   0.000%
          QG2   THR   77 - HD2   LYS+  74   7.86 +/- 1.14   0.117% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.42 +/- 0.48   0.050% *  0.0075% (0.08   1.0  1.00   0.02   1.46) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.07 +/- 0.78   0.005% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74  10.00 +/- 1.36   0.022% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  11.14 +/- 1.49   0.011% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.14 +/- 1.12   0.005% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.95 +/- 0.88   0.000% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  19.40 +/- 1.19   0.000% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+  74  20.06 +/- 1.29   0.000% *  0.1961% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.72 +/- 1.22   0.000% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.55 +/- 2.43   0.000% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.53 +/- 1.70   0.007% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  22.41 +/- 1.62   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.55 +/- 0.70   0.004% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  15.26 +/- 1.06   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+  74  23.13 +/- 1.05   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  16.53 +/- 1.82   0.001% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  20.60 +/- 1.04   0.000% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  13.92 +/- 1.51   0.003% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  19.45 +/- 1.22   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  16.60 +/- 0.75   0.001% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.84 +/- 0.59   0.000% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  21.09 +/- 0.59   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.19 +/- 0.79   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  22.68 +/- 0.89   0.000% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.88 +/- 1.21   0.002% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  14.93 +/- 1.38   0.002% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.08 +/- 2.01   0.000% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.08 +/- 1.33   0.001% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  21.32 +/- 0.74   0.000% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.35 +/- 1.42   0.001% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.91 +/- 1.41   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.44 +/- 1.44   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  20.36 +/- 1.64   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.61 +/- 0.93   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  32.47 +/- 2.08   0.000% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.34 +/- 1.10   0.000% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  23.34 +/- 1.53   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.37 +/- 1.78   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.66 +/- 1.77   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (1.26, 1.67, 29.90 ppm):
    40 chemical-shift based assignments, quality = 0.98, support = 5.42, residual support = 217.5:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.31 +/- 0.15  77.077% * 91.1914% (1.00  10.0 10.00   5.42 218.18) =  97.886%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.87 +/- 0.19  22.239% *  6.8213% (0.07  10.0 10.00   5.54 186.82) =   2.113%  kept
        T HG3   LYS+  99 - QD    LYS+  38   7.12 +/- 1.28   0.195% *  0.3423% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - QD    LYS+  38   6.74 +/- 0.42   0.162% *  0.0730% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  38   6.83 +/- 0.47   0.136% *  0.0818% (0.90   1.0  1.00   0.02  22.80) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   9.18 +/- 1.76   0.034% *  0.0189% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74   9.29 +/- 1.02   0.025% *  0.0113% (0.12   1.0  1.00   0.02   8.69) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  10.32 +/- 2.41   0.046% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.95 +/- 1.79   0.004% *  0.0568% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.24 +/- 1.10   0.008% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111   9.29 +/- 1.18   0.028% *  0.0065% (0.07   1.0  1.00   0.02   2.22) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  11.11 +/- 0.82   0.007% *  0.0158% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.56 +/- 1.69   0.010% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  11.02 +/- 1.02   0.010% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  12.84 +/- 0.90   0.003% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  13.22 +/- 1.06   0.002% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.86 +/- 0.94   0.000% *  0.3111% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.56 +/- 1.10   0.001% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.80 +/- 1.00   0.002% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  13.60 +/- 0.61   0.002% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.98 +/- 1.06   0.000% *  0.0625% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  65  22.55 +/- 1.37   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  13.23 +/- 0.83   0.002% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.81 +/- 1.49   0.003% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  23.54 +/- 1.21   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  20.32 +/- 1.16   0.000% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  21.39 +/- 1.60   0.000% *  0.0863% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  15.70 +/- 0.91   0.001% *  0.0133% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  19.25 +/- 0.60   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  23.53 +/- 0.88   0.000% *  0.0818% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.21 +/- 0.96   0.000% *  0.0234% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  18.85 +/- 1.22   0.000% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  18.62 +/- 1.55   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.82 +/- 2.01   0.000% *  0.0258% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  32.44 +/- 1.99   0.000% *  0.0686% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  23.42 +/- 1.41   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  23.17 +/- 1.43   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  24.86 +/- 1.34   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.15 +/- 2.83   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  26.85 +/- 1.07   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 382 (1.67, 1.67, 29.90 ppm):
    4 diagonal assignments:
    *     QD    LYS+  38 - QD    LYS+  38  (1.00)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.17)  kept
          HD2   LYS+  74 - HD2   LYS+  74  (0.07)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 383 (4.27, 4.27, 62.55 ppm):
    2 diagonal assignments:
    *     HA    THR   39 - HA    THR   39  (1.00)  kept
          HA    ILE  103 - HA    ILE  103  (0.24)  kept
 
    Peak 384 (3.86, 4.27, 62.55 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.1:
    * O T HB    THR   39 - HA    THR   39   2.96 +/- 0.16  97.155% * 98.6574% (1.00  10.0 10.00   3.00  38.08) =  99.997%  kept
          HB3   SER   37 - HA    THR   39   5.48 +/- 0.40   2.735% *  0.0952% (0.97   1.0  1.00   0.02   2.99) =   0.003%
        T HB    THR   39 - HA    ILE  103  13.20 +/- 0.53   0.014% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR   39  12.84 +/- 2.39   0.027% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   39  11.36 +/- 0.76   0.033% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  12.62 +/- 1.13   0.018% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  14.95 +/- 0.86   0.007% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  16.15 +/- 0.65   0.004% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  19.38 +/- 1.07   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  23.67 +/- 0.50   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  24.53 +/- 0.72   0.000% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  19.99 +/- 1.28   0.001% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  16.24 +/- 0.92   0.004% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    THR   39  30.95 +/- 0.60   0.000% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  25.22 +/- 1.48   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  22.07 +/- 1.73   0.001% *  0.0325% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.1:
    * O T QG2   THR   39 - HA    THR   39   2.33 +/- 0.38  96.829% * 97.0314% (0.87  10.0 10.00   3.00  38.08) =  99.997%  kept
          QB    ALA   34 - HA    THR   39   4.94 +/- 0.26   1.639% *  0.0934% (0.84   1.0  1.00   0.02   8.06) =   0.002%
          HG3   LYS+  38 - HA    THR   39   6.30 +/- 0.81   0.657% *  0.1116% (1.00   1.0  1.00   0.02  22.80) =   0.001%
          HG3   LYS+  99 - HA    THR   39   6.81 +/- 1.06   0.403% *  0.0382% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    THR   39   6.83 +/- 1.21   0.293% *  0.0311% (0.28   1.0  1.00   0.02   0.22) =   0.000%
        T QG2   THR   39 - HA    ILE  103  11.22 +/- 0.55   0.016% *  0.3206% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE  103   8.04 +/- 0.34   0.097% *  0.0126% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE  103   9.31 +/- 0.52   0.039% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    ILE  103  15.78 +/- 1.29   0.001% *  0.3206% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    THR   39  12.49 +/- 1.07   0.007% *  0.0589% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    THR   39  18.43 +/- 0.50   0.001% *  0.5445% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  14.29 +/- 1.36   0.004% *  0.0369% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   39  23.27 +/- 1.15   0.000% *  0.9703% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ILE  103  18.35 +/- 0.74   0.001% *  0.1799% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  15.30 +/- 1.46   0.002% *  0.0357% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  13.54 +/- 1.12   0.006% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   39  19.63 +/- 1.63   0.000% *  0.1080% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  18.90 +/- 0.91   0.001% *  0.0345% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  17.87 +/- 1.29   0.001% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  17.56 +/- 0.78   0.001% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.1:
    * O T HA    THR   39 - HB    THR   39   2.96 +/- 0.16  99.974% * 98.7925% (1.00  10.0 10.00   3.00  38.08) = 100.000%  kept
        T HA    ILE  103 - HB    THR   39  13.20 +/- 0.53   0.014% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    THR   39  15.28 +/- 0.72   0.006% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  17.88 +/- 2.92   0.004% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  22.20 +/- 1.48   0.001% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  24.53 +/- 0.57   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  24.37 +/- 0.90   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  24.62 +/- 0.84   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  30.98 +/- 0.98   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (3.86, 3.86, 70.88 ppm):
    1 diagonal assignment:
    *     HB    THR   39 - HB    THR   39  (1.00)  kept
 
    Peak 388 (1.26, 3.86, 70.88 ppm):
    10 chemical-shift based assignments, quality = 0.866, support = 2.98, residual support = 36.5:
    * O T QG2   THR   39 - HB    THR   39   2.15 +/- 0.01  91.563% * 50.3520% (0.87  10.0 10.00   2.99  38.08) =  94.574%  kept
        T QB    ALA   34 - HB    THR   39   3.64 +/- 0.50   5.454% * 48.4853% (0.84   1.0 10.00   2.74   8.06) =   5.425%  kept
          HG    LEU   71 - HB    THR   39   4.90 +/- 2.08   2.884% *  0.0161% (0.28   1.0  1.00   0.02   0.22) =   0.001%
        T HG3   LYS+  99 - HB    THR   39   8.98 +/- 1.04   0.023% *  0.1980% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    THR   39   7.65 +/- 0.77   0.063% *  0.0579% (1.00   1.0  1.00   0.02  22.80) =   0.000%
          HG13  ILE   19 - HB    THR   39  10.19 +/- 1.13   0.011% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   39  16.27 +/- 0.58   0.001% *  0.2825% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HB    THR   39  22.54 +/- 1.28   0.000% *  0.5035% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    THR   39  19.08 +/- 1.79   0.000% *  0.0560% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  17.06 +/- 0.96   0.000% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 389 (4.27, 1.26, 21.81 ppm):
    27 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.1:
    * O T HA    THR   39 - QG2   THR   39   2.33 +/- 0.38  98.726% * 96.3159% (0.87  10.0 10.00   3.00  38.08) =  99.999%  kept
          HA    GLU-  79 - QG2   THR   23   6.34 +/- 0.88   0.763% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   39  11.22 +/- 0.55   0.017% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   91   7.35 +/- 0.83   0.244% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   77 - QG2   THR   23  10.97 +/- 0.96   0.016% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   91   8.10 +/- 1.29   0.119% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA   91   9.18 +/- 1.09   0.056% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    ALA   91  15.78 +/- 1.29   0.001% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   91  10.30 +/- 0.92   0.020% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QG2   THR   23  18.43 +/- 0.50   0.001% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   39  12.67 +/- 0.54   0.007% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    ALA   91  12.12 +/- 1.17   0.008% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   23  18.35 +/- 0.74   0.001% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   91  13.51 +/- 0.88   0.005% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  12.81 +/- 0.50   0.006% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  14.61 +/- 2.35   0.003% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  13.32 +/- 0.58   0.004% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    ALA   91  23.27 +/- 1.15   0.000% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   39  17.91 +/- 1.03   0.001% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   39  21.02 +/- 1.08   0.000% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  17.77 +/- 1.20   0.001% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  19.63 +/- 1.39   0.000% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  20.63 +/- 0.69   0.000% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  21.14 +/- 0.95   0.000% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  25.57 +/- 0.65   0.000% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   23  21.52 +/- 2.13   0.000% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  32.71 +/- 1.77   0.000% *  0.0221% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 2.99, residual support = 38.1:
    * O T HB    THR   39 - QG2   THR   39   2.15 +/- 0.01  96.019% * 97.9974% (0.87  10.0 10.00   2.99  38.08) =  99.997%  kept
          HB3   SER   37 - QG2   THR   39   4.30 +/- 0.59   2.313% *  0.0946% (0.84   1.0  1.00   0.02   2.99) =   0.002%
          HA    ILE   89 - QB    ALA   91   4.65 +/- 0.65   1.405% *  0.0447% (0.40   1.0  1.00   0.02   7.77) =   0.001%
          QB    SER   13 - QG2   THR   39   8.99 +/- 1.88   0.038% *  0.0978% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   23   8.36 +/- 1.11   0.042% *  0.0459% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   39   8.30 +/- 1.30   0.065% *  0.0244% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   91   7.36 +/- 1.15   0.095% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QG2   THR   23  16.27 +/- 0.58   0.001% *  0.5499% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23   9.81 +/- 0.75   0.012% *  0.0137% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  12.83 +/- 2.10   0.004% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  13.36 +/- 0.94   0.002% *  0.0387% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  14.25 +/- 0.84   0.001% *  0.0531% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  15.87 +/- 0.84   0.001% *  0.0634% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QB    ALA   91  22.54 +/- 1.28   0.000% *  0.4628% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  16.69 +/- 0.97   0.000% *  0.0531% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   23  17.04 +/- 1.03   0.000% *  0.0549% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  19.19 +/- 0.69   0.000% *  0.0946% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  20.37 +/- 1.79   0.000% *  0.0819% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  18.87 +/- 1.23   0.000% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  21.64 +/- 0.70   0.000% *  0.0356% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  24.98 +/- 1.08   0.000% *  0.0462% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  25.03 +/- 1.02   0.000% *  0.0447% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  20.94 +/- 0.51   0.000% *  0.0115% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  24.64 +/- 0.71   0.000% *  0.0302% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.05, residual support = 99.0:
    * O T HB2   LEU   40 - HA    LEU   40   2.37 +/- 0.12  97.530% * 97.9662% (1.00  10.0 10.00   5.05  99.03) =  99.999%  kept
          HB3   GLU-  14 - HA    GLU-  15   4.71 +/- 0.60   2.265% *  0.0386% (0.39   1.0  1.00   0.02   1.00) =   0.001%
        T HB2   LEU   67 - HA    GLU-  15   9.11 +/- 1.72   0.111% *  0.1222% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    ASN   35   9.85 +/- 0.27   0.020% *  0.3673% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    GLU-  15  12.72 +/- 1.37   0.006% *  0.7922% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    LEU   40  10.76 +/- 1.04   0.014% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU-  15   8.85 +/- 0.12   0.037% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    LEU   40  11.75 +/- 0.59   0.007% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    LEU   40  15.75 +/- 1.64   0.002% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  14.11 +/- 1.24   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU   40  16.13 +/- 1.14   0.001% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  17.79 +/- 0.90   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    ASN   35  17.68 +/- 0.89   0.001% *  0.0567% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  16.26 +/- 0.80   0.001% *  0.0294% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  17.25 +/- 1.36   0.001% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  23.26 +/- 2.66   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  25.15 +/- 1.25   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  20.66 +/- 0.83   0.000% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  22.83 +/- 3.29   0.000% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  28.02 +/- 1.15   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  33.84 +/- 1.22   0.000% *  0.0223% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (1.48, 4.40, 56.43 ppm):
    30 chemical-shift based assignments, quality = 0.893, support = 5.29, residual support = 99.0:
    * O T HB3   LEU   40 - HA    LEU   40   2.98 +/- 0.06  63.177% * 70.6117% (1.00  10.0 10.00   5.31  99.03) =  82.883%  kept
      O T HG    LEU   40 - HA    LEU   40   3.35 +/- 0.38  34.762% * 26.5014% (0.38  10.0 10.00   5.17  99.03) =  17.116%  kept
          HG    LEU   67 - HA    GLU-  15   9.85 +/- 3.03   1.743% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   40 - HA    GLU-  15  11.18 +/- 1.32   0.035% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ASN   35  10.26 +/- 0.32   0.039% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ASN   35  10.97 +/- 0.62   0.025% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LEU   40  10.27 +/- 1.43   0.060% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15  10.51 +/- 1.56   0.047% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  11.80 +/- 0.72   0.018% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    GLU-  15  10.78 +/- 0.54   0.031% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    LEU   40  20.70 +/- 1.86   0.001% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  12.56 +/- 1.10   0.014% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    LEU   40  19.49 +/- 1.60   0.001% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LEU   40  15.71 +/- 1.31   0.003% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  13.17 +/- 0.61   0.009% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  13.96 +/- 2.59   0.014% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    GLU-  15  21.20 +/- 1.31   0.001% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU   40  16.49 +/- 0.79   0.002% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  12.63 +/- 0.40   0.011% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  18.65 +/- 0.94   0.001% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  17.24 +/- 1.44   0.002% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ASN   35  27.95 +/- 1.91   0.000% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  17.65 +/- 0.82   0.002% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  21.92 +/- 1.77   0.000% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  26.50 +/- 1.67   0.000% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  22.11 +/- 1.42   0.000% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  20.11 +/- 0.62   0.001% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  20.18 +/- 2.54   0.001% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  21.37 +/- 2.70   0.001% *  0.0046% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  23.82 +/- 1.25   0.000% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 99.0:
    * O T HA    LEU   40 - HB2   LEU   40   2.37 +/- 0.12  82.685% * 98.0349% (1.00  10.0 10.00   5.05  99.03) =  99.995%  kept
          HA    LYS+  99 - HB2   LEU   40   3.57 +/- 0.97  17.002% *  0.0244% (0.25   1.0  1.00   0.02  13.40) =   0.005%
        T HA    GLU-  15 - HB2   LEU   67   9.11 +/- 1.72   0.108% *  0.0855% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   40   9.85 +/- 0.27   0.018% *  0.3679% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   40  12.72 +/- 1.37   0.006% *  0.9274% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   LEU   67  10.76 +/- 1.04   0.013% *  0.0904% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   40  10.73 +/- 0.28   0.011% *  0.0368% (0.38   1.0  1.00   0.02   0.14) =   0.000%
          HA    GLN   17 - HB2   LEU   67   8.13 +/- 1.28   0.114% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   40  14.09 +/- 2.30   0.004% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67  10.03 +/- 1.24   0.020% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   40  17.29 +/- 2.19   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   40  15.00 +/- 1.37   0.002% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  12.39 +/- 0.77   0.005% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   40  20.26 +/- 0.92   0.000% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  17.68 +/- 0.89   0.001% *  0.0339% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  11.98 +/- 1.42   0.007% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  15.59 +/- 1.80   0.002% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  20.35 +/- 0.30   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  21.53 +/- 1.52   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  15.32 +/- 1.10   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  16.56 +/- 0.98   0.001% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  16.89 +/- 1.04   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.972, support = 4.24, residual support = 98.6:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  83.431% * 69.9238% (1.00  10.0 10.00   4.24  99.03) =  95.774%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.61 +/- 0.24   8.900% * 26.2432% (0.38  10.0  1.00   4.73  99.03) =   3.834%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.67 +/- 0.24   7.608% *  3.1374% (0.04  10.0  1.00   4.88  57.38) =   0.392%
        T HB3   LEU   40 - HB2   LEU   67   8.12 +/- 1.16   0.012% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU   40   8.67 +/- 1.69   0.014% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   8.26 +/- 1.42   0.012% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  12.59 +/- 2.64   0.002% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  14.30 +/- 1.36   0.000% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.45 +/- 1.52   0.000% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   7.80 +/- 0.79   0.014% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   40  18.63 +/- 1.58   0.000% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  14.05 +/- 1.74   0.000% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  11.34 +/- 1.16   0.001% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  14.38 +/- 0.61   0.000% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  16.91 +/- 0.81   0.000% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  11.76 +/- 2.84   0.003% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  19.65 +/- 1.84   0.000% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  16.48 +/- 0.94   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67  13.11 +/- 0.95   0.001% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   67  14.90 +/- 0.73   0.000% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 398 (4.40, 1.48, 42.31 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 99.0:
    * O T HA    LEU   40 - HB3   LEU   40   2.98 +/- 0.06  87.124% * 97.9684% (1.00  10.0 10.00   5.31  99.03) =  99.997%  kept
          HA    LYS+  99 - HB3   LEU   40   4.75 +/- 0.73   7.680% *  0.0244% (0.25   1.0  1.00   0.02  13.40) =   0.002%
        T HA    GLU-  15 - HB3   LEU   40  11.18 +/- 1.32   0.046% *  0.9267% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  115   5.70 +/- 1.44   4.825% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU   40  10.26 +/- 0.32   0.053% *  0.3677% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  115   9.47 +/- 1.70   0.145% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU   40  10.67 +/- 0.21   0.042% *  0.0368% (0.38   1.0  1.00   0.02   0.14) =   0.000%
          HA    LEU  123 - HB3   LEU   40  13.86 +/- 2.29   0.019% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU   40  13.44 +/- 1.43   0.014% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU   40  16.03 +/- 2.02   0.005% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   LEU  115  19.49 +/- 1.60   0.001% *  0.1149% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  11.70 +/- 0.98   0.027% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU   40  19.14 +/- 1.02   0.001% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  21.20 +/- 1.31   0.001% *  0.1087% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  13.69 +/- 0.81   0.010% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  19.42 +/- 0.61   0.001% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  20.69 +/- 1.60   0.001% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  17.28 +/- 1.42   0.003% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  26.50 +/- 1.67   0.000% *  0.0431% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  19.11 +/- 1.59   0.001% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  28.03 +/- 1.45   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  28.30 +/- 1.48   0.000% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 399 (1.94, 1.48, 42.31 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.24, residual support = 99.0:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  99.981% * 99.4293% (1.00  10.0 10.00   4.24  99.03) = 100.000%  kept
        T HB2   LEU   67 - HB3   LEU   40   8.12 +/- 1.16   0.015% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU   40  12.28 +/- 0.69   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  14.42 +/- 1.69   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  14.50 +/- 1.39   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  18.63 +/- 1.58   0.000% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  14.05 +/- 1.74   0.001% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  12.93 +/- 1.47   0.001% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.22 +/- 0.87   0.001% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  22.15 +/- 2.48   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  15.84 +/- 1.47   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  26.65 +/- 1.24   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  25.07 +/- 1.37   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  34.53 +/- 1.65   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.17, residual support = 74.9:
    * O T HB    VAL   41 - HA    VAL   41   2.72 +/- 0.29  99.625% * 99.0830% (0.69  10.0 10.00   4.17  74.88) = 100.000%  kept
          HG12  ILE  103 - HA    VAL   41   9.16 +/- 0.50   0.085% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    VAL   41   7.92 +/- 0.58   0.198% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    VAL   41  11.50 +/- 0.46   0.022% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    VAL   41  11.61 +/- 0.79   0.022% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    VAL   41  13.36 +/- 1.55   0.010% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    VAL   41  11.21 +/- 0.54   0.027% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    VAL   41  13.31 +/- 0.56   0.008% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    VAL   41  19.20 +/- 1.98   0.001% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  24.04 +/- 0.85   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  19.09 +/- 0.67   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  19.35 +/- 0.48   0.001% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  21.31 +/- 0.79   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  24.86 +/- 1.70   0.000% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.07 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.18, residual support = 74.9:
    * O T QG1   VAL   41 - HA    VAL   41   2.48 +/- 0.35  93.232% * 98.7361% (1.00  10.0 10.00   4.18  74.88) =  99.995%  kept
          QG1   VAL   43 - HA    VAL   41   4.77 +/- 0.65   2.675% *  0.0934% (0.95   1.0  1.00   0.02   1.57) =   0.003%
          QD2   LEU   73 - HA    VAL   41   4.98 +/- 0.66   3.355% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HA    VAL   41   7.24 +/- 1.28   0.431% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HA    VAL   41  10.13 +/- 0.66   0.032% *  0.7546% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   41   8.96 +/- 0.57   0.051% *  0.1954% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   41   8.50 +/- 1.40   0.220% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   41  13.92 +/- 0.75   0.004% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   41  16.03 +/- 1.20   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 74.9:
    * O T QG2   VAL   41 - HA    VAL   41   2.71 +/- 0.40  95.062% * 99.7508% (1.00  10.0 10.00   3.98  74.88) =  99.995%  kept
          QD2   LEU   98 - HA    VAL   41   4.75 +/- 0.55   4.818% *  0.0944% (0.95   1.0  1.00   0.02  25.33) =   0.005%
          QD2   LEU   63 - HA    VAL   41   9.44 +/- 1.42   0.111% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    VAL   41  13.16 +/- 0.50   0.009% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.02 A, kept.
 
    Peak 405 (4.88, 1.84, 34.57 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.17, residual support = 74.9:
    * O T HA    VAL   41 - HB    VAL   41   2.72 +/- 0.29  99.985% * 99.8595% (0.69  10.0 10.00   4.17  74.88) = 100.000%  kept
          HA    PHE   45 - HB    VAL   41  13.15 +/- 0.60   0.009% *  0.0606% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB    VAL   41  15.14 +/- 1.67   0.006% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.97, residual support = 74.9:
    * O T QG1   VAL   41 - HB    VAL   41   2.13 +/- 0.01  96.071% * 98.7361% (0.69  10.0 10.00   3.97  74.88) =  99.997%  kept
          QG1   VAL   43 - HB    VAL   41   4.21 +/- 0.76   2.767% *  0.0934% (0.65   1.0  1.00   0.02   1.57) =   0.003%
          HG    LEU   31 - HB    VAL   41   6.24 +/- 1.29   0.691% *  0.0599% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB    VAL   41   6.10 +/- 1.02   0.406% *  0.0443% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   41   8.33 +/- 0.91   0.035% *  0.1954% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB    VAL   41  11.47 +/- 0.80   0.004% *  0.7546% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   41  10.08 +/- 1.77   0.024% *  0.0305% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   41  14.32 +/- 0.98   0.001% *  0.0639% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  16.48 +/- 1.19   0.000% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (0.55, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.95, residual support = 74.3:
    * O T QG2   VAL   41 - HB    VAL   41   2.12 +/- 0.01  81.529% * 95.2366% (0.69  10.0 10.00   3.98  74.88) =  98.914%  kept
          QD2   LEU   98 - HB    VAL   41   3.17 +/- 0.89  18.462% *  4.6155% (0.65   1.0  1.00   1.02  25.33) =   1.086%  kept
          QD2   LEU   63 - HB    VAL   41  10.47 +/- 1.19   0.008% *  0.0578% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB    VAL   41  12.88 +/- 0.64   0.002% *  0.0901% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (4.88, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 74.9:
    * O T HA    VAL   41 - QG2   VAL   41   2.71 +/- 0.40  99.958% * 99.8595% (1.00  10.0 10.00   3.98  74.88) = 100.000%  kept
          HA    PHE   45 - QG2   VAL   41  10.80 +/- 0.99   0.029% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   41  13.08 +/- 1.19   0.013% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.06 A, kept.
 
    Peak 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 3.98, residual support = 74.9:
    * O T HB    VAL   41 - QG2   VAL   41   2.12 +/- 0.01  99.553% * 99.0830% (0.69  10.0 10.00   3.98  74.88) = 100.000%  kept
          HG12  ILE  103 - QG2   VAL   41   5.93 +/- 0.70   0.274% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   VAL   41   7.15 +/- 0.63   0.085% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   VAL   41   7.93 +/- 0.73   0.044% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   VAL   41   9.78 +/- 0.72   0.012% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41   8.55 +/- 0.49   0.025% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   VAL   41  13.33 +/- 1.36   0.002% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   41  12.69 +/- 0.49   0.002% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   41  17.33 +/- 1.45   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  15.15 +/- 0.95   0.001% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  15.88 +/- 0.85   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  19.99 +/- 0.88   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  16.66 +/- 1.03   0.000% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  21.32 +/- 1.73   0.000% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 411 (0.76, 0.55, 21.65 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 3.85, residual support = 73.8:
    * O T QG1   VAL   41 - QG2   VAL   41   2.08 +/- 0.04  80.873% * 90.8189% (1.00  10.0 10.00   3.88  74.88) =  98.493%  kept
          QG1   VAL   43 - QG2   VAL   41   3.24 +/- 1.04  13.833% *  8.1045% (0.95   1.0  1.00   1.89   1.57) =   1.503%  kept
          HG    LEU   31 - QG2   VAL   41   4.69 +/- 1.18   2.728% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   73 - QG2   VAL   41   5.02 +/- 1.31   2.429% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU  104 - QG2   VAL   41   7.10 +/- 1.02   0.093% *  0.1797% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QG2   VAL   41   9.68 +/- 0.98   0.009% *  0.6941% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   41   8.51 +/- 1.41   0.031% *  0.0280% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QG2   VAL   41  11.84 +/- 1.01   0.003% *  0.0588% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   41  13.84 +/- 1.12   0.001% *  0.0202% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 412 (0.55, 0.55, 21.65 ppm):
    1 diagonal assignment:
    *     QG2   VAL   41 - QG2   VAL   41  (1.00)  kept
 
    Peak 413 (4.44, 4.44, 60.39 ppm):
    2 diagonal assignments:
    *     HA    VAL   42 - HA    VAL   42  (1.00)  kept
          HA    PHE   55 - HA    PHE   55  (0.13)  kept
 
    Peak 414 (1.39, 4.44, 60.39 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 4.37, residual support = 88.6:
    * O T HB    VAL   42 - HA    VAL   42   2.96 +/- 0.03  93.084% * 97.8517% (0.87  10.0 10.00   4.37  88.62) =  99.992%  kept
          QB    LEU   98 - HA    VAL   42   5.13 +/- 0.51   4.182% *  0.0862% (0.76   1.0  1.00   0.02   0.77) =   0.004%
        T HB2   LYS+ 112 - HA    PHE   55   7.73 +/- 1.91   1.501% *  0.1824% (0.16   1.0 10.00   0.02   3.40) =   0.003%
          HB3   LEU   73 - HA    VAL   42   7.18 +/- 1.27   0.971% *  0.0903% (0.80   1.0  1.00   0.02   1.11) =   0.001%
          HG3   LYS+ 106 - HA    VAL   42   9.11 +/- 0.67   0.129% *  0.0639% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    VAL   42  11.68 +/- 1.88   0.045% *  0.0506% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    VAL   42  12.52 +/- 0.50   0.017% *  0.1041% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    VAL   42  12.57 +/- 1.09   0.019% *  0.0862% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    VAL   42  11.70 +/- 0.63   0.026% *  0.0549% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HA    VAL   42  20.39 +/- 1.22   0.001% *  0.7749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    VAL   42  15.10 +/- 1.01   0.006% *  0.0979% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    VAL   42  14.21 +/- 0.77   0.008% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    PHE   55  20.48 +/- 1.44   0.001% *  0.2303% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    VAL   42  18.60 +/- 1.50   0.002% *  0.1089% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  16.46 +/- 1.78   0.004% *  0.0230% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  17.98 +/- 1.30   0.002% *  0.0129% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  20.89 +/- 1.31   0.001% *  0.0213% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  19.69 +/- 0.84   0.001% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  19.31 +/- 1.62   0.001% *  0.0119% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  22.31 +/- 1.09   0.001% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  22.60 +/- 1.09   0.000% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  28.07 +/- 1.80   0.000% *  0.0256% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  30.04 +/- 1.37   0.000% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  30.95 +/- 1.28   0.000% *  0.0245% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (0.37, 4.44, 60.39 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 88.6:
    * O T QG1   VAL   42 - HA    VAL   42   2.73 +/- 0.10  98.961% * 98.1799% (0.97  10.0 10.00   4.00  88.62) =  99.999%  kept
        T QB    ALA   64 - HA    VAL   42   8.35 +/- 0.56   0.137% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HA    PHE   55   9.72 +/- 0.79   0.057% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    PHE   55   7.13 +/- 1.59   0.830% *  0.0164% (0.16   1.0  1.00   0.02   3.40) =   0.000%
        T QB    ALA   47 - HA    VAL   42  14.79 +/- 0.26   0.004% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HA    PHE   55  15.14 +/- 1.10   0.004% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   64 - HA    PHE   55  13.77 +/- 1.04   0.007% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    VAL   42  20.15 +/- 1.84   0.001% *  0.0699% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (0.15, 4.44, 60.39 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 88.6:
    * O T QG2   VAL   42 - HA    VAL   42   2.13 +/- 0.08  99.957% * 99.6660% (0.80  10.0 10.00   4.00  88.62) = 100.000%  kept
          QG2   VAL   75 - HA    VAL   42   7.87 +/- 0.33   0.042% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HA    PHE   55  16.57 +/- 1.03   0.001% *  0.2346% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HA    PHE   55  16.53 +/- 0.95   0.001% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.37, residual support = 88.6:
    * O T HA    VAL   42 - HB    VAL   42   2.96 +/- 0.03  97.817% * 97.9628% (0.87  10.0 10.00   4.37  88.62) =  99.993%  kept
        T HA    PHE   55 - HB2   LYS+ 112   7.73 +/- 1.91   1.593% *  0.3914% (0.35   1.0 10.00   0.02   3.40) =   0.007%
          HA    ALA  110 - HB2   LYS+ 112   7.49 +/- 0.95   0.498% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    VAL   42  10.48 +/- 0.88   0.059% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - HB2   LYS+ 112  20.39 +/- 1.22   0.001% *  0.6913% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - HB    VAL   42  20.48 +/- 1.44   0.001% *  0.5546% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   42  14.05 +/- 0.64   0.009% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   42  14.00 +/- 0.43   0.009% *  0.0515% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LYS+ 112  15.71 +/- 1.66   0.005% *  0.0364% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  16.84 +/- 1.92   0.004% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  18.68 +/- 0.96   0.002% *  0.0368% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  19.20 +/- 1.35   0.001% *  0.0259% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  22.43 +/- 1.93   0.001% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  34.47 +/- 1.28   0.000% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.787, support = 4.65, residual support = 105.7:
    * O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.01  78.695% * 65.1690% (0.84  10.0 10.00   4.37  88.62) =  88.086%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.71 +/- 0.26  21.190% * 32.7352% (0.42  10.0 10.00   6.74 232.12) =  11.914%  kept
          QB    ALA   64 - HB    VAL   42   6.49 +/- 0.54   0.112% *  0.0134% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB2   LYS+ 112  13.72 +/- 1.48   0.001% *  0.4755% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  15.45 +/- 0.32   0.001% *  0.6738% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  15.66 +/- 1.31   0.001% *  0.4599% (0.59   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  20.50 +/- 2.07   0.000% *  0.4639% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HB2   LYS+ 112  15.60 +/- 1.16   0.001% *  0.0094% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.695, support = 4.27, residual support = 88.6:
    * O T QG2   VAL   42 - HB    VAL   42   2.12 +/- 0.01  99.976% * 99.1635% (0.69  10.0 10.00   4.27  88.62) = 100.000%  kept
          QG2   VAL   75 - HB    VAL   42   8.60 +/- 0.32   0.024% *  0.0801% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HB2   LYS+ 112  16.22 +/- 1.08   0.001% *  0.6998% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HB2   LYS+ 112  18.76 +/- 1.38   0.000% *  0.0565% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.837, support = 4.37, residual support = 88.6:
    * O T HB    VAL   42 - QG1   VAL   42   2.13 +/- 0.01  98.958% * 96.3200% (0.84  10.0 10.00   4.37  88.62) =  99.999%  kept
          HB3   LEU   73 - QG1   VAL   42   5.23 +/- 0.83   0.798% *  0.0889% (0.77   1.0  1.00   0.02   1.11) =   0.001%
          QB    LEU   98 - QG1   VAL   42   6.70 +/- 0.44   0.114% *  0.0849% (0.74   1.0  1.00   0.02   0.77) =   0.000%
          HB3   LYS+  74 - QG1   VAL   42   8.08 +/- 0.64   0.039% *  0.0540% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QG1   VAL   42   8.82 +/- 0.79   0.024% *  0.0629% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    ALA   47  13.72 +/- 1.48   0.002% *  0.6587% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG1   VAL   42   9.96 +/- 0.89   0.011% *  0.0963% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG1   VAL   42   9.87 +/- 1.72   0.019% *  0.0498% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG1   VAL   42  15.66 +/- 1.31   0.001% *  0.7627% (0.66   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    ALA   47  15.45 +/- 0.32   0.001% *  0.8318% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG1   VAL   42  11.24 +/- 0.69   0.005% *  0.1025% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  10.24 +/- 0.83   0.009% *  0.0467% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47  10.57 +/- 0.96   0.008% *  0.0296% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG1   VAL   42  13.03 +/- 1.00   0.002% *  0.0849% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    ALA   47  13.05 +/- 0.61   0.002% *  0.0768% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  14.59 +/- 1.14   0.001% *  0.1072% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  12.00 +/- 0.71   0.003% *  0.0343% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QB    ALA   47  16.49 +/- 0.99   0.001% *  0.0832% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QB    ALA   47  15.36 +/- 0.77   0.001% *  0.0543% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    ALA   47  16.20 +/- 0.44   0.001% *  0.0733% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  18.45 +/- 1.57   0.000% *  0.0430% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  22.18 +/- 1.40   0.000% *  0.0925% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  21.96 +/- 0.99   0.000% *  0.0885% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  22.76 +/- 1.19   0.000% *  0.0733% (0.64   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 88.6:
    * O T QG2   VAL   42 - QG1   VAL   42   2.08 +/- 0.05  99.835% * 98.9960% (0.77  10.0 10.00   4.00  88.62) = 100.000%  kept
          QG2   VAL   75 - QG1   VAL   42   6.31 +/- 0.36   0.140% *  0.0800% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - QB    ALA   47   8.48 +/- 0.47   0.023% *  0.0691% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - QB    ALA   47  13.02 +/- 0.27   0.002% *  0.8549% (0.67   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 425 (4.44, 0.15, 20.83 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 88.6:
    * O T HA    VAL   42 - QG2   VAL   42   2.13 +/- 0.08  99.980% * 99.2010% (0.80  10.0 10.00   4.00  88.62) = 100.000%  kept
          HA    GLN   17 - QG2   VAL   42   9.96 +/- 0.89   0.011% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG2   VAL   42  16.57 +/- 1.03   0.001% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG2   VAL   42  11.93 +/- 0.28   0.003% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   VAL   42  12.53 +/- 0.39   0.002% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   VAL   42  13.08 +/- 1.40   0.002% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG2   VAL   42  15.51 +/- 0.63   0.001% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.695, support = 4.27, residual support = 88.6:
    * O T HB    VAL   42 - QG2   VAL   42   2.12 +/- 0.01  99.216% * 98.4381% (0.69  10.0 10.00   4.27  88.62) =  99.999%  kept
          QB    LEU   98 - QG2   VAL   42   5.16 +/- 0.43   0.555% *  0.0867% (0.61   1.0  1.00   0.02   0.77) =   0.000%
          HB3   LEU   73 - QG2   VAL   42   7.33 +/- 0.96   0.091% *  0.0909% (0.64   1.0  1.00   0.02   1.11) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   42   8.39 +/- 1.78   0.067% *  0.0509% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QG2   VAL   42   7.86 +/- 0.62   0.043% *  0.0642% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG2   VAL   42  11.02 +/- 1.04   0.006% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG2   VAL   42  11.10 +/- 0.68   0.005% *  0.1048% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG2   VAL   42  11.11 +/- 0.91   0.005% *  0.0984% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG2   VAL   42  16.22 +/- 1.08   0.001% *  0.7795% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   42  10.59 +/- 0.60   0.007% *  0.0552% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   42  15.06 +/- 1.24   0.001% *  0.1095% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  13.79 +/- 0.67   0.001% *  0.0350% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 88.6:
    * O T QG1   VAL   42 - QG2   VAL   42   2.08 +/- 0.05  99.774% * 98.8869% (0.77  10.0 10.00   4.00  88.62) = 100.000%  kept
          QB    ALA   64 - QG2   VAL   42   6.01 +/- 0.69   0.223% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - QG2   VAL   42  13.02 +/- 0.27   0.002% *  1.0224% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QG2   VAL   42  16.00 +/- 1.52   0.001% *  0.0704% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 60.5:
    * O T HB    VAL   43 - HA    VAL   43   2.95 +/- 0.10  99.963% * 99.7401% (0.97  10.0 10.00   3.30  60.52) = 100.000%  kept
          HB2   LYS+  99 - HA    VAL   43  12.45 +/- 0.85   0.020% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    VAL   43  13.41 +/- 0.75   0.012% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    VAL   43  15.57 +/- 0.63   0.005% *  0.1024% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (0.76, 4.67, 60.29 ppm):
    9 chemical-shift based assignments, quality = 0.89, support = 4.33, residual support = 59.5:
    * O T QG1   VAL   43 - HA    VAL   43   2.66 +/- 0.16  69.353% * 95.4174% (0.90  10.0 10.00   4.38  60.52) =  98.138%  kept
          QD2   LEU   73 - HA    VAL   43   3.69 +/- 1.23  29.894% *  4.1982% (0.53   1.0  1.00   1.50   8.01) =   1.861%  kept
          QG1   VAL   41 - HA    VAL   43   7.02 +/- 0.48   0.258% *  0.1055% (0.99   1.0  1.00   0.02   1.57) =   0.000%
          QG2   VAL   18 - HA    VAL   43   7.11 +/- 0.86   0.258% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   43   8.29 +/- 0.79   0.083% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   43   8.69 +/- 0.64   0.072% *  0.0602% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   43   8.68 +/- 0.61   0.064% *  0.0265% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   43  12.41 +/- 1.02   0.007% *  0.0296% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    VAL   43  11.64 +/- 0.68   0.011% *  0.0164% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 60.5:
    * O T QG2   VAL   43 - HA    VAL   43   2.21 +/- 0.25  99.427% * 98.9143% (0.69  10.0 10.00   3.00  60.52) =  99.995%  kept
        T QD2   LEU   31 - HA    VAL   43   5.71 +/- 0.61   0.477% *  1.0457% (0.73   1.0 10.00   0.02   0.02) =   0.005%
          QG2   VAL   83 - HA    VAL   43   7.44 +/- 0.87   0.095% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.27 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 = 60.5:
    * O T HA    VAL   43 - HB    VAL   43   2.95 +/- 0.10  99.922% * 99.8083% (0.97  10.0 10.00   3.30  60.52) = 100.000%  kept
          HA    LEU   71 - HB    VAL   43  10.38 +/- 0.83   0.064% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB    VAL   43  13.78 +/- 0.73   0.010% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB    VAL   43  16.07 +/- 0.41   0.004% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 60.5:
    * O T QG1   VAL   43 - HB    VAL   43   2.14 +/- 0.01  99.032% * 97.7514% (0.87  10.0 10.00   3.74  60.52) =  99.999%  kept
        T QG1   VAL   41 - HB    VAL   43   7.31 +/- 0.52   0.069% *  1.0803% (0.96   1.0 10.00   0.02   1.57) =   0.001%
          QD2   LEU   73 - HB    VAL   43   5.85 +/- 1.20   0.815% *  0.0573% (0.51   1.0  1.00   0.02   8.01) =   0.000%
        T QG2   VAL   18 - HB    VAL   43   9.26 +/- 0.92   0.018% *  0.7487% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   43   8.20 +/- 0.67   0.035% *  0.0749% (0.66   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   43  10.96 +/- 0.87   0.006% *  0.1682% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   43   9.39 +/- 0.63   0.015% *  0.0617% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   43  10.88 +/- 0.75   0.006% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   43  12.57 +/- 1.05   0.003% *  0.0303% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 436 (0.06, 1.77, 34.62 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 2.89, residual support = 60.5:
    * O T QG2   VAL   43 - HB    VAL   43   2.12 +/- 0.02  99.510% * 98.9143% (0.66  10.0 10.00   2.89  60.52) =  99.997%  kept
        T QD2   LEU   31 - HB    VAL   43   5.95 +/- 0.50   0.235% *  1.0457% (0.70   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   83 - HB    VAL   43   6.19 +/- 0.81   0.255% *  0.0400% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (4.67, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.38, residual support = 60.5:
    * O T HA    VAL   43 - QG1   VAL   43   2.66 +/- 0.16  99.764% * 99.8083% (0.90  10.0 10.00   4.38  60.52) = 100.000%  kept
          HA    LEU   71 - QG1   VAL   43   7.67 +/- 0.78   0.207% *  0.0222% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - QG1   VAL   43  11.27 +/- 0.70   0.019% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG1   VAL   43  12.43 +/- 0.53   0.010% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 438 (1.77, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.866, support = 3.74, residual support = 60.5:
    * O T HB    VAL   43 - QG1   VAL   43   2.14 +/- 0.01  99.978% * 99.7401% (0.87  10.0 10.00   3.74  60.52) = 100.000%  kept
          HB2   LYS+  99 - QG1   VAL   43   9.20 +/- 0.82   0.018% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   43  13.36 +/- 0.75   0.002% *  0.1024% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   43  13.24 +/- 0.81   0.002% *  0.0544% (0.47   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 60.5:
    * O T QG2   VAL   43 - QG1   VAL   43   2.08 +/- 0.02  93.240% * 98.9143% (0.62  10.0 10.00   3.87  60.52) =  99.928%  kept
        T QD2   LEU   31 - QG1   VAL   43   3.55 +/- 0.75   6.338% *  1.0457% (0.65   1.0 10.00   0.02   0.02) =   0.072%
          QG2   VAL   83 - QG1   VAL   43   5.50 +/- 0.78   0.422% *  0.0400% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (1.77, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 2.89, residual support = 60.5:
    * O T HB    VAL   43 - QG2   VAL   43   2.12 +/- 0.02  99.741% * 99.3815% (0.66  10.0 10.00   2.89  60.52) =  99.999%  kept
        T HB    VAL   43 - QD2   LEU   31   5.95 +/- 0.50   0.236% *  0.2851% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG2   VAL   43  11.36 +/- 0.80   0.005% *  0.1028% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   43  11.57 +/- 0.65   0.004% *  0.1021% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD2   LEU   31  10.26 +/- 1.11   0.010% *  0.0295% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   43  12.91 +/- 0.61   0.002% *  0.0542% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  14.60 +/- 0.61   0.001% *  0.0293% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  13.67 +/- 0.89   0.002% *  0.0155% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.535, support = 4.21, residual support = 89.5:
    * O T QG1   VAL   43 - QG2   VAL   43   2.08 +/- 0.02  41.223% * 80.9559% (0.62  10.0 10.00   3.87  60.52) =  83.047%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.01  38.221% * 17.7908% (0.14  10.0 10.00   5.90 231.76) =  16.921%  kept
        T QG1   VAL   43 - QD2   LEU   31   3.55 +/- 0.75   2.875% *  0.2323% (0.18   1.0 10.00   0.02   0.02) =   0.017%
          QG1   VAL   41 - QD2   LEU   31   3.24 +/- 1.07  12.710% *  0.0257% (0.20   1.0  1.00   0.02   0.02) =   0.008%
          QD2   LEU   73 - QG2   VAL   43   4.02 +/- 0.94   4.046% *  0.0475% (0.36   1.0  1.00   0.02   8.01) =   0.005%
        T HG    LEU   31 - QG2   VAL   43   5.88 +/- 0.69   0.100% *  0.6201% (0.47   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   73 - QD2   LEU   31   4.43 +/- 0.66   0.643% *  0.0136% (0.10   1.0  1.00   0.02   1.37) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.13 +/- 0.56   0.072% *  0.0895% (0.68   1.0  1.00   0.02   1.57) =   0.000%
          QG2   VAL   18 - QG2   VAL   43   7.24 +/- 0.75   0.030% *  0.0620% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QG2   VAL   43   7.25 +/- 0.58   0.028% *  0.0511% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   43   8.16 +/- 0.63   0.013% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   31   7.39 +/- 0.78   0.024% *  0.0065% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QD2   LEU   31   9.53 +/- 0.78   0.005% *  0.0178% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  11.20 +/- 0.96   0.002% *  0.0251% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QG2   VAL   43  10.33 +/- 0.73   0.003% *  0.0139% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31  11.08 +/- 0.53   0.002% *  0.0147% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31   9.99 +/- 0.89   0.004% *  0.0040% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.98 +/- 0.78   0.000% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.68, residual support = 37.8:
    * O T HB2   ASP-  44 - HA    ASP-  44   2.98 +/- 0.16  99.535% * 97.1917% (1.00  10.0 10.00   2.68  37.81) =  99.999%  kept
          HB3   PHE   72 - HA    ASP-  44   8.14 +/- 0.97   0.325% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASP-  44  14.52 +/- 1.36   0.009% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  44  10.84 +/- 0.62   0.049% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASP-  44  16.72 +/- 1.43   0.004% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  44  10.88 +/- 1.16   0.055% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP-  44  12.52 +/- 0.68   0.020% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASP-  44  25.12 +/- 1.42   0.000% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  16.63 +/- 0.58   0.003% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 37.8:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.53 +/- 0.21  99.548% * 98.4998% (1.00  10.0 10.00   4.00  37.81) =  99.999%  kept
        T QB    ALA   84 - HA    ASP-  44   9.13 +/- 0.44   0.050% *  0.7887% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ASP-  44   7.59 +/- 0.67   0.169% *  0.0753% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASP-  44   8.51 +/- 0.90   0.119% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ASP-  44   9.39 +/- 1.08   0.051% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASP-  44  10.56 +/- 0.74   0.021% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASP-  44  10.22 +/- 0.52   0.031% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ASP-  44  14.29 +/- 0.57   0.004% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASP-  44  14.71 +/- 1.59   0.003% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ASP-  44  18.19 +/- 1.05   0.001% *  0.0951% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  15.80 +/- 0.71   0.002% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  16.77 +/- 1.24   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  20.48 +/- 0.49   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.29, 2.27, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.68, residual support = 37.8:
    * O T HA    ASP-  44 - HB2   ASP-  44   2.98 +/- 0.16  99.647% * 98.1053% (1.00  10.0 10.00   2.68  37.81) = 100.000%  kept
          HA    ALA   57 - HB2   ASP-  44   8.80 +/- 1.15   0.285% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ASP-  44  11.78 +/- 0.48   0.027% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ASP-  44  16.54 +/- 1.20   0.004% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  44  13.73 +/- 0.56   0.011% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ASP-  44  15.64 +/- 0.42   0.005% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ASP-  44  14.92 +/- 0.39   0.007% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ASP-  44  25.67 +/- 1.53   0.000% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ASP-  44  16.24 +/- 0.63   0.004% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  16.12 +/- 0.43   0.004% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  16.17 +/- 0.63   0.004% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  22.85 +/- 1.50   0.001% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.62, residual support = 37.8:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  99.962% * 99.2040% (1.00  10.0 10.00   2.62  37.81) = 100.000%  kept
          HB2   LEU   63 - HB2   ASP-  44   7.56 +/- 0.92   0.020% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  44   8.37 +/- 0.85   0.010% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  44  10.36 +/- 0.45   0.002% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  44  11.15 +/- 1.24   0.002% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  11.17 +/- 0.80   0.002% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  14.87 +/- 0.74   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  12.77 +/- 0.56   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  16.44 +/- 1.38   0.000% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  18.11 +/- 1.14   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  16.63 +/- 1.07   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  17.43 +/- 1.46   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  20.77 +/- 0.81   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.29, 1.34, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 37.8:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.53 +/- 0.21  99.750% * 99.3093% (1.00  10.0 10.00   4.00  37.81) = 100.000%  kept
          HA    ALA   57 - HB3   ASP-  44   8.19 +/- 1.28   0.220% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   ASP-  44  11.58 +/- 0.43   0.013% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  44  13.54 +/- 0.66   0.005% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   ASP-  44  15.31 +/- 0.47   0.002% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   ASP-  44  15.36 +/- 0.63   0.003% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  15.41 +/- 0.88   0.002% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  16.00 +/- 0.41   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  16.93 +/- 0.43   0.001% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  17.64 +/- 1.15   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  26.81 +/- 1.68   0.000% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  23.97 +/- 1.47   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (2.27, 1.34, 38.87 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.62, residual support = 37.8:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  99.957% * 99.4398% (1.00  10.0 10.00   2.62  37.81) = 100.000%  kept
          HB3   PHE   72 - HB3   ASP-  44   6.96 +/- 1.05   0.037% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP-  44  10.43 +/- 1.14   0.003% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   ASP-  44  11.91 +/- 0.82   0.001% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  13.72 +/- 1.46   0.001% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  15.75 +/- 1.38   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  12.59 +/- 0.82   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  17.28 +/- 1.11   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  24.30 +/- 1.52   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (1.34, 1.34, 38.87 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  44 - HB3   ASP-  44  (1.00)  kept
 
    Peak 454 (4.86, 4.86, 58.73 ppm):
    1 diagonal assignment:
    *     HA    PHE   45 - HA    PHE   45  (1.00)  kept
 
    Peak 455 (3.05, 4.86, 58.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.4:
    * O T HB2   PHE   45 - HA    PHE   45   3.07 +/- 0.01  99.847% * 99.8680% (1.00  10.0 10.00   3.31  80.40) = 100.000%  kept
          HB2   CYS   21 - HA    PHE   45   9.31 +/- 0.71   0.148% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    PHE   45  15.98 +/- 0.69   0.005% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 456 (2.42, 4.86, 58.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 80.4:
    * O T HB3   PHE   45 - HA    PHE   45   2.53 +/- 0.06  99.964% * 99.6736% (1.00  10.0 10.00   4.00  80.40) = 100.000%  kept
          HB    VAL  107 - HA    PHE   45  10.67 +/- 0.54   0.019% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    PHE   45  11.69 +/- 0.61   0.011% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    PHE   45  15.95 +/- 1.92   0.002% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    PHE   45  17.72 +/- 0.98   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    PHE   45  14.92 +/- 0.79   0.003% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  17.83 +/- 0.97   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 457 (4.86, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.4:
    * O T HA    PHE   45 - HB2   PHE   45   3.07 +/- 0.01  99.987% * 99.9145% (1.00  10.0 10.00   3.31  80.40) = 100.000%  kept
          HA    VAL   41 - HB2   PHE   45  14.00 +/- 0.35   0.011% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   PHE   45  19.29 +/- 1.04   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 458 (3.05, 3.05, 39.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   45 - HB2   PHE   45  (1.00)  kept
 
    Peak 459 (2.42, 3.05, 39.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.4:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  99.992% * 99.6736% (1.00  10.0 10.00   3.31  80.40) = 100.000%  kept
          HB    VAL  107 - HB2   PHE   45   9.02 +/- 0.58   0.006% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   PHE   45  10.91 +/- 0.50   0.002% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   PHE   45  14.81 +/- 1.69   0.000% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  15.23 +/- 0.88   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  19.52 +/- 0.98   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  19.00 +/- 1.08   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (4.86, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 80.4:
    * O T HA    PHE   45 - HB3   PHE   45   2.53 +/- 0.06  99.997% * 99.9145% (1.00  10.0 10.00   4.00  80.40) = 100.000%  kept
          HA    VAL   41 - HB3   PHE   45  14.56 +/- 0.19   0.003% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   PHE   45  20.75 +/- 0.97   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (3.05, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.4:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.998% * 99.8680% (1.00  10.0 10.00   3.31  80.40) = 100.000%  kept
          HB2   CYS   21 - HB3   PHE   45  10.96 +/- 0.71   0.002% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   PHE   45  15.04 +/- 0.85   0.000% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.55 +/- 0.13  99.994% * 98.0423% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          HA    LYS+ 112 - HA    THR   46  13.93 +/- 1.28   0.005% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   13  23.16 +/- 1.57   0.000% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   37  25.72 +/- 0.92   0.000% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    THR   46  19.13 +/- 1.00   0.001% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   37  19.89 +/- 1.92   0.001% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  21.53 +/- 1.63   0.000% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  31.97 +/- 1.54   0.000% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  31.24 +/- 1.76   0.000% *  0.0384% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.15 +/- 0.17  98.544% * 97.3989% (1.00  10.0 10.00   3.00  34.52) =  99.999%  kept
          QG2   VAL   18 - HA    THR   46   8.40 +/- 0.92   0.367% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    SER   13   7.96 +/- 0.87   0.517% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   37   8.37 +/- 0.30   0.296% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    THR   46  10.42 +/- 0.60   0.092% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    SER   37  11.65 +/- 1.06   0.046% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   37  13.39 +/- 0.78   0.018% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   13  13.01 +/- 0.81   0.024% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    THR   46  13.99 +/- 0.79   0.015% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   13  19.50 +/- 1.19   0.002% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   37  13.99 +/- 0.76   0.014% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   37  21.87 +/- 0.75   0.001% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   13  14.66 +/- 2.01   0.016% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    THR   46  15.53 +/- 0.41   0.007% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   37  16.79 +/- 0.66   0.005% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  16.64 +/- 1.58   0.006% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  13.26 +/- 0.41   0.019% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    THR   46  17.98 +/- 0.68   0.003% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   13  20.68 +/- 1.71   0.002% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  17.41 +/- 0.57   0.004% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  19.21 +/- 1.92   0.003% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 466 (4.42, 3.44, 70.99 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HA    THR   46 - HB    THR   46   2.55 +/- 0.13  99.969% * 98.0777% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          HA    PRO   58 - HB    THR   46  11.26 +/- 0.94   0.016% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    THR   46  13.07 +/- 1.03   0.007% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    THR   46  13.01 +/- 0.52   0.006% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB    THR   46  23.16 +/- 1.57   0.000% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   37 - HB    THR   46  25.72 +/- 0.92   0.000% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  17.04 +/- 0.97   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  19.46 +/- 0.58   0.001% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.17 +/- 0.01  99.817% * 99.5878% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          QG2   VAL   18 - HB    THR   46   6.68 +/- 1.06   0.167% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    THR   46  10.19 +/- 0.75   0.011% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    THR   46  12.36 +/- 1.11   0.004% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  15.02 +/- 0.62   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  18.12 +/- 0.77   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  16.82 +/- 0.80   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.15 +/- 0.17  99.791% * 98.0777% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          HA    PRO   58 - QG2   THR   46  10.61 +/- 1.37   0.106% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG2   THR   46  11.49 +/- 0.79   0.047% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG2   THR   46  11.79 +/- 0.73   0.038% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - QG2   THR   46  19.50 +/- 1.19   0.002% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QG2   THR   46  21.87 +/- 0.75   0.001% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG2   THR   46  14.66 +/- 0.67   0.011% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG2   THR   46  17.09 +/- 0.72   0.004% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.17 +/- 0.01  99.998% * 99.8459% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          HA    LYS+ 112 - QG2   THR   46  13.98 +/- 1.46   0.002% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - QG2   THR   46  17.13 +/- 1.18   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 11.0:
    * O T QB    ALA   47 - HA    ALA   47   2.14 +/- 0.01  99.996% * 99.0048% (0.95  10.0 10.00   2.00  10.99) = 100.000%  kept
        T QG1   VAL   42 - HA    ALA   47  12.99 +/- 0.22   0.002% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HA    ALA   47  13.87 +/- 0.71   0.001% *  0.0323% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    ALA   47  17.82 +/- 1.88   0.000% *  0.0551% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (4.56, 0.37, 21.60 ppm):
    12 chemical-shift based assignments, quality = 0.931, support = 2.02, residual support = 10.9:
    * O T HA    ALA   47 - QB    ALA   47   2.14 +/- 0.01  68.205% * 93.1173% (0.95  10.0 10.00   2.00  10.99) =  97.227%  kept
          HA    CYS   50 - QB    ALA   47   2.79 +/- 1.18  31.023% *  5.8376% (0.42   1.0  1.00   2.80   6.97) =   2.772%  kept
          HA    TRP   49 - QB    ALA   47   4.78 +/- 0.33   0.729% *  0.0259% (0.26   1.0  1.00   0.02  15.99) =   0.000%
          HA    VAL  108 - QB    ALA   47   9.18 +/- 0.83   0.013% *  0.0913% (0.93   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   47 - QG1   VAL   42  12.99 +/- 0.22   0.001% *  0.7132% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QG1   VAL   42  10.18 +/- 0.74   0.006% *  0.0699% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    ALA   47   9.50 +/- 1.15   0.012% *  0.0383% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42   9.85 +/- 0.60   0.008% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  13.59 +/- 0.73   0.001% *  0.0293% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  14.15 +/- 1.22   0.001% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  14.90 +/- 0.68   0.001% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  17.36 +/- 0.82   0.000% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 1.83, residual support = 9.66:
    * O T QB    SER   48 - HA    SER   48   2.29 +/- 0.08  99.347% * 96.0221% (1.00  10.0 10.00   1.83   9.66) =  99.998%  kept
        T QB    SER   85 - HB2   SER   82   5.54 +/- 0.33   0.550% *  0.2561% (0.27   1.0 10.00   0.02   2.96) =   0.001%
          HA2   GLY   51 - HA    SER   48   8.96 +/- 0.53   0.030% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HB2   SER   82  13.57 +/- 1.57   0.003% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER   48  14.85 +/- 1.54   0.002% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    VAL   70   9.24 +/- 1.41   0.037% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   48  12.26 +/- 0.63   0.005% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70  10.28 +/- 0.68   0.013% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    VAL   70  16.72 +/- 0.92   0.001% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   48  21.88 +/- 1.19   0.000% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  14.34 +/- 0.50   0.002% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HA2   GLY   16 - HA    SER   48  23.07 +/- 1.17   0.000% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  14.76 +/- 1.47   0.002% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  15.15 +/- 1.42   0.001% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    VAL   70  23.08 +/- 0.56   0.000% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  15.27 +/- 1.32   0.001% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  12.35 +/- 0.87   0.005% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  22.70 +/- 0.69   0.000% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  26.22 +/- 1.28   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  17.38 +/- 0.71   0.001% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   48  21.33 +/- 1.12   0.000% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  26.37 +/- 1.04   0.000% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  22.91 +/- 0.84   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  27.80 +/- 1.35   0.000% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  27.04 +/- 0.63   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  28.78 +/- 1.04   0.000% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  22.99 +/- 0.94   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  31.40 +/- 1.04   0.000% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  28.84 +/- 1.04   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  32.30 +/- 0.75   0.000% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 478 (3.99, 3.94, 63.31 ppm):
    1 diagonal assignment:
          QB    SER   85 - QB    SER   85  (0.03)  kept
    Reference assignment not found: HA    SER   48 - QB    SER   48
 
    Peak 479 (3.94, 3.94, 63.31 ppm):
    3 diagonal assignments:
    *     QB    SER   48 - QB    SER   48  (1.00)  kept
          QB    SER  117 - QB    SER  117  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.15)  kept
 
    Peak 480 (4.58, 4.58, 54.06 ppm):
    2 diagonal assignments:
    *     HA    TRP   49 - HA    TRP   49  (1.00)  kept
          HA    CYS   50 - HA    CYS   50  (0.89)  kept
 
    Peak 481 (3.69, 4.58, 54.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.89, residual support = 74.0:
    * O T HB2   TRP   49 - HA    TRP   49   2.42 +/- 0.14  99.204% * 50.9151% (1.00  10.0 10.00   3.90  74.54) =  99.271%  kept
        T HB2   TRP   49 - HA    CYS   50   5.59 +/- 0.30   0.772% * 47.9899% (0.94   1.0 10.00   3.00   3.41) =   0.728%  kept
        T HA2   GLY  109 - HA    CYS   50  12.25 +/- 1.86   0.008% *  0.3843% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY  109 - HA    TRP   49  15.86 +/- 2.07   0.002% *  0.4077% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    CYS   50  14.17 +/- 1.20   0.003% *  0.0454% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    TRP   49  15.98 +/- 0.79   0.001% *  0.0482% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  12.83 +/- 1.63   0.005% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    CYS   50  19.00 +/- 0.96   0.000% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  19.86 +/- 1.06   0.000% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  14.63 +/- 0.69   0.002% *  0.0069% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  24.43 +/- 2.17   0.000% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  23.59 +/- 1.68   0.000% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (3.15, 4.58, 54.06 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.89, residual support = 74.1:
    * O T HB3   TRP   49 - HA    TRP   49   2.46 +/- 0.06  99.339% * 51.4295% (0.84  10.0 10.00   3.90  74.54) =  99.383%  kept
        T HB3   TRP   49 - HA    CYS   50   5.99 +/- 0.41   0.655% * 48.4748% (0.79   1.0 10.00   3.01   3.41) =   0.617%  kept
          HB3   PHE   59 - HA    CYS   50  12.85 +/- 1.00   0.005% *  0.0465% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   59 - HA    TRP   49  17.32 +/- 1.45   0.001% *  0.0493% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (4.58, 3.69, 29.61 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.9, residual support = 74.5:
    * O T HA    TRP   49 - HB2   TRP   49   2.42 +/- 0.14  99.070% * 97.9260% (1.00  10.0 10.00   3.90  74.54) =  99.993%  kept
        T HA    CYS   50 - HB2   TRP   49   5.59 +/- 0.30   0.770% *  0.9263% (0.95   1.0 10.00   0.02   3.41) =   0.007%
          HA    ALA   47 - HB2   TRP   49   7.46 +/- 0.32   0.157% *  0.0272% (0.28   1.0  1.00   0.02  15.99) =   0.000%
        T HA1   GLY  109 - HB2   TRP   49  15.26 +/- 1.46   0.002% *  0.9451% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB2   TRP   49  16.14 +/- 1.20   0.002% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB2   TRP   49  22.32 +/- 1.04   0.000% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  31.04 +/- 1.00   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 74.5:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00 100.000% * 99.9042% (0.84  10.0 10.00   3.00  74.54) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  17.46 +/- 1.34   0.000% *  0.0958% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 3.9, residual support = 74.5:
    * O T HA    TRP   49 - HB3   TRP   49   2.46 +/- 0.06  99.068% * 98.7661% (0.84  10.0 10.00   3.90  74.54) =  99.994%  kept
        T HA    CYS   50 - HB3   TRP   49   5.99 +/- 0.41   0.653% *  0.9343% (0.79   1.0 10.00   0.02   3.41) =   0.006%
          HA    ALA   47 - HB3   TRP   49   6.69 +/- 0.34   0.275% *  0.0275% (0.23   1.0  1.00   0.02  15.99) =   0.000%
          HA1   GLY  109 - HB3   TRP   49  15.45 +/- 1.52   0.002% *  0.0953% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  16.10 +/- 1.20   0.002% *  0.0195% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB3   TRP   49  21.57 +/- 0.91   0.000% *  0.0934% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  30.55 +/- 0.95   0.000% *  0.0639% (0.54   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.0, residual support = 74.5:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.999% * 99.6151% (0.84  10.0 10.00   3.00  74.54) = 100.000%  kept
          HA2   GLY  109 - HB3   TRP   49  15.20 +/- 1.98   0.000% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   TRP   49  15.36 +/- 0.90   0.000% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  15.13 +/- 0.65   0.000% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  24.14 +/- 1.93   0.000% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  24.62 +/- 2.23   0.000% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (3.15, 3.15, 29.61 ppm):
    1 diagonal assignment:
    *     HB3   TRP   49 - HB3   TRP   49  (0.70)  kept
 
    Peak 489 (4.58, 4.58, 54.04 ppm):
    2 diagonal assignments:
    *     HA    CYS   50 - HA    CYS   50  (1.00)  kept
          HA    TRP   49 - HA    TRP   49  (0.89)  kept
 
    Peak 490 (2.80, 4.58, 54.04 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 1.53, residual support = 6.97:
    * O T QB    CYS   50 - HA    CYS   50   2.27 +/- 0.12  97.991% * 51.3514% (1.00  10.0 10.00   1.50   7.04) =  98.170%  kept
        T QB    CYS   50 - HA    TRP   49   4.51 +/- 0.31   1.938% * 48.4012% (0.94   1.0 10.00   3.17   3.41) =   1.830%  kept
          QE    LYS+  74 - HA    CYS   50   9.14 +/- 1.25   0.030% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    TRP   49  11.92 +/- 1.26   0.009% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    TRP   49   9.73 +/- 1.28   0.021% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    CYS   50  10.94 +/- 1.50   0.010% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  17.31 +/- 1.72   0.001% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  20.68 +/- 1.17   0.000% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYS   50  26.99 +/- 1.66   0.000% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  30.83 +/- 1.43   0.000% *  0.0388% (0.75   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 1.5, residual support = 7.04:
    * O T HA    CYS   50 - QB    CYS   50   2.27 +/- 0.12  97.533% * 98.7658% (1.00  10.0 10.00   1.50   7.04) =  99.981%  kept
        T HA    TRP   49 - QB    CYS   50   4.51 +/- 0.31   1.929% *  0.9343% (0.95   1.0 10.00   0.02   3.41) =   0.019%
          HA    ALA   47 - QB    CYS   50   5.54 +/- 0.55   0.526% *  0.0443% (0.45   1.0  1.00   0.02   6.97) =   0.000%
          HA1   GLY  109 - QB    CYS   50  12.69 +/- 1.54   0.006% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    CYS   50  12.49 +/- 1.20   0.005% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    CYS   50  16.61 +/- 1.41   0.001% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  24.88 +/- 1.04   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 7.1, residual support = 223.0:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  94.688% * 99.8323% (1.00  10.0 10.00   7.10 223.05) =  99.998%  kept
          HA    ALA   91 - HD2   PRO   52   7.19 +/- 1.28   5.108% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 111 - HD2   PRO   52  11.96 +/- 1.16   0.160% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HD2   PRO   52  14.64 +/- 0.68   0.040% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HD2   PRO   52  21.51 +/- 0.79   0.004% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.19 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.51, residual support = 223.0:
    * O T HB2   PRO   52 - HD2   PRO   52   3.88 +/- 0.07  99.979% * 99.5699% (1.00  10.0 10.00   6.51 223.05) = 100.000%  kept
        T HG2   MET   96 - HD2   PRO   52  18.69 +/- 0.85   0.008% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HD2   PRO   52  17.39 +/- 0.75   0.013% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 495 (1.84, 3.98, 51.93 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.63, residual support = 223.0:
    * O T HB3   PRO   52 - HD2   PRO   52   4.01 +/- 0.07  91.244% * 98.1836% (1.00  10.0 10.00   6.63 223.05) =  99.997%  kept
          HG2   ARG+  54 - HD2   PRO   52   6.59 +/- 0.47   5.148% *  0.0368% (0.38   1.0  1.00   0.02   1.76) =   0.002%
          HG2   PRO   93 - HD2   PRO   52   7.45 +/- 1.09   3.262% *  0.0303% (0.31   1.0  1.00   0.02   1.02) =   0.001%
        T QB    LYS+  81 - HD2   PRO   52  13.94 +/- 1.07   0.059% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   52  11.21 +/- 1.23   0.260% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   PRO   52  23.49 +/- 0.86   0.002% *  0.9818% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   PRO   52  19.41 +/- 0.91   0.007% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   PRO   52  26.06 +/- 0.72   0.001% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   52  22.43 +/- 0.91   0.003% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   52  23.54 +/- 0.66   0.002% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   52  20.79 +/- 0.80   0.005% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  23.68 +/- 0.83   0.002% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   PRO   52  26.59 +/- 1.61   0.001% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  25.19 +/- 0.62   0.002% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.13 A, kept.
 
    Peak 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.5, residual support = 223.0:
    * O T HG2   PRO   52 - HD2   PRO   52   2.53 +/- 0.28  96.217% * 99.6094% (1.00  10.0 10.00   6.50 223.05) =  99.997%  kept
          HG2   MET   92 - HD2   PRO   52   5.56 +/- 1.12   3.768% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU- 114 - HD2   PRO   52  13.51 +/- 1.54   0.008% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD2   PRO   52  15.75 +/- 1.20   0.002% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  14.52 +/- 0.84   0.003% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  26.11 +/- 1.26   0.000% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  34.80 +/- 1.09   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (2.08, 3.98, 51.93 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.5, residual support = 223.0:
    * O T HG3   PRO   52 - HD2   PRO   52   2.64 +/- 0.28  99.619% * 98.5427% (1.00  10.0 10.00   6.50 223.05) = 100.000%  kept
          HB2   PRO   93 - HD2   PRO   52   7.57 +/- 1.42   0.372% *  0.0304% (0.31   1.0  1.00   0.02   1.02) =   0.000%
        T HG2   PRO   58 - HD2   PRO   52  12.99 +/- 0.81   0.009% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    GLN   32 - HD2   PRO   52  26.93 +/- 0.79   0.000% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  19.93 +/- 1.27   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  28.10 +/- 1.75   0.000% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  27.01 +/- 1.13   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  37.73 +/- 2.64   0.000% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.1, residual support = 223.0:
    * O T HB2   PRO   52 - HA    PRO   52   2.67 +/- 0.15  99.997% * 99.5699% (1.00  10.0 10.00   5.10 223.05) = 100.000%  kept
        T HG2   MET   96 - HA    PRO   52  19.48 +/- 0.80   0.001% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HA    PRO   52  16.09 +/- 1.04   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 501 (1.84, 4.51, 65.44 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 223.0:
    * O T HB3   PRO   52 - HA    PRO   52   2.37 +/- 0.15  98.910% * 99.2796% (1.00  10.0 10.00   6.10 223.05) = 100.000%  kept
          HG2   ARG+  54 - HA    PRO   52   6.16 +/- 0.83   0.718% *  0.0373% (0.38   1.0  1.00   0.02   1.76) =   0.000%
          HG2   PRO   93 - HA    PRO   52   6.63 +/- 1.17   0.367% *  0.0306% (0.31   1.0  1.00   0.02   1.02) =   0.000%
        T QB    LYS+  81 - HA    PRO   52  17.05 +/- 1.00   0.001% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   52  13.41 +/- 1.24   0.004% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   52  18.53 +/- 1.07   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   52  21.50 +/- 1.18   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  23.06 +/- 1.01   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  20.16 +/- 0.87   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  24.70 +/- 0.86   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  24.05 +/- 0.81   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  26.19 +/- 1.89   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  25.46 +/- 0.66   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  27.68 +/- 0.66   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (2.32, 4.51, 65.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.0:
    * O T HG2   PRO   52 - HA    PRO   52   3.94 +/- 0.04  87.729% * 99.6094% (1.00  10.0 10.00   5.98 223.05) =  99.991%  kept
          HG2   MET   92 - HA    PRO   52   6.21 +/- 1.43  11.962% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.009%
          QG    GLU- 114 - HA    PRO   52  11.70 +/- 1.59   0.212% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PRO   52  12.81 +/- 1.14   0.090% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    PRO   52  19.26 +/- 1.03   0.007% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   52  29.30 +/- 1.05   0.001% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  36.50 +/- 1.03   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.38 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 223.0:
    * O T HG3   PRO   52 - HA    PRO   52   3.92 +/- 0.04  97.110% * 98.7160% (1.00  10.0 10.00   5.97 223.05) =  99.996%  kept
        T HG2   PRO   58 - HA    PRO   52  10.88 +/- 1.15   0.272% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HB2   PRO   93 - HA    PRO   52   7.63 +/- 1.21   2.613% *  0.0305% (0.31   1.0  1.00   0.02   1.02) =   0.001%
          HB2   GLU-  14 - HA    PRO   52  29.50 +/- 1.40   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  22.96 +/- 1.16   0.003% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   52  26.81 +/- 1.24   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  28.85 +/- 0.66   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  39.01 +/- 2.36   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.82 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.1, residual support = 223.0:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  99.751% * 99.4673% (1.00  10.0 10.00   7.10 223.05) = 100.000%  kept
          HA    SER   48 - HA    PRO   52  11.33 +/- 0.58   0.201% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    PRO   52  17.63 +/- 1.51   0.015% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    PRO   52  18.31 +/- 1.10   0.011% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    PRO   52  21.39 +/- 0.78   0.004% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    PRO   52  19.76 +/- 0.66   0.007% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    PRO   52  20.71 +/- 1.30   0.005% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HA    PRO   52  23.03 +/- 0.83   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    PRO   52  25.18 +/- 0.75   0.002% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  32.15 +/- 0.76   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  30.58 +/- 0.65   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  32.87 +/- 0.66   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.79 A, kept.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.1, residual support = 223.0:
    * O T HA    PRO   52 - HB2   PRO   52   2.67 +/- 0.15  98.950% * 99.4915% (1.00  10.0 10.00   5.10 223.05) = 100.000%  kept
          HA    ALA   91 - HB2   PRO   52   7.00 +/- 1.53   0.765% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HB2   PRO   52   8.36 +/- 1.33   0.172% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   MET   96   9.02 +/- 0.77   0.081% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  11.78 +/- 1.14   0.016% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - HG2   MET   96  19.48 +/- 0.80   0.001% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  12.70 +/- 0.92   0.010% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  16.49 +/- 1.09   0.002% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  15.05 +/- 0.87   0.003% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  22.26 +/- 1.15   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.07, residual support = 223.0:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  96.873% * 98.7825% (1.00  10.0 10.00   6.07 223.05) =  99.999%  kept
          HG12  ILE  103 - HG2   MET   96   3.98 +/- 1.01   2.076% *  0.0260% (0.26   1.0  1.00   0.02   9.18) =   0.001%
          HG2   PRO   93 - HB2   PRO   52   4.74 +/- 1.57   0.884% *  0.0305% (0.31   1.0  1.00   0.02   1.02) =   0.000%
          HB    ILE  103 - HG2   MET   96   5.71 +/- 0.91   0.111% *  0.0119% (0.12   1.0  1.00   0.02   9.18) =   0.000%
          HG2   ARG+  54 - HB2   PRO   52   8.03 +/- 0.67   0.013% *  0.0371% (0.38   1.0  1.00   0.02   1.76) =   0.000%
          HB    VAL   41 - HG2   MET   96   8.02 +/- 1.44   0.020% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   8.05 +/- 0.99   0.013% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  11.30 +/- 1.47   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  15.59 +/- 1.20   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   8.93 +/- 0.72   0.006% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  18.37 +/- 0.80   0.000% *  0.2902% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  15.85 +/- 0.74   0.000% *  0.0448% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  13.39 +/- 0.91   0.001% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  18.13 +/- 1.18   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  15.37 +/- 1.29   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  21.06 +/- 1.16   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  20.84 +/- 1.40   0.000% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  18.42 +/- 1.19   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  14.33 +/- 0.86   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  18.88 +/- 1.35   0.000% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  15.24 +/- 0.83   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  22.83 +/- 1.21   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  18.65 +/- 2.09   0.000% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  21.78 +/- 1.23   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  25.48 +/- 1.94   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  21.95 +/- 1.21   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  23.54 +/- 1.03   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  26.31 +/- 0.98   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (2.32, 2.63, 32.81 ppm):
    14 chemical-shift based assignments, quality = 0.998, support = 6.03, residual support = 222.6:
    * O T HG2   PRO   52 - HB2   PRO   52   2.60 +/- 0.27  77.748% * 98.6231% (1.00  10.0 10.00   6.04 223.05) =  99.812%  kept
          HG2   MET   92 - HB2   PRO   52   4.15 +/- 1.79  22.156% *  0.6507% (0.65   1.0  1.00   0.20   0.02) =   0.188%
          QG    GLU- 114 - HB2   PRO   52  10.46 +/- 1.74   0.073% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   MET   96  17.57 +/- 1.20   0.001% *  0.2897% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  11.95 +/- 1.61   0.012% *  0.0210% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  13.47 +/- 0.88   0.006% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   PRO   52  18.04 +/- 1.37   0.001% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  15.75 +/- 0.66   0.002% *  0.0187% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  17.58 +/- 1.34   0.001% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  20.08 +/- 1.39   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  20.89 +/- 0.91   0.000% *  0.0187% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  27.71 +/- 1.49   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  19.96 +/- 1.25   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  34.87 +/- 1.39   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 509 (2.08, 2.63, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 223.0:
    * O T HG3   PRO   52 - HB2   PRO   52   2.53 +/- 0.25  98.790% * 98.0617% (1.00  10.0 10.00   6.04 223.05) =  99.999%  kept
          HB2   PRO   93 - HB2   PRO   52   5.96 +/- 1.50   1.176% *  0.0303% (0.31   1.0  1.00   0.02   1.02) =   0.000%
        T HG2   PRO   58 - HB2   PRO   52  11.55 +/- 0.97   0.014% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG2   MET   96  17.77 +/- 1.09   0.001% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   MET   96  19.35 +/- 1.17   0.001% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  12.42 +/- 1.03   0.010% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  14.17 +/- 1.78   0.005% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  15.39 +/- 0.97   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  22.26 +/- 1.48   0.000% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  19.16 +/- 1.52   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  21.15 +/- 1.59   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  28.83 +/- 1.71   0.000% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  26.12 +/- 1.31   0.000% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  27.27 +/- 1.10   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  31.25 +/- 2.11   0.000% *  0.0282% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  38.50 +/- 2.40   0.000% *  0.0961% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 510 (3.98, 2.63, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.51, residual support = 223.0:
    * O T HD2   PRO   52 - HB2   PRO   52   3.88 +/- 0.07  99.356% * 99.0230% (1.00  10.0 10.00   6.51 223.05) = 100.000%  kept
          HA    SER   48 - HB2   PRO   52  11.13 +/- 0.69   0.196% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   MET   96  11.78 +/- 0.87   0.151% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PRO   52  15.24 +/- 1.77   0.034% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG2   MET   96  18.69 +/- 0.85   0.008% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   MET   96  12.90 +/- 0.69   0.079% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PRO   52  16.36 +/- 1.35   0.020% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   MET   96  15.84 +/- 1.08   0.024% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  14.97 +/- 0.84   0.033% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PRO   52  21.18 +/- 0.85   0.004% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  18.99 +/- 1.05   0.008% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  17.02 +/- 1.03   0.015% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  21.17 +/- 1.24   0.004% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  19.71 +/- 1.00   0.006% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  18.95 +/- 0.82   0.008% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  16.85 +/- 1.15   0.017% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  20.07 +/- 1.28   0.006% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  17.26 +/- 1.09   0.014% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  20.24 +/- 1.32   0.005% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  24.78 +/- 0.97   0.002% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  17.84 +/- 0.90   0.011% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  30.28 +/- 1.23   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  28.84 +/- 1.18   0.001% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  31.25 +/- 1.10   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (4.51, 1.84, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 223.0:
    * O T HA    PRO   52 - HB3   PRO   52   2.37 +/- 0.15  99.682% * 99.6990% (1.00  10.0 10.00   6.10 223.05) = 100.000%  kept
          HA    ALA   91 - HB3   PRO   52   7.24 +/- 1.30   0.219% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HB3   PRO   52   8.79 +/- 1.29   0.074% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  12.79 +/- 0.92   0.006% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - QB    LYS+  81  17.05 +/- 1.00   0.001% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  10.70 +/- 1.15   0.015% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  13.67 +/- 0.64   0.003% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  23.36 +/- 0.76   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  20.82 +/- 1.05   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  18.71 +/- 0.51   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (2.63, 1.84, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 223.0:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  99.999% * 99.4073% (1.00  10.0 10.00   6.07 223.05) = 100.000%  kept
        T HG2   MET   96 - HB3   PRO   52  18.37 +/- 0.80   0.000% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  15.59 +/- 1.20   0.000% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  15.85 +/- 0.74   0.000% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HB3   PRO   52  17.10 +/- 1.31   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  24.16 +/- 0.84   0.000% *  0.0065% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.13, residual support = 223.0:
    * O T HG2   PRO   52 - HB3   PRO   52   2.60 +/- 0.32  86.092% * 99.4355% (1.00  10.0 10.00   6.13 223.05) =  99.990%  kept
          HG2   MET   92 - HB3   PRO   52   4.53 +/- 1.48  13.520% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.010%
          HB2   GLU-  79 - QB    LYS+  81   6.77 +/- 0.32   0.337% *  0.0091% (0.09   1.0  1.00   0.02   1.50) =   0.000%
          QG    GLU- 114 - HB3   PRO   52  11.11 +/- 1.63   0.026% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - QB    LYS+  81  13.90 +/- 1.03   0.005% *  0.1141% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  12.61 +/- 0.60   0.008% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   PRO   52  18.72 +/- 1.21   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  14.24 +/- 1.39   0.004% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  13.49 +/- 2.09   0.007% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  19.04 +/- 1.30   0.001% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  28.55 +/- 1.12   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  23.60 +/- 1.06   0.000% *  0.0176% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  36.08 +/- 0.92   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  25.76 +/- 0.83   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 223.0:
    * O T HG3   PRO   52 - HB3   PRO   52   2.64 +/- 0.31  99.332% * 98.1909% (1.00  10.0 10.00   6.12 223.05) =  99.998%  kept
        T HB2   PRO   93 - HB3   PRO   52   7.21 +/- 1.01   0.472% *  0.3031% (0.31   1.0 10.00   0.02   1.02) =   0.001%
        T HG2   PRO   58 - HB3   PRO   52  12.29 +/- 1.38   0.018% *  0.9819% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - QB    LYS+  81  14.01 +/- 1.23   0.006% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81   8.11 +/- 0.60   0.165% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - QB    LYS+  81  22.86 +/- 1.10   0.000% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  15.02 +/- 1.09   0.004% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  29.97 +/- 1.73   0.000% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  22.00 +/- 1.17   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  27.31 +/- 1.49   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  17.84 +/- 0.70   0.001% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  24.73 +/- 1.28   0.000% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  28.28 +/- 0.73   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  39.58 +/- 2.29   0.000% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  27.89 +/- 0.88   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  32.88 +/- 1.97   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.02 A, kept.
 
    Peak 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 0.995, support = 6.61, residual support = 222.0:
    * O T HD2   PRO   52 - HB3   PRO   52   4.01 +/- 0.07  53.620% * 97.2454% (1.00  10.0 10.00   6.63 223.05) =  99.488%  kept
          HB2   SER   82 - QB    LYS+  81   4.35 +/- 0.43  35.728% *  0.7496% (0.04   1.0  1.00   3.94  11.89) =   0.511%  kept
          QB    SER   85 - QB    LYS+  81   5.41 +/- 0.34   9.612% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB3   PRO   52  11.44 +/- 0.83   0.112% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  81   8.86 +/- 0.56   0.499% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  81  13.94 +/- 1.07   0.036% *  0.1116% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  81  10.73 +/- 1.81   0.332% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   PRO   52  15.76 +/- 1.57   0.018% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   PRO   52  16.79 +/- 1.19   0.011% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QB    LYS+  81  20.56 +/- 0.69   0.003% *  0.1055% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  17.53 +/- 0.62   0.008% *  0.0278% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB3   PRO   52  31.43 +/- 0.81   0.000% *  0.9199% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   PRO   52  22.29 +/- 1.25   0.002% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  20.15 +/- 1.05   0.003% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB3   PRO   52  29.92 +/- 0.74   0.000% *  0.2425% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PRO   52  21.72 +/- 0.92   0.002% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB3   PRO   52  21.05 +/- 1.45   0.003% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  25.93 +/- 1.19   0.001% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PRO   52  32.45 +/- 0.77   0.000% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  22.74 +/- 0.77   0.002% *  0.0172% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  18.46 +/- 0.40   0.006% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  24.91 +/- 0.92   0.001% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  25.45 +/- 0.38   0.001% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  27.90 +/- 0.73   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.49 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.0:
    * O T HA    PRO   52 - HG2   PRO   52   3.94 +/- 0.04  81.109% * 99.8323% (1.00  10.0 10.00   5.98 223.05) =  99.993%  kept
          HA    ALA   91 - HG2   PRO   52   5.70 +/- 1.32  18.432% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.007%
          HA    LYS+ 111 - HG2   PRO   52  10.45 +/- 1.28   0.389% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   52  13.16 +/- 0.98   0.067% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   52  21.65 +/- 0.95   0.003% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.03 A, kept.
 
    Peak 518 (2.63, 2.32, 28.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 223.0:
    * O T HB2   PRO   52 - HG2   PRO   52   2.60 +/- 0.27  99.998% * 99.5699% (1.00  10.0 10.00   6.04 223.05) = 100.000%  kept
        T HG2   MET   96 - HG2   PRO   52  17.57 +/- 1.20   0.001% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG2   PRO   52  17.62 +/- 1.10   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (1.84, 2.32, 28.73 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.13, residual support = 223.0:
    * O T HB3   PRO   52 - HG2   PRO   52   2.60 +/- 0.32  98.451% * 99.2796% (1.00  10.0 10.00   6.13 223.05) = 100.000%  kept
          HG2   PRO   93 - HG2   PRO   52   6.15 +/- 1.18   1.351% *  0.0306% (0.31   1.0  1.00   0.02   1.02) =   0.000%
          HG2   ARG+  54 - HG2   PRO   52   8.41 +/- 0.59   0.130% *  0.0373% (0.38   1.0  1.00   0.02   1.76) =   0.000%
          HB3   GLN   90 - HG2   PRO   52   9.97 +/- 1.22   0.059% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   52  13.90 +/- 1.03   0.006% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   52  19.42 +/- 1.32   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  21.26 +/- 1.13   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   52  22.99 +/- 1.14   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  19.66 +/- 1.10   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  23.02 +/- 1.08   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  22.32 +/- 1.09   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  26.63 +/- 1.70   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  24.10 +/- 0.93   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  26.15 +/- 0.82   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 520 (2.32, 2.32, 28.73 ppm):
    1 diagonal assignment:
    *     HG2   PRO   52 - HG2   PRO   52  (1.00)  kept
 
    Peak 521 (2.08, 2.32, 28.73 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 223.0:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  99.947% * 98.7160% (1.00  10.0 10.00   5.99 223.05) = 100.000%  kept
          HB2   PRO   93 - HG2   PRO   52   6.86 +/- 1.23   0.052% *  0.0305% (0.31   1.0  1.00   0.02   1.02) =   0.000%
        T HG2   PRO   58 - HG2   PRO   52  13.30 +/- 1.13   0.001% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  19.92 +/- 1.34   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  28.89 +/- 1.70   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   PRO   52  27.14 +/- 1.15   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  26.86 +/- 0.89   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  38.60 +/- 2.59   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 522 (3.98, 2.32, 28.73 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.5, residual support = 223.0:
    * O T HD2   PRO   52 - HG2   PRO   52   2.53 +/- 0.28  99.947% * 99.4673% (1.00  10.0 10.00   6.50 223.05) = 100.000%  kept
          HA    SER   48 - HG2   PRO   52   9.44 +/- 0.98   0.043% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   52  14.27 +/- 1.59   0.005% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  15.10 +/- 1.19   0.003% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  19.53 +/- 0.99   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  19.15 +/- 1.16   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  22.16 +/- 1.11   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  25.42 +/- 1.17   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  21.99 +/- 1.28   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  29.97 +/- 0.98   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  28.18 +/- 0.97   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  31.09 +/- 0.89   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 523 (4.51, 2.08, 28.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 223.0:
    * O T HA    PRO   52 - HG3   PRO   52   3.92 +/- 0.04  82.425% * 98.8988% (1.00  10.0 10.00   5.97 223.05) =  99.991%  kept
          HA    ALA   91 - HG3   PRO   52   5.79 +/- 1.44  16.504% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.006%
        T HA    PRO   52 - HG2   PRO   58  10.88 +/- 1.15   0.248% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+ 111 - HG3   PRO   52  10.47 +/- 1.38   0.374% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   PRO   58  10.96 +/- 1.90   0.299% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG3   PRO   52  13.29 +/- 1.09   0.062% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   58  13.18 +/- 1.34   0.072% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  17.19 +/- 1.03   0.012% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  21.91 +/- 1.35   0.003% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   58  23.59 +/- 0.85   0.002% *  0.0421% (0.43   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.35 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 223.0:
    * O T HB2   PRO   52 - HG3   PRO   52   2.53 +/- 0.25  99.386% * 98.4337% (1.00  10.0 10.00   6.04 223.05) = 100.000%  kept
          HB2   ASP-  62 - HG2   PRO   58   6.43 +/- 0.69   0.597% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - HG2   PRO   58  11.55 +/- 0.97   0.014% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG3   PRO   52  17.77 +/- 1.09   0.001% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG2   PRO   58  19.35 +/- 1.17   0.001% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG3   PRO   52  17.86 +/- 1.13   0.001% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (1.84, 2.08, 28.73 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 223.0:
    * O T HB3   PRO   52 - HG3   PRO   52   2.64 +/- 0.31  96.478% * 97.4419% (1.00  10.0 10.00   6.12 223.05) =  99.990%  kept
        T HG2   PRO   93 - HG3   PRO   52   6.36 +/- 1.63   3.151% *  0.3008% (0.31   1.0 10.00   0.02   1.02) =   0.010%
        T HB3   PRO   52 - HG2   PRO   58  12.29 +/- 1.38   0.017% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG2   PRO   58  10.32 +/- 1.40   0.042% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.50 +/- 0.59   0.127% *  0.0366% (0.38   1.0  1.00   0.02   1.76) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   9.78 +/- 1.17   0.076% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   58  10.47 +/- 0.68   0.031% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  10.10 +/- 1.40   0.054% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  14.01 +/- 1.23   0.006% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   58  12.74 +/- 1.10   0.009% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  17.80 +/- 1.71   0.002% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.50 +/- 1.09   0.002% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  19.63 +/- 1.39   0.001% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  21.44 +/- 1.36   0.000% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  22.86 +/- 1.10   0.000% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   PRO   52  23.16 +/- 1.24   0.000% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  22.17 +/- 1.39   0.000% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  19.83 +/- 1.20   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  23.27 +/- 1.24   0.000% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  22.36 +/- 1.05   0.000% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  22.47 +/- 1.16   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  20.69 +/- 1.13   0.001% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  23.31 +/- 1.15   0.000% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  26.90 +/- 2.10   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  26.39 +/- 1.20   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  25.06 +/- 0.80   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  24.23 +/- 0.95   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  23.60 +/- 1.00   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.12 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.985, support = 5.96, residual support = 221.7:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  86.247% * 86.8129% (1.00  10.0 10.00   5.99 223.05) =  98.235%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.50 +/- 0.30  12.401% * 10.8440% (0.12  10.0 10.00   4.27 146.52) =   1.764%  kept
          HG2   MET   92 - HG3   PRO   52   4.09 +/- 0.97   1.347% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   52 - HG2   PRO   58  13.30 +/- 1.13   0.001% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   PRO   58  11.30 +/- 1.52   0.002% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   PRO   52  12.17 +/- 1.74   0.002% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  15.26 +/- 1.05   0.000% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  14.15 +/- 1.78   0.000% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  16.68 +/- 1.64   0.000% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  23.09 +/- 1.02   0.000% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  33.25 +/- 1.46   0.000% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  35.01 +/- 1.60   0.000% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  26.63 +/- 1.68   0.000% *  0.0821% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  31.43 +/- 0.96   0.000% *  0.0665% (0.77   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.5, residual support = 223.0:
    * O T HD2   PRO   52 - HG3   PRO   52   2.64 +/- 0.28  99.894% * 96.1754% (1.00  10.0 10.00   6.50 223.05) = 100.000%  kept
        T HD2   PRO   52 - HG2   PRO   58  12.99 +/- 0.81   0.009% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   PRO   52   9.61 +/- 0.86   0.060% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   PRO   52  14.35 +/- 1.61   0.005% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   58  13.00 +/- 0.49   0.008% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  15.19 +/- 1.28   0.003% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   58  12.78 +/- 1.08   0.010% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   PRO   58  16.93 +/- 1.39   0.002% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  15.54 +/- 0.73   0.003% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  17.82 +/- 0.86   0.001% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   PRO   52  30.22 +/- 1.32   0.000% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG2   PRO   58  30.57 +/- 0.93   0.000% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  19.68 +/- 1.28   0.001% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  19.45 +/- 1.40   0.001% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  23.51 +/- 1.22   0.000% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  28.44 +/- 1.32   0.000% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  22.44 +/- 1.17   0.000% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  29.99 +/- 0.85   0.000% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  23.75 +/- 0.96   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  29.95 +/- 0.90   0.000% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  22.17 +/- 1.30   0.000% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  25.71 +/- 1.40   0.000% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  31.36 +/- 1.31   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  28.34 +/- 0.87   0.000% *  0.0266% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 43.4:
    * O T HB2   CYS   53 - HA    CYS   53   2.94 +/- 0.10  97.986% * 99.5207% (1.00  10.0 10.00   2.96  43.36) =  99.999%  kept
          HD3   PRO   52 - HA    CYS   53   6.25 +/- 0.04   1.083% *  0.0684% (0.69   1.0  1.00   0.02  52.41) =   0.001%
          HD2   PRO   58 - HA    CYS   53   6.87 +/- 0.76   0.928% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    CYS   53  21.01 +/- 0.95   0.001% *  0.1970% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    CYS   53  19.08 +/- 1.00   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    CYS   53  24.13 +/- 1.03   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  26.52 +/- 1.23   0.000% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 531 (3.34, 4.17, 63.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.19, residual support = 43.4:
    * O T HB3   CYS   53 - HA    CYS   53   2.66 +/- 0.18  79.566% * 99.5685% (1.00  10.0 10.00   3.19  43.36) =  99.976%  kept
          HD3   PRO   93 - HA    CYS   53   4.18 +/- 1.19  14.920% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.018%
          QB    PHE   55 - HA    CYS   53   4.32 +/- 0.36   5.216% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.006%
          HD2   ARG+  54 - HA    CYS   53   7.81 +/- 0.47   0.151% *  0.0987% (0.99   1.0  1.00   0.02  32.22) =   0.000%
          HB2   PHE   59 - HA    CYS   53   8.33 +/- 1.16   0.147% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    CYS   53  20.25 +/- 1.39   0.000% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 532 (4.17, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 43.4:
    * O T HA    CYS   53 - HB2   CYS   53   2.94 +/- 0.10  99.991% * 98.9901% (1.00  10.0 10.00   2.96  43.36) = 100.000%  kept
        T HA    GLU-  25 - HB2   CYS   53  23.37 +/- 1.50   0.000% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HB2   CYS   53  19.30 +/- 1.54   0.001% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   CYS   53  17.32 +/- 1.46   0.003% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  16.48 +/- 0.96   0.003% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  22.99 +/- 1.48   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.25, residual support = 43.4:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  99.829% * 99.5685% (1.00  10.0 10.00   3.25  43.36) = 100.000%  kept
          HD3   PRO   93 - HB2   CYS   53   6.03 +/- 0.93   0.091% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   CYS   53   6.20 +/- 0.19   0.052% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB2   CYS   53   7.14 +/- 0.45   0.024% *  0.0987% (0.99   1.0  1.00   0.02  32.22) =   0.000%
          HB2   PHE   59 - HB2   CYS   53  10.21 +/- 1.42   0.004% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   CYS   53  21.14 +/- 1.62   0.000% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (4.17, 3.34, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.19, residual support = 43.4:
    * O T HA    CYS   53 - HB3   CYS   53   2.66 +/- 0.18  99.994% * 99.7562% (1.00  10.0 10.00   3.19  43.36) = 100.000%  kept
          HA    ILE   19 - HB3   CYS   53  17.18 +/- 1.13   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  16.10 +/- 0.69   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  22.79 +/- 1.33   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  18.58 +/- 1.39   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  22.52 +/- 1.24   0.000% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 43.4:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  99.897% * 99.6975% (1.00  10.0 10.00   3.25  43.36) = 100.000%  kept
          HD3   PRO   52 - HB3   CYS   53   5.85 +/- 0.70   0.091% *  0.0685% (0.69   1.0  1.00   0.02  52.41) =   0.000%
          HD2   PRO   58 - HB3   CYS   53   8.10 +/- 0.69   0.012% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   CYS   53  18.16 +/- 1.29   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  23.32 +/- 1.29   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  19.76 +/- 1.25   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  26.88 +/- 1.52   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.75, residual support = 158.7:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.79 +/- 0.09  97.297% * 98.6035% (1.00  10.0 10.00   4.75 158.67) =  99.999%  kept
          HB    ILE  119 - HA    LEU  115   5.70 +/- 0.81   1.828% *  0.0263% (0.27   1.0  1.00   0.02   8.16) =   0.001%
          HB2   PRO   93 - HA    ARG+  54   8.62 +/- 1.71   0.244% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LEU  115   8.06 +/- 1.67   0.492% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LEU  115   9.06 +/- 1.14   0.121% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    LEU  115  14.19 +/- 0.92   0.006% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ARG+  54  15.36 +/- 1.06   0.004% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ARG+  54  16.09 +/- 1.30   0.003% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  25.65 +/- 1.83   0.000% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  24.21 +/- 1.72   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  17.73 +/- 2.26   0.002% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  21.88 +/- 1.19   0.000% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  25.03 +/- 1.70   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  22.50 +/- 1.74   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  22.88 +/- 1.48   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  25.53 +/- 1.55   0.000% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  34.85 +/- 3.00   0.000% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  23.74 +/- 1.26   0.000% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  31.44 +/- 1.49   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  34.50 +/- 1.64   0.000% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.18 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 158.7:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.52 +/- 0.42  98.533% * 96.1276% (1.00  10.0 10.00   4.74 158.67) =  99.999%  kept
        T HB3   PRO   52 - HA    ARG+  54   7.94 +/- 0.28   0.181% *  0.3608% (0.38   1.0 10.00   0.02   1.76) =   0.001%
          HB    ILE   56 - HA    ARG+  54   6.71 +/- 0.40   0.455% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LEU  115   7.07 +/- 0.93   0.571% *  0.0122% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LEU  115  12.49 +/- 1.49   0.024% *  0.1110% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  115   8.45 +/- 1.01   0.108% *  0.0247% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LEU  115   9.06 +/- 1.32   0.073% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LEU  115  15.11 +/- 1.09   0.006% *  0.2958% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    ARG+  54  18.50 +/- 1.59   0.001% *  0.8338% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LEU  115  17.25 +/- 2.91   0.002% *  0.2932% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  10.72 +/- 1.05   0.032% *  0.0111% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    ARG+  54  23.11 +/- 1.96   0.000% *  0.9528% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ARG+  54  16.79 +/- 1.20   0.002% *  0.0887% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ARG+  54  16.63 +/- 0.95   0.002% *  0.0803% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LEU  115  21.17 +/- 0.81   0.000% *  0.2566% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  15.64 +/- 1.33   0.003% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  17.23 +/- 1.61   0.002% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ARG+  54  20.37 +/- 1.05   0.001% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ARG+  54  19.77 +/- 1.10   0.001% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  15.14 +/- 1.34   0.003% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  25.25 +/- 1.15   0.000% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  25.90 +/- 1.58   0.000% *  0.0928% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  23.02 +/- 1.08   0.000% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  23.85 +/- 1.33   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  24.19 +/- 1.68   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  21.90 +/- 1.22   0.000% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  24.87 +/- 1.63   0.000% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  32.47 +/- 1.56   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.06 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.995, support = 4.39, residual support = 151.0:
    *   T HD2   ARG+  54 - HA    ARG+  54   3.67 +/- 0.75  61.610% * 73.7919% (1.00 10.00   4.42 158.67) =  94.468%  kept
          HB3   CYS   53 - HA    ARG+  54   5.07 +/- 0.54  11.394% * 14.0973% (0.99  1.00   3.85  32.22) =   3.338%  kept
          QB    PHE   55 - HA    ARG+  54   5.10 +/- 0.07   9.066% * 11.6220% (0.80  1.00   3.93   3.18) =   2.189%  kept
          HB2   PHE   59 - HA    LEU  115   5.66 +/- 1.52  15.818% *  0.0119% (0.16  1.00   0.02  29.52) =   0.004%
          HD3   PRO   93 - HA    ARG+  54   8.48 +/- 1.02   0.499% *  0.0662% (0.90  1.00   0.02   0.02) =   0.001%
          QB    PHE   55 - HA    LEU  115   8.50 +/- 0.94   0.985% *  0.0182% (0.25  1.00   0.02   3.01) =   0.000%
          HB2   PHE   59 - HA    ARG+  54   9.60 +/- 1.23   0.315% *  0.0388% (0.53  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    LEU  115  10.35 +/- 1.30   0.232% *  0.0204% (0.28  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HA    LEU  115  15.65 +/- 0.85   0.012% *  0.2271% (0.31 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    LEU  115  12.47 +/- 0.65   0.049% *  0.0225% (0.30  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    LEU  115  15.43 +/- 2.30   0.019% *  0.0197% (0.27  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    ARG+  54  21.20 +/- 1.85   0.002% *  0.0640% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 4.75, residual support = 158.7:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.79 +/- 0.09  99.970% * 98.5625% (1.00  10.0 10.00   4.75 158.67) = 100.000%  kept
        T HA    LEU  115 - HB2   ARG+  54  14.19 +/- 0.92   0.007% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  13.29 +/- 1.35   0.011% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  20.15 +/- 1.50   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  17.18 +/- 0.85   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  25.65 +/- 1.83   0.000% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  16.92 +/- 1.45   0.003% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  17.74 +/- 1.34   0.002% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  25.53 +/- 1.55   0.000% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  27.44 +/- 1.45   0.000% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  20.29 +/- 4.09   0.002% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  19.62 +/- 2.96   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  28.33 +/- 1.53   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  25.03 +/- 2.26   0.000% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  34.85 +/- 3.00   0.000% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  30.73 +/- 1.39   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  22.39 +/- 2.40   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  34.50 +/- 1.64   0.000% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  26.03 +/- 1.37   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  31.56 +/- 2.17   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  25.62 +/- 2.61   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  37.13 +/- 1.41   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  30.65 +/- 3.15   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  28.99 +/- 2.46   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  29.45 +/- 1.44   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  35.38 +/- 2.15   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  38.12 +/- 1.52   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.79, residual support = 158.7:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.47 +/- 0.38  96.148% * 97.3460% (1.00  10.0 10.00   4.80 158.67) =  99.996%  kept
          QB    PHE   55 - HB2   ARG+  54   4.70 +/- 0.32   3.168% *  0.0779% (0.80   1.0  1.00   0.02   3.18) =   0.003%
        T HD3   PRO   93 - HB2   ARG+  54   9.00 +/- 1.13   0.107% *  0.8730% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   CYS   53 - HB2   ARG+  54   6.59 +/- 0.70   0.555% *  0.0965% (0.99   1.0  1.00   0.02  32.22) =   0.001%
          HB2   PHE   59 - HB2   ARG+  54  11.26 +/- 1.32   0.016% *  0.0512% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   GLU-  14  14.76 +/- 1.15   0.004% *  0.1242% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   ARG+  54  23.44 +/- 1.97   0.000% *  0.8444% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   MET   11  21.62 +/- 2.04   0.000% *  0.0816% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  27.19 +/- 1.43   0.000% *  0.1284% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HB2   GLU-  14  28.39 +/- 2.31   0.000% *  0.1432% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  24.41 +/- 1.73   0.000% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  22.67 +/- 1.14   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  37.35 +/- 3.44   0.000% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  25.40 +/- 1.08   0.000% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  36.96 +/- 1.86   0.000% *  0.0844% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  34.07 +/- 2.54   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  33.71 +/- 2.06   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  31.66 +/- 1.76   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 158.7:
    *   T HA    ARG+  54 - HD2   ARG+  54   3.67 +/- 0.75  99.956% * 99.0328% (1.00 10.00   4.42 158.67) = 100.000%  kept
        T HA    LEU  115 - HD2   ARG+  54  15.65 +/- 0.85   0.028% *  0.6007% (0.61 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   ARG+  54  21.28 +/- 1.41   0.005% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD2   ARG+  54  18.70 +/- 0.96   0.009% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HD2   ARG+  54  28.24 +/- 1.90   0.001% *  0.0971% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HD2   ARG+  54  29.38 +/- 1.74   0.001% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  31.64 +/- 1.95   0.000% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  32.91 +/- 2.45   0.000% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  38.04 +/- 1.97   0.000% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.8, residual support = 158.7:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.47 +/- 0.38  99.979% * 97.9068% (1.00  10.0 10.00   4.80 158.67) = 100.000%  kept
        T HB2   PRO   93 - HD2   ARG+  54  11.62 +/- 1.66   0.018% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   ARG+  54  17.80 +/- 1.47   0.001% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD2   ARG+  54  18.75 +/- 1.17   0.001% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   ARG+  54  28.14 +/- 1.92   0.000% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD2   ARG+  54  28.39 +/- 2.31   0.000% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  27.46 +/- 1.90   0.000% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   ARG+  54  25.27 +/- 2.28   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD2   ARG+  54  37.35 +/- 3.44   0.000% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  34.75 +/- 1.82   0.000% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 552 (1.86, 3.34, 43.59 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.64, residual support = 158.7:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.90 +/- 0.11  99.768% * 97.2335% (1.00  10.0 10.00   4.64 158.67) =  99.999%  kept
        T HB3   PRO   52 - HD2   ARG+  54   9.13 +/- 0.78   0.128% *  0.3649% (0.38   1.0 10.00   0.02   1.76) =   0.000%
          HB    ILE   56 - HD2   ARG+  54   9.46 +/- 0.85   0.098% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HD2   ARG+  54  20.27 +/- 1.54   0.001% *  0.8434% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD2   ARG+  54  25.92 +/- 2.63   0.000% *  0.9637% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   ARG+  54  18.80 +/- 0.98   0.001% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   ARG+  54  19.30 +/- 0.94   0.001% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  23.41 +/- 1.20   0.000% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  21.93 +/- 1.69   0.001% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  28.37 +/- 1.07   0.000% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  28.77 +/- 1.85   0.000% *  0.0938% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  27.06 +/- 1.24   0.000% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  27.37 +/- 1.84   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  35.77 +/- 1.96   0.000% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.48, residual support = 20.0:
    * O T QB    PHE   55 - HA    PHE   55   2.53 +/- 0.08  98.576% * 99.2105% (1.00  10.0 10.00   3.48  20.05) =  99.999%  kept
          HD2   ARG+  54 - HA    PHE   55   5.65 +/- 0.65   1.078% *  0.0794% (0.80   1.0  1.00   0.02   3.18) =   0.001%
          HB2   PHE   59 - HA    PHE   55   8.27 +/- 1.19   0.123% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   55   8.58 +/- 1.18   0.100% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   55   7.97 +/- 0.31   0.104% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QB    PHE   55 - HA    VAL   42  17.24 +/- 0.98   0.001% *  0.2335% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  12.28 +/- 1.06   0.009% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  13.91 +/- 1.33   0.005% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   55  21.29 +/- 2.02   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  16.45 +/- 0.44   0.001% *  0.0229% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  16.81 +/- 1.35   0.001% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  23.07 +/- 1.71   0.000% *  0.0187% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.48, residual support = 20.0:
    * O T HA    PHE   55 - QB    PHE   55   2.53 +/- 0.08  95.586% * 99.2581% (1.00  10.0 10.00   3.48  20.05) =  99.996%  kept
          HA    ALA  110 - QB    PHE   55   5.17 +/- 1.76   4.407% *  0.0861% (0.87   1.0  1.00   0.02   0.28) =   0.004%
        T HA    VAL   42 - QB    PHE   55  17.24 +/- 0.98   0.001% *  0.5620% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    PHE   55  13.08 +/- 1.20   0.006% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.52, residual support = 123.0:
    * O T HB    ILE   56 - HA    ILE   56   2.64 +/- 0.18  98.992% * 98.8500% (1.00  10.0 10.00   4.52 123.04) =  99.996%  kept
        T HB3   PRO   58 - HA    ILE   56   5.97 +/- 0.30   0.831% *  0.4812% (0.49   1.0 10.00   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HA    ILE   56   8.30 +/- 0.75   0.133% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    ILE   56  11.17 +/- 1.35   0.026% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ILE   56  13.25 +/- 1.48   0.010% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE   56  15.41 +/- 1.27   0.003% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  17.36 +/- 1.06   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  19.18 +/- 2.26   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  20.27 +/- 1.15   0.001% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  23.09 +/- 1.48   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  21.42 +/- 1.56   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  24.48 +/- 1.37   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  28.96 +/- 1.65   0.000% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 560 (1.27, 4.38, 60.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.69, residual support = 123.0:
    * O   QG2   ILE   56 - HA    ILE   56   2.97 +/- 0.30  99.929% * 98.4757% (1.00  10.0  1.00   4.69 123.04) = 100.000%  kept
          QB    ALA   91 - HA    ILE   56  11.80 +/- 1.37   0.046% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  13.19 +/- 1.28   0.018% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   56  23.75 +/- 1.72   0.001% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   56  20.52 +/- 1.30   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  19.70 +/- 1.19   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HA    ILE   56  30.19 +/- 1.77   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  20.87 +/- 1.15   0.001% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  19.62 +/- 1.39   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  21.06 +/- 2.78   0.002% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 123.0:
    * O T QG1   ILE   56 - HA    ILE   56   2.63 +/- 0.41  99.953% * 97.9351% (1.00  10.0 10.00   3.76 123.04) = 100.000%  kept
        T QD    LYS+ 106 - HA    ILE   56  14.83 +/- 1.75   0.005% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    ILE   56  10.02 +/- 1.12   0.037% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - HA    ILE   56  22.52 +/- 1.59   0.000% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HA    ILE   56  20.79 +/- 1.74   0.001% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HA    ILE   56  16.84 +/- 1.28   0.002% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    ILE   56  17.65 +/- 1.71   0.002% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.07 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.52, residual support = 123.0:
    * O T HA    ILE   56 - HB    ILE   56   2.64 +/- 0.18  99.757% * 98.4172% (1.00  10.0 10.00   4.52 123.04) =  99.999%  kept
        T HA    PRO   58 - HB    ILE   56   7.85 +/- 0.83   0.208% *  0.2736% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB    ILE   56  10.29 +/- 1.02   0.033% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  123 - HB    ILE   56  17.08 +/- 1.43   0.002% *  0.9647% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB    ILE   56  21.71 +/- 1.21   0.000% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  21.71 +/- 1.15   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  21.30 +/- 0.91   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  28.21 +/- 1.23   0.000% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  28.05 +/- 1.54   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.54, residual support = 123.0:
    * O T QG2   ILE   56 - HB    ILE   56   2.11 +/- 0.02  99.977% * 98.4757% (1.00  10.0 10.00   5.54 123.04) = 100.000%  kept
          QB    ALA   91 - HB    ILE   56   9.96 +/- 1.69   0.019% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  12.60 +/- 1.14   0.003% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  19.88 +/- 0.96   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  23.13 +/- 1.31   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HB    ILE   56  29.59 +/- 1.37   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  19.51 +/- 0.85   0.000% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  19.98 +/- 1.19   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  19.59 +/- 1.16   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  20.81 +/- 2.31   0.000% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (1.72, 1.88, 41.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 123.0:
    * O T QG1   ILE   56 - HB    ILE   56   2.32 +/- 0.13  99.854% * 98.7886% (1.00  10.0 10.00   4.53 123.04) = 100.000%  kept
          HB3   MET   92 - HB    ILE   56   7.90 +/- 1.63   0.140% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HB    ILE   56  13.34 +/- 1.47   0.004% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HB    ILE   56  20.29 +/- 1.27   0.000% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  14.85 +/- 1.72   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  16.91 +/- 1.63   0.001% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  21.75 +/- 1.18   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (1.88, 1.27, 17.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.54, residual support = 123.0:
    * O T HB    ILE   56 - QG2   ILE   56   2.11 +/- 0.02  99.632% * 98.4311% (1.00  10.0 10.00   5.54 123.04) = 100.000%  kept
          HB2   MET   92 - QG2   ILE   56   7.36 +/- 1.55   0.178% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG2   ILE   56   6.97 +/- 0.51   0.085% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE   56   7.10 +/- 0.48   0.076% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   ILE   56   9.43 +/- 1.40   0.018% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE   56  12.22 +/- 1.39   0.003% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  11.87 +/- 1.07   0.004% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE   56  14.79 +/- 1.65   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QG2   ILE   56  22.88 +/- 1.67   0.000% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  17.36 +/- 1.93   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  16.03 +/- 1.92   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  16.06 +/- 1.47   0.001% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  18.95 +/- 1.72   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.69, residual support = 123.0:
    * O T QG1   ILE   56 - QG2   ILE   56   2.18 +/- 0.17  99.375% * 98.7886% (1.00  10.0 10.00   4.69 123.04) = 100.000%  kept
          HB3   MET   92 - QG2   ILE   56   6.32 +/- 1.46   0.608% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG2   ILE   56  10.86 +/- 1.40   0.008% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QG2   ILE   56  11.54 +/- 1.83   0.006% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG2   ILE   56  16.45 +/- 1.58   0.001% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG2   ILE   56  12.87 +/- 2.17   0.003% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG2   ILE   56  17.57 +/- 1.44   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 123.0:
    * O T HA    ILE   56 - QG1   ILE   56   2.63 +/- 0.41  98.949% * 98.1263% (1.00  10.0 10.00   3.76 123.04) =  99.999%  kept
        T HA    ASP- 113 - QG1   ILE   56   8.63 +/- 0.81   0.186% *  0.6348% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QG1   ILE   56   6.31 +/- 0.96   0.853% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - QG1   ILE   56  17.84 +/- 1.30   0.001% *  0.9282% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG1   ILE   56  13.66 +/- 0.78   0.008% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG1   ILE   56  17.85 +/- 1.28   0.001% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  17.78 +/- 0.83   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QG1   ILE   56  23.81 +/- 1.32   0.000% *  0.0979% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  23.84 +/- 1.09   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.04 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 123.0:
    * O T HB    ILE   56 - QG1   ILE   56   2.32 +/- 0.13  99.502% * 98.6066% (1.00  10.0 10.00   4.53 123.04) = 100.000%  kept
        T QB    LYS+ 106 - QG1   ILE   56   9.56 +/- 1.25   0.028% *  0.7536% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG1   ILE   56   6.72 +/- 1.02   0.375% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG1   ILE   56   8.82 +/- 1.03   0.045% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG1   ILE   56   9.05 +/- 0.83   0.036% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG1   ILE   56  11.45 +/- 0.97   0.008% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  14.05 +/- 0.90   0.002% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  17.02 +/- 0.95   0.001% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  16.10 +/- 1.90   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  18.89 +/- 1.15   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  16.59 +/- 1.30   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  20.34 +/- 0.99   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  23.83 +/- 1.34   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (1.27, 1.72, 31.79 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.69, residual support = 123.0:
    * O T QG2   ILE   56 - QG1   ILE   56   2.18 +/- 0.17  99.958% * 98.4757% (1.00  10.0 10.00   4.69 123.04) = 100.000%  kept
          QB    ALA   91 - QG1   ILE   56   9.37 +/- 1.27   0.031% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG1   ILE   56  10.84 +/- 1.05   0.008% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG1   ILE   56  19.03 +/- 1.39   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QG1   ILE   56  16.65 +/- 1.03   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  16.15 +/- 0.92   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QG1   ILE   56  24.90 +/- 1.34   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  17.62 +/- 0.93   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  16.45 +/- 1.08   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  17.17 +/- 2.34   0.001% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.926, support = 6.55, residual support = 142.3:
    * O T HA    PRO   58 - HD2   PRO   58   3.79 +/- 0.00  39.824% * 97.5352% (0.95  10.0 10.00   6.70 146.52) =  97.090%  kept
          HA    ILE   56 - HD2   PRO   58   3.53 +/- 0.45  60.068% *  1.9383% (0.26   1.0  1.00   1.43   0.02) =   2.910%  kept
          HA    THR   46 - HD2   PRO   58  10.83 +/- 0.82   0.087% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   58  14.68 +/- 1.03   0.013% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   58  20.03 +/- 0.77   0.002% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HD2   PRO   58  17.26 +/- 1.07   0.004% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   58  23.37 +/- 1.10   0.001% *  0.0941% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   58  26.42 +/- 1.65   0.000% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  23.85 +/- 1.13   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  30.56 +/- 1.06   0.000% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  29.93 +/- 1.09   0.000% *  0.0243% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 6.92, residual support = 146.5:
    * O T HB2   PRO   58 - HD2   PRO   58   3.95 +/- 0.27  99.575% * 99.3830% (0.95  10.0 10.00   6.92 146.52) = 100.000%  kept
          HB2   GLN  116 - HD2   PRO   58  11.59 +/- 1.07   0.206% *  0.0563% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HD2   PRO   58  11.54 +/- 1.17   0.207% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HD2   PRO   58  18.32 +/- 0.82   0.011% *  0.0722% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HD2   PRO   58  28.65 +/- 1.28   0.001% *  0.4456% (0.42   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   58  29.78 +/- 1.14   0.001% *  0.0276% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.06 A, kept.
 
    Peak 585 (1.89, 3.81, 50.93 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 6.87, residual support = 145.3:
    * O T HB3   PRO   58 - HD2   PRO   58   3.71 +/- 0.27  85.157% * 91.8518% (0.79  10.0 10.00   6.92 146.52) =  99.162%  kept
          HB    ILE   56 - HD2   PRO   58   5.46 +/- 0.67  11.588% *  5.6989% (0.79   1.0  1.00   1.24   0.02) =   0.837%  kept
          HG2   ARG+  54 - HD2   PRO   58   7.22 +/- 1.20   3.162% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HD2   PRO   58  13.30 +/- 1.44   0.056% *  0.1061% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HD2   PRO   58  23.44 +/- 1.05   0.002% *  1.0997% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   PRO   58  15.58 +/- 0.97   0.017% *  0.0452% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   PRO   58  29.81 +/- 1.14   0.000% *  1.0402% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   58  19.26 +/- 1.03   0.005% *  0.0339% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   58  17.62 +/- 0.80   0.008% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   PRO   58  21.07 +/- 1.26   0.003% *  0.0413% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  24.61 +/- 1.00   0.001% *  0.0274% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  32.50 +/- 2.52   0.000% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.23 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.61, residual support = 146.5:
    * O T HG2   PRO   58 - HD2   PRO   58   2.91 +/- 0.00  99.816% * 98.7160% (0.95  10.0 10.00   6.61 146.52) = 100.000%  kept
        T HG3   PRO   52 - HD2   PRO   58  11.77 +/- 1.02   0.027% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HD2   PRO   58   9.05 +/- 1.21   0.155% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  19.58 +/- 0.97   0.001% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   58  23.63 +/- 1.24   0.000% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  32.53 +/- 2.55   0.000% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  24.23 +/- 1.31   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  27.02 +/- 0.93   0.000% *  0.0195% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 587 (3.81, 3.81, 50.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   58 - HD2   PRO   58  (0.89)  kept
 
    Peak 588 (4.41, 4.41, 66.06 ppm):
    1 diagonal assignment:
    *     HA    PRO   58 - HA    PRO   58  (1.00)  kept
 
    Peak 589 (2.35, 4.41, 66.06 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.26, residual support = 146.5:
    * O T HB2   PRO   58 - HA    PRO   58   2.60 +/- 0.20  99.980% * 99.2784% (1.00  10.0 10.00   6.26 146.52) = 100.000%  kept
        T HB2   GLN  116 - HA    PRO   58  12.06 +/- 1.21   0.014% *  0.5621% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    PRO   58  17.01 +/- 0.79   0.002% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    PRO   58  14.48 +/- 1.17   0.004% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  26.77 +/- 1.14   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  29.15 +/- 1.08   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 590 (1.89, 4.41, 66.06 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 6.17, residual support = 146.5:
    * O T HB3   PRO   58 - HA    PRO   58   2.43 +/- 0.20  99.822% * 98.4544% (0.84  10.0 10.00   6.17 146.52) =  99.999%  kept
        T HB    ILE   56 - HA    PRO   58   7.85 +/- 0.83   0.142% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    PRO   58  10.24 +/- 1.34   0.031% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    PRO   58  15.78 +/- 1.37   0.002% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    PRO   58  15.75 +/- 0.71   0.001% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    PRO   58  21.85 +/- 1.01   0.000% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  16.72 +/- 1.02   0.001% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  21.19 +/- 0.88   0.000% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  22.15 +/- 1.09   0.000% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  27.41 +/- 1.00   0.000% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  22.65 +/- 0.93   0.000% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  29.28 +/- 2.45   0.000% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.08, 4.41, 66.06 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 146.5:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.00  99.649% * 98.7160% (1.00  10.0 10.00   5.98 146.52) =  99.999%  kept
        T HG3   PRO   52 - HA    PRO   58  14.74 +/- 1.04   0.042% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    PRO   58  10.75 +/- 0.72   0.276% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   58  16.24 +/- 0.88   0.023% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   58  20.64 +/- 1.22   0.005% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   58  29.30 +/- 2.50   0.001% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   58  24.09 +/- 1.26   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  25.50 +/- 0.94   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.28 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.7, residual support = 146.5:
    * O T HD2   PRO   58 - HA    PRO   58   3.79 +/- 0.00  99.654% * 98.5403% (0.95  10.0 10.00   6.70 146.52) = 100.000%  kept
          HB2   CYS   53 - HA    PRO   58  10.07 +/- 0.97   0.343% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HA    PRO   58  25.75 +/- 1.08   0.001% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HA    PRO   58  26.76 +/- 0.92   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    PRO   58  24.73 +/- 0.80   0.001% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.09 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.26, residual support = 146.5:
    * O T HA    PRO   58 - HB2   PRO   58   2.60 +/- 0.20  98.957% * 99.4356% (1.00  10.0 10.00   6.26 146.52) = 100.000%  kept
          HA    ILE   56 - HB2   PRO   58   5.82 +/- 0.43   1.025% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   PRO   58  13.57 +/- 0.60   0.005% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   PRO   58  13.64 +/- 1.12   0.006% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   PRO   58  14.43 +/- 1.58   0.005% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  18.81 +/- 0.87   0.001% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   PRO   58  22.45 +/- 1.15   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  25.07 +/- 1.78   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  23.00 +/- 1.35   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  29.45 +/- 0.90   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  29.38 +/- 1.08   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.45, residual support = 146.5:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  99.973% * 98.9371% (0.84  10.0 10.00   4.45 146.52) = 100.000%  kept
          HB    ILE   56 - HB2   PRO   58   7.86 +/- 1.00   0.024% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58  10.85 +/- 1.45   0.003% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  16.37 +/- 1.41   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  16.20 +/- 1.28   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   58  23.60 +/- 1.06   0.000% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  16.94 +/- 1.68   0.000% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  23.84 +/- 0.93   0.000% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  22.12 +/- 0.99   0.000% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  28.60 +/- 1.11   0.000% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  24.34 +/- 0.80   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  31.07 +/- 2.39   0.000% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (2.08, 2.35, 31.07 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.27, residual support = 146.5:
    * O T HG2   PRO   58 - HB2   PRO   58   2.50 +/- 0.30  99.982% * 98.7160% (1.00  10.0 10.00   4.27 146.52) = 100.000%  kept
        T HG3   PRO   52 - HB2   PRO   58  15.26 +/- 1.05   0.003% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   PRO   58  11.49 +/- 0.96   0.013% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  17.15 +/- 1.17   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   58  22.66 +/- 1.21   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  31.06 +/- 2.41   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  26.04 +/- 1.18   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  27.19 +/- 0.85   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.03 A, kept.
 
    Peak 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.92, residual support = 146.5:
    * O T HD2   PRO   58 - HB2   PRO   58   3.95 +/- 0.27  99.775% * 98.5403% (0.95  10.0 10.00   6.92 146.52) = 100.000%  kept
          HB2   CYS   53 - HB2   PRO   58  11.22 +/- 0.92   0.221% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB2   PRO   58  26.89 +/- 1.35   0.001% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB2   PRO   58  28.09 +/- 1.06   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   PRO   58  26.34 +/- 0.86   0.001% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.15 A, kept.
 
    Peak 598 (4.41, 1.89, 31.07 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 6.17, residual support = 146.5:
    * O T HA    PRO   58 - HB3   PRO   58   2.43 +/- 0.20  99.427% * 99.1888% (0.84  10.0 10.00   6.17 146.52) =  99.998%  kept
        T HA    ILE   56 - HB3   PRO   58   5.97 +/- 0.30   0.562% *  0.2758% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HA    THR   46 - HB3   PRO   58  13.60 +/- 0.66   0.004% *  0.0602% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   PRO   58  13.59 +/- 1.18   0.004% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   PRO   58  15.02 +/- 1.21   0.003% *  0.0372% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  18.87 +/- 0.90   0.001% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  22.89 +/- 1.04   0.000% *  0.0957% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  25.07 +/- 1.97   0.000% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  23.49 +/- 0.87   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  29.76 +/- 0.86   0.000% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  29.74 +/- 0.94   0.000% *  0.0247% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.45, residual support = 146.5:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  99.998% * 99.1367% (0.84  10.0 10.00   4.45 146.52) = 100.000%  kept
          HB2   GLN  116 - HB3   PRO   58  11.18 +/- 1.48   0.002% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PHE   97 - HB3   PRO   58  18.25 +/- 0.82   0.000% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   PRO   58  15.05 +/- 1.13   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  28.24 +/- 1.09   0.000% *  0.0444% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  31.35 +/- 1.11   0.000% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.18, residual support = 146.5:
    * O T HG2   PRO   58 - HB3   PRO   58   2.76 +/- 0.30  99.971% * 97.0168% (0.84  10.0 10.00   4.18 146.52) = 100.000%  kept
        T HG3   PRO   52 - HB3   PRO   58  15.27 +/- 1.00   0.004% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   PRO   58  11.74 +/- 0.89   0.022% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HB3   PRO   58  22.64 +/- 1.30   0.000% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   PRO   58  30.99 +/- 2.73   0.000% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  17.41 +/- 1.07   0.002% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  26.14 +/- 1.28   0.000% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  27.38 +/- 0.87   0.000% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.39 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 6.92, residual support = 146.5:
    * O T HD2   PRO   58 - HB3   PRO   58   3.71 +/- 0.27  99.837% * 98.5403% (0.79  10.0 10.00   6.92 146.52) = 100.000%  kept
          HB2   CYS   53 - HB3   PRO   58  11.10 +/- 0.93   0.161% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB3   PRO   58  27.36 +/- 1.02   0.001% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB3   PRO   58  28.48 +/- 0.95   0.001% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   PRO   58  26.54 +/- 0.81   0.001% *  0.1021% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.11 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.995, support = 5.95, residual support = 145.8:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.00  41.030% * 97.9061% (1.00  10.0 10.00   5.98 146.52) =  99.537%  kept
          HA    ILE   56 - HG2   PRO   58   3.77 +/- 0.37  57.596% *  0.3228% (0.28   1.0  1.00   0.24   0.02) =   0.461%
          HA    THR   46 - HG3   PRO   52   7.82 +/- 1.22   1.129% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HA    PRO   58 - HG3   PRO   52  14.74 +/- 1.04   0.017% *  0.7926% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG3   PRO   52  10.32 +/- 0.85   0.151% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HG2   PRO   58  12.77 +/- 0.71   0.038% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG2   PRO   58  15.20 +/- 1.01   0.015% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   PRO   58  15.05 +/- 1.11   0.015% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   PRO   58  20.30 +/- 0.74   0.002% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   PRO   58  22.91 +/- 1.14   0.001% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  21.71 +/- 1.48   0.002% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   PRO   58  26.73 +/- 1.60   0.000% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  26.15 +/- 1.34   0.001% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   52  26.23 +/- 1.19   0.001% *  0.0765% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   PRO   52  25.14 +/- 1.35   0.001% *  0.0297% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  23.25 +/- 1.17   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  32.53 +/- 1.75   0.000% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  30.40 +/- 0.93   0.000% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  26.13 +/- 1.26   0.001% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  29.88 +/- 1.08   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  33.98 +/- 1.30   0.000% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  31.37 +/- 1.28   0.000% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.35 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.593, support = 5.07, residual support = 182.1:
    * O T HB2   PRO   58 - HG2   PRO   58   2.50 +/- 0.30  12.570% * 87.8577% (1.00  10.0 10.00   4.27 146.52) =  53.512%  kept
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  87.423% * 10.9746% (0.12  10.0 10.00   5.99 223.05) =  46.488%  kept
          HB2   GLN  116 - HG2   PRO   58   9.32 +/- 1.38   0.006% *  0.0497% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  15.26 +/- 1.05   0.000% *  0.7113% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  13.30 +/- 1.13   0.001% *  0.1356% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   PRO   58  17.56 +/- 1.05   0.000% *  0.0638% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG3   PRO   52  16.80 +/- 1.26   0.000% *  0.0403% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  20.55 +/- 1.25   0.000% *  0.0516% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  28.00 +/- 1.35   0.000% *  0.0394% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  26.63 +/- 1.68   0.000% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  30.52 +/- 1.49   0.000% *  0.0319% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  31.43 +/- 0.96   0.000% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 605 (1.89, 2.08, 28.60 ppm):
    24 chemical-shift based assignments, quality = 0.835, support = 4.18, residual support = 146.5:
    * O T HB3   PRO   58 - HG2   PRO   58   2.76 +/- 0.30  80.314% * 96.9979% (0.84  10.0 10.00   4.18 146.52) =  99.977%  kept
          HB2   MET   92 - HG3   PRO   52   4.61 +/- 1.29  16.526% *  0.0907% (0.78   1.0  1.00   0.02   0.02) =   0.019%
          HB    ILE   56 - HG2   PRO   58   5.88 +/- 0.93   2.711% *  0.0970% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE   56 - HG3   PRO   52   8.65 +/- 1.66   0.174% *  0.0785% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG3   PRO   52  15.27 +/- 1.00   0.003% *  0.7853% (0.68   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  14.01 +/- 1.23   0.006% *  0.3528% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.50 +/- 0.59   0.113% *  0.0145% (0.12   1.0  1.00   0.02   1.76) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  10.10 +/- 1.40   0.055% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   9.78 +/- 1.17   0.078% *  0.0179% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   PRO   58  14.60 +/- 1.42   0.006% *  0.1121% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  14.06 +/- 1.01   0.005% *  0.0387% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   PRO   58  15.31 +/- 1.16   0.004% *  0.0477% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  22.86 +/- 1.10   0.000% *  0.4358% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.50 +/- 1.09   0.002% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  24.29 +/- 0.95   0.000% *  0.1161% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  20.69 +/- 1.13   0.001% *  0.0358% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  23.96 +/- 1.31   0.000% *  0.0940% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  19.83 +/- 1.20   0.001% *  0.0165% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  29.28 +/- 1.14   0.000% *  0.1099% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  32.83 +/- 2.33   0.000% *  0.2034% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  25.06 +/- 0.80   0.000% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  32.91 +/- 1.24   0.000% *  0.0889% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  26.39 +/- 1.20   0.000% *  0.0234% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  38.83 +/- 2.66   0.000% *  0.1646% (0.14   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.37 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 = 6.61, residual support = 146.5:
    * O T HD2   PRO   58 - HG2   PRO   58   2.91 +/- 0.00  97.887% * 98.7117% (0.95  10.0 10.00   6.61 146.52) =  99.999%  kept
          HB2   CYS   53 - HG3   PRO   52   6.11 +/- 0.93   2.022% *  0.0288% (0.28   1.0  1.00   0.02  52.41) =   0.001%
        T HD2   PRO   58 - HG3   PRO   52  11.77 +/- 1.02   0.026% *  0.7991% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   PRO   58  10.11 +/- 0.80   0.063% *  0.0356% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   52  18.43 +/- 1.30   0.002% *  0.0828% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  25.67 +/- 0.98   0.000% *  0.1023% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  27.18 +/- 1.25   0.000% *  0.1034% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  29.17 +/- 1.28   0.000% *  0.0837% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  28.70 +/- 1.09   0.000% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  31.43 +/- 1.26   0.000% *  0.0235% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 608 (4.35, 4.35, 60.90 ppm):
    1 diagonal assignment:
    *     HA    PHE   59 - HA    PHE   59  (1.00)  kept
 
    Peak 609 (3.32, 4.35, 60.90 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.29, residual support = 58.5:
    * O T HB2   PHE   59 - HA    PHE   59   2.75 +/- 0.33  99.823% * 99.6348% (1.00  10.0 10.00   3.29  58.47) = 100.000%  kept
          QB    PHE   55 - HA    PHE   59   9.16 +/- 0.61   0.092% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   59  11.68 +/- 1.53   0.037% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   59  12.68 +/- 1.09   0.016% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   59  11.87 +/- 0.56   0.020% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    PHE   59  13.41 +/- 1.38   0.012% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 610 (3.16, 4.35, 60.90 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 58.5:
    * O T HB3   PHE   59 - HA    PHE   59   2.74 +/- 0.22  99.999% * 99.9552% (1.00  10.0 10.00   3.98  58.47) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  19.69 +/- 1.94   0.001% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (4.35, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.29, residual support = 58.5:
    * O T HA    PHE   59 - HB2   PHE   59   2.75 +/- 0.33  99.934% * 99.8386% (1.00  10.0 10.00   3.29  58.47) = 100.000%  kept
          HA    ASP- 113 - HB2   PHE   59   9.59 +/- 1.01   0.063% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   PHE   59  19.48 +/- 1.34   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  19.24 +/- 1.30   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  26.15 +/- 1.34   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 612 (3.32, 3.32, 39.73 ppm):
    1 diagonal assignment:
    *     HB2   PHE   59 - HB2   PHE   59  (1.00)  kept
 
    Peak 613 (3.16, 3.32, 39.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.5:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00 100.000% * 99.9552% (1.00  10.0 10.00   3.44  58.47) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  17.96 +/- 2.07   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (4.35, 3.16, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 58.5:
    * O T HA    PHE   59 - HB3   PHE   59   2.74 +/- 0.22  99.931% * 99.8386% (1.00  10.0 10.00   3.98  58.47) = 100.000%  kept
          HA    ASP- 113 - HB3   PHE   59   9.48 +/- 0.84   0.067% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   PHE   59  19.49 +/- 1.11   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  19.22 +/- 1.36   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  26.16 +/- 1.31   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (3.32, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.5:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  99.967% * 99.6348% (1.00  10.0 10.00   3.44  58.47) = 100.000%  kept
          QB    PHE   55 - HB3   PHE   59   7.20 +/- 0.73   0.026% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HB3   PHE   59  10.40 +/- 1.11   0.003% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB3   PHE   59  10.22 +/- 0.81   0.003% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  13.63 +/- 1.76   0.001% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  12.27 +/- 1.27   0.001% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 71.9:
    * O T HB2   PHE   60 - HA    PHE   60   2.93 +/- 0.12  99.995% * 99.9010% (1.00  10.0 10.00   4.00  71.95) = 100.000%  kept
          HB2   TRP   87 - HA    PHE   60  15.52 +/- 0.81   0.005% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 619 (2.97, 3.92, 62.21 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.9:
    * O T HB3   PHE   60 - HA    PHE   60   2.59 +/- 0.29  99.969% * 99.7797% (1.00  10.0 10.00   4.00  71.95) = 100.000%  kept
          HB2   PHE   97 - HA    PHE   60  11.04 +/- 0.65   0.019% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    PHE   60  12.60 +/- 1.04   0.009% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   60  15.53 +/- 0.84   0.003% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    PHE   60  23.14 +/- 1.42   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 620 (3.92, 3.40, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.9:
    * O T HA    PHE   60 - HB2   PHE   60   2.93 +/- 0.12  99.904% * 99.8400% (1.00  10.0 10.00   4.00  71.95) = 100.000%  kept
          HB    THR   94 - HB2   PHE   60  10.59 +/- 0.57   0.048% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   60  12.85 +/- 0.74   0.015% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   60  12.93 +/- 0.90   0.015% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   PHE   60  13.51 +/- 1.19   0.013% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  16.12 +/- 0.98   0.004% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 71.9:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  99.999% * 99.7797% (1.00  10.0 10.00   4.00  71.95) = 100.000%  kept
          QE    LYS+ 106 - HB2   PHE   60  13.92 +/- 0.90   0.000% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HB2   PHE   60  13.38 +/- 0.74   0.001% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  16.00 +/- 1.12   0.000% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  24.98 +/- 1.56   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 623 (3.92, 2.97, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.9:
    * O T HA    PHE   60 - HB3   PHE   60   2.59 +/- 0.29  99.943% * 99.8400% (1.00  10.0 10.00   4.00  71.95) = 100.000%  kept
          HB    THR   94 - HB3   PHE   60   9.99 +/- 1.06   0.032% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB3   PHE   60  12.84 +/- 1.06   0.008% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   PHE   60  13.63 +/- 0.96   0.006% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   PHE   60  13.53 +/- 1.28   0.009% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  15.82 +/- 1.11   0.002% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 624 (3.40, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.9:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  71.95) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  15.45 +/- 1.40   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 18.0:
    * O T QB    ALA   61 - HA    ALA   61   2.14 +/- 0.01  99.885% * 98.4786% (1.00  10.0 10.00   2.21  18.01) = 100.000%  kept
          QG    LYS+  66 - HA    ALA   61   7.68 +/- 0.85   0.058% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  110 - HA    ALA   61  12.47 +/- 1.91   0.003% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA   61   9.26 +/- 0.93   0.019% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA   61  11.26 +/- 1.14   0.006% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   61   9.87 +/- 1.37   0.018% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA   61  12.00 +/- 0.76   0.003% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  11.53 +/- 1.39   0.005% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   61  17.81 +/- 1.44   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  15.98 +/- 1.80   0.001% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA   61  14.41 +/- 0.84   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  18.65 +/- 1.03   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  24.15 +/- 1.30   0.000% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (3.74, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 18.0:
    * O T HA    ALA   61 - QB    ALA   61   2.14 +/- 0.01  99.587% * 98.9510% (1.00  10.0 10.00   2.21  18.01) = 100.000%  kept
          HD3   PRO   58 - QB    ALA   61   5.93 +/- 0.34   0.236% *  0.0444% (0.45   1.0  1.00   0.02   1.00) =   0.000%
          HD3   PRO   58 - QB    ALA  110   7.35 +/- 2.70   0.161% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   61 - QB    ALA  110  12.47 +/- 1.91   0.003% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA   61  10.45 +/- 0.74   0.008% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   61  12.37 +/- 1.01   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  18.30 +/- 1.91   0.000% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  14.43 +/- 1.29   0.001% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  16.99 +/- 1.01   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  18.30 +/- 0.91   0.000% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.63 +/- 0.22  99.999% * 99.9434% (1.00  10.0 10.00   3.00  41.03) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  17.49 +/- 0.87   0.001% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.96 +/- 0.15  99.998% * 99.7306% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HG3   MET   96 - HA    ASP-  62  18.43 +/- 0.61   0.002% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    ASP-  62  25.77 +/- 0.77   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  27.17 +/- 2.13   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  27.13 +/- 1.22   0.000% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.06 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   2.63 +/- 0.22  99.982% * 99.8236% (1.00  10.0 10.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB2   ASP-  62  12.07 +/- 1.32   0.018% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB2   ASP-  62  23.73 +/- 0.97   0.000% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB2   ASP-  62  28.19 +/- 0.60   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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% * 99.7306% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  62  17.96 +/- 0.94   0.000% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  25.56 +/- 0.78   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  28.44 +/- 1.90   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  28.25 +/- 1.22   0.000% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 636 (4.22, 2.45, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HA    ASP-  62 - HB3   ASP-  62   2.96 +/- 0.15  99.966% * 99.8236% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB3   ASP-  62  11.71 +/- 1.13   0.033% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB3   ASP-  62  23.18 +/- 0.97   0.000% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   ASP-  62  27.37 +/- 0.88   0.000% *  0.0278% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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% * 99.4370% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
        T HB2   PRO   52 - HB3   ASP-  62  15.40 +/- 1.16   0.000% *  0.5630% (0.55   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 240.5:
    * O T HB2   LEU   63 - HA    LEU   63   2.91 +/- 0.09  99.811% * 99.1997% (1.00  10.0 10.00   6.28 240.48) = 100.000%  kept
          HB3   ASP-  44 - HA    LEU   63   9.86 +/- 0.84   0.076% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   63  10.45 +/- 1.16   0.063% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   63  12.58 +/- 1.04   0.019% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   63  14.38 +/- 1.07   0.008% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  15.24 +/- 0.99   0.005% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   63  16.81 +/- 1.64   0.003% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  14.18 +/- 1.54   0.010% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   63  18.14 +/- 0.79   0.002% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   63  21.01 +/- 0.97   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LEU   63  20.72 +/- 0.67   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  21.19 +/- 1.32   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  18.86 +/- 1.03   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (0.88, 3.50, 57.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.5:
    * O T HB3   LEU   63 - HA    LEU   63   2.61 +/- 0.22  96.616% * 99.7424% (1.00  10.0 10.00   5.98 240.48) =  99.999%  kept
          QD1   LEU   71 - HA    LEU   63  10.20 +/- 2.66   1.634% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HA    LEU   63   6.10 +/- 1.34   1.141% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HA    LEU   63   6.62 +/- 1.22   0.563% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU   63  10.04 +/- 0.89   0.042% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    LEU   63  14.59 +/- 0.92   0.004% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 642 (1.06, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.5:
    * O T HG    LEU   63 - HA    LEU   63   2.74 +/- 0.52  99.684% * 99.8120% (1.00  10.0 10.00   5.98 240.48) = 100.000%  kept
          QG1   VAL  107 - HA    LEU   63   8.19 +/- 1.04   0.306% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU   63  15.21 +/- 1.87   0.009% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LEU   63  19.45 +/- 0.67   0.001% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.06 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.658, support = 5.58, residual support = 240.5:
        T QD2   LEU   63 - HA    LEU   63   2.56 +/- 0.31  86.615% * 35.7505% (0.57 10.00   5.56 240.48) =  78.844%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.73 +/- 0.45  13.158% * 63.1462% (1.00 10.00   5.64 240.48) =  21.156%  kept
          QD2   LEU  115 - HA    LEU   63   7.75 +/- 1.16   0.196% *  0.0527% (0.84  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HA    LEU   63  10.97 +/- 1.15   0.021% *  0.3575% (0.57 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.42 +/- 0.65   0.008% *  0.6315% (1.00 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  16.56 +/- 0.76   0.001% *  0.0506% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   63  19.07 +/- 1.26   0.001% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.04 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.966, support = 5.57, residual support = 240.5:
    *   T QD2   LEU   63 - HA    LEU   63   2.56 +/- 0.31  86.620% * 63.5438% (1.00 10.00   5.56 240.48) =  92.081%  kept
        T QD1   LEU   63 - HA    LEU   63   3.73 +/- 0.45  13.159% * 35.9756% (0.57 10.00   5.64 240.48) =   7.919%  kept
          QD2   LEU  115 - HA    LEU   63   7.75 +/- 1.16   0.196% *  0.0158% (0.25  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.42 +/- 0.65   0.008% *  0.3598% (0.57 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   63  12.54 +/- 0.80   0.008% *  0.0385% (0.61  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    LEU   63  12.71 +/- 1.12   0.008% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  17.78 +/- 1.03   0.001% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  16.56 +/- 0.76   0.001% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.04 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 240.5:
    * O T HA    LEU   63 - HB2   LEU   63   2.91 +/- 0.09  99.998% * 99.2046% (1.00  10.0 10.00   6.28 240.48) = 100.000%  kept
        T HB2   HIS   22 - HB2   LEU   63  21.32 +/- 1.10   0.001% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB2   LEU   63  19.63 +/- 0.76   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 240.5:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  99.897% * 99.7424% (1.00  10.0 10.00   6.31 240.48) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU   63   7.34 +/- 1.50   0.036% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU   63  10.04 +/- 2.35   0.032% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU   63   8.51 +/- 1.01   0.012% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   63   7.81 +/- 1.26   0.022% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   63  12.84 +/- 0.78   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 648 (1.06, 1.34, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.5:
    * O T HG    LEU   63 - HB2   LEU   63   2.62 +/- 0.15  99.637% * 99.8120% (1.00  10.0 10.00   6.31 240.48) = 100.000%  kept
          QG1   VAL  107 - HB2   LEU   63   7.11 +/- 0.91   0.355% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   LEU   63  14.15 +/- 2.14   0.007% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LEU   63  17.72 +/- 0.81   0.001% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 649 (0.58, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.97, support = 6.18, residual support = 240.5:
    * O T QD1   LEU   63 - HB2   LEU   63   2.18 +/- 0.18  88.289% * 63.1462% (1.00  10.0 10.00   6.19 240.48) =  93.110%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.13 +/- 0.17  11.540% * 35.7505% (0.57  10.0 10.00   6.07 240.48) =   6.890%  kept
          QD2   LEU  115 - HB2   LEU   63   7.11 +/- 1.29   0.158% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  11.16 +/- 0.84   0.006% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   63  11.27 +/- 1.04   0.005% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  14.62 +/- 0.92   0.001% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  17.21 +/- 1.29   0.000% *  0.0111% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.57, 1.34, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.648, support = 6.17, residual support = 240.5:
      O T QD1   LEU   63 - HB2   LEU   63   2.18 +/- 0.18  88.286% * 35.9756% (0.57  10.0 10.00   6.19 240.48) =  81.243%  kept
    * O T QD2   LEU   63 - HB2   LEU   63   3.13 +/- 0.17  11.540% * 63.5438% (1.00  10.0 10.00   6.07 240.48) =  18.757%  kept
          QD2   LEU  115 - HB2   LEU   63   7.11 +/- 1.29   0.158% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  11.16 +/- 0.84   0.006% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   LEU   63  11.79 +/- 0.88   0.004% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   LEU   63  11.76 +/- 1.27   0.004% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  15.76 +/- 1.13   0.001% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  14.62 +/- 0.92   0.001% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 651 (3.50, 0.88, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.5:
    * O T HA    LEU   63 - HB3   LEU   63   2.61 +/- 0.22  99.999% * 99.8862% (1.00  10.0 10.00   5.98 240.48) = 100.000%  kept
          HA2   GLY  101 - HB3   LEU   63  18.32 +/- 0.82   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LEU   63  21.27 +/- 1.49   0.000% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (1.34, 0.88, 41.55 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.5:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  99.975% * 99.1997% (1.00  10.0 10.00   6.31 240.48) = 100.000%  kept
          HB3   ASP-  44 - HB3   LEU   63   7.75 +/- 1.13   0.019% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  11.83 +/- 1.37   0.002% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   63  11.17 +/- 0.98   0.002% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  12.44 +/- 1.12   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  14.29 +/- 1.12   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  16.02 +/- 1.83   0.000% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  12.57 +/- 1.36   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  16.28 +/- 0.96   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  18.74 +/- 1.26   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  18.72 +/- 1.04   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  20.15 +/- 1.47   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  17.12 +/- 0.97   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 240.5:
    * O T HG    LEU   63 - HB3   LEU   63   2.95 +/- 0.15  99.288% * 99.8120% (1.00  10.0 10.00   6.00 240.48) = 100.000%  kept
          QG1   VAL  107 - HB3   LEU   63   7.34 +/- 1.15   0.700% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU   63  15.29 +/- 2.08   0.009% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   LEU   63  17.54 +/- 1.08   0.002% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.07 A, kept.
 
    Peak 655 (0.58, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.755, support = 5.82, residual support = 240.5:
      O T QD2   LEU   63 - HB3   LEU   63   2.25 +/- 0.26  69.458% * 35.7505% (0.57  10.0 10.00   5.77 240.48) =  56.359%  kept
    * O T QD1   LEU   63 - HB3   LEU   63   2.62 +/- 0.19  30.449% * 63.1462% (1.00  10.0 10.00   5.89 240.48) =  43.640%  kept
        T QD1   LEU  104 - HB3   LEU   63  10.14 +/- 1.06   0.013% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU   63  10.71 +/- 1.14   0.007% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   63   7.86 +/- 1.31   0.071% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  14.69 +/- 1.22   0.001% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  17.13 +/- 1.43   0.000% *  0.0111% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.914, support = 5.8, residual support = 240.5:
    * O T QD2   LEU   63 - HB3   LEU   63   2.25 +/- 0.26  69.456% * 63.5438% (1.00  10.0 10.00   5.77 240.48) =  80.114%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.62 +/- 0.19  30.452% * 35.9756% (0.57  10.0 10.00   5.89 240.48) =  19.886%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.71 +/- 1.14   0.007% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   63   7.86 +/- 1.31   0.071% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   63  10.89 +/- 1.05   0.006% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   63  10.99 +/- 1.35   0.007% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  15.96 +/- 1.34   0.001% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  14.69 +/- 1.22   0.001% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 657 (3.50, 1.06, 26.21 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.5:
    * O T HA    LEU   63 - HG    LEU   63   2.74 +/- 0.52  99.998% * 99.8862% (1.00  10.0 10.00   5.98 240.48) = 100.000%  kept
          HB2   HIS   22 - HG    LEU   63  22.62 +/- 1.54   0.001% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HG    LEU   63  19.28 +/- 1.03   0.002% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 658 (1.34, 1.06, 26.21 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.5:
    * O T HB2   LEU   63 - HG    LEU   63   2.62 +/- 0.15  99.727% * 99.1997% (1.00  10.0 10.00   6.31 240.48) = 100.000%  kept
          HB3   ASP-  44 - HG    LEU   63   8.42 +/- 1.44   0.160% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   63  11.46 +/- 1.45   0.046% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   63  10.60 +/- 1.36   0.033% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG    LEU   63  13.29 +/- 1.45   0.008% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   63  14.81 +/- 1.72   0.004% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  12.50 +/- 1.53   0.013% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  15.21 +/- 1.33   0.003% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   63  16.61 +/- 1.19   0.002% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   63  19.57 +/- 1.61   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG    LEU   63  20.07 +/- 1.34   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  17.12 +/- 1.28   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  21.42 +/- 1.37   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 659 (0.88, 1.06, 26.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 240.5:
    * O T HB3   LEU   63 - HG    LEU   63   2.95 +/- 0.15  93.431% * 99.7424% (1.00  10.0 10.00   6.00 240.48) =  99.997%  kept
          QD1   LEU   71 - HG    LEU   63  10.29 +/- 3.12   3.763% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - HG    LEU   63   7.24 +/- 1.48   1.303% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HG    LEU   63   6.64 +/- 1.34   1.344% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU   63   9.84 +/- 1.44   0.143% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HG    LEU   63  12.79 +/- 1.07   0.016% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.843, support = 5.59, residual support = 240.5:
    * O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.869% * 63.0834% (1.00  10.0 10.00   5.62 240.48) =  63.790%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.02  50.000% * 35.7149% (0.57  10.0 10.00   5.54 240.48) =  36.210%  kept
          QD2   LEU  115 - HG    LEU   63   6.62 +/- 1.37   0.124% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HG    LEU   63  10.59 +/- 1.15   0.004% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  11.89 +/- 1.22   0.002% *  0.6308% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  15.53 +/- 1.04   0.000% *  0.0505% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   83 - HG    LEU   63  17.89 +/- 1.52   0.000% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.57, 1.06, 26.21 ppm):
    8 chemical-shift based assignments, quality = 0.843, support = 5.57, residual support = 240.5:
    * O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.02  50.000% * 63.5438% (1.00  10.0 10.00   5.54 240.48) =  63.911%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.869% * 35.9756% (0.57  10.0 10.00   5.62 240.48) =  36.089%  kept
          QD2   LEU  115 - HG    LEU   63   6.62 +/- 1.37   0.124% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  11.89 +/- 1.22   0.002% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HG    LEU   63  12.01 +/- 1.17   0.002% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  11.80 +/- 1.05   0.002% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  16.75 +/- 1.34   0.000% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  15.53 +/- 1.04   0.000% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (3.50, 0.58, 26.34 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 240.5:
    *   T HA    LEU   63 - QD1   LEU   63   3.73 +/- 0.45  94.354% * 98.5216% (1.00 10.00   5.64 240.48) =  99.997%  kept
        T HA    LEU   63 - QD1   LEU   73  12.42 +/- 0.65   0.079% *  0.9852% (1.00 10.00   0.02   0.02) =   0.001%
          HB2   HIS   22 - QD1   LEU   73   8.63 +/- 0.76   0.844% *  0.0753% (0.76  1.00   0.02   0.02) =   0.001%
        T HA    LEU   63 - QD1   LEU  104  10.97 +/- 1.15   0.216% *  0.2412% (0.24 10.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU  104   6.97 +/- 1.11   4.248% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   73  11.74 +/- 2.02   0.222% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   63  15.40 +/- 1.02   0.024% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU   63  18.08 +/- 1.10   0.009% *  0.0753% (0.76  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU  104  20.65 +/- 1.52   0.004% *  0.0184% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.08 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 240.5:
    * O T HB2   LEU   63 - QD1   LEU   63   2.18 +/- 0.18  95.022% * 95.2053% (1.00  10.0 10.00   6.19 240.48) =  99.998%  kept
          HB3   ASP-  44 - QD1   LEU   63   5.64 +/- 1.30   0.742% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD1   LEU  104   4.02 +/- 0.29   2.923% *  0.0132% (0.14   1.0  1.00   0.02  17.12) =   0.000%
        T HB3   LEU   80 - QD1   LEU   73   8.56 +/- 0.69   0.032% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU   73   6.19 +/- 0.67   0.245% *  0.0854% (0.90   1.0  1.00   0.02   1.37) =   0.000%
          HG    LEU   98 - QD1   LEU   73   7.47 +/- 1.29   0.142% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.04 +/- 1.08   0.478% *  0.0187% (0.20   1.0  1.00   0.02   8.93) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   7.45 +/- 1.19   0.109% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU   73  11.16 +/- 0.84   0.007% *  0.9521% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   73   7.61 +/- 0.76   0.068% *  0.0933% (0.98   1.0  1.00   0.02   6.66) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.51 +/- 1.39   0.021% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU  104  11.27 +/- 1.04   0.006% *  0.2330% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  10.05 +/- 1.32   0.015% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU   63  14.92 +/- 1.32   0.001% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73   9.72 +/- 0.56   0.015% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   63  11.19 +/- 1.44   0.008% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   9.14 +/- 1.28   0.024% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   73  11.46 +/- 1.02   0.006% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.33 +/- 0.50   0.081% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  12.53 +/- 1.07   0.003% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  10.50 +/- 1.17   0.010% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   63  12.52 +/- 1.21   0.004% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  12.34 +/- 0.60   0.003% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  13.22 +/- 0.66   0.002% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104  10.79 +/- 1.13   0.009% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU  104  17.89 +/- 1.18   0.000% *  0.2284% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  12.46 +/- 1.09   0.004% *  0.0228% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU  104  12.74 +/- 1.07   0.003% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU   63  15.87 +/- 1.07   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  12.29 +/- 0.50   0.003% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.42 +/- 0.72   0.003% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.96 +/- 1.35   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  12.90 +/- 1.14   0.003% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  19.03 +/- 1.60   0.000% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  17.75 +/- 1.15   0.000% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  15.37 +/- 0.94   0.001% *  0.0160% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  16.29 +/- 1.98   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.43 +/- 0.97   0.001% *  0.0151% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  13.91 +/- 1.15   0.002% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.88, residual support = 240.5:
    * O T HB3   LEU   63 - QD1   LEU   63   2.62 +/- 0.19  75.477% * 98.2083% (1.00  10.0 10.00   5.89 240.48) =  99.988%  kept
          QD1   LEU   71 - QD1   LEU   73   4.75 +/- 1.75  13.803% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.006%
          QD1   LEU   71 - QD1   LEU   63   8.57 +/- 2.49   5.455% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD1   LEU   63   6.40 +/- 1.32   2.818% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU   63   6.40 +/- 1.08   0.724% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   73   6.08 +/- 0.32   0.519% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  10.71 +/- 1.14   0.021% *  0.9821% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   63   7.80 +/- 1.03   0.156% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   7.95 +/- 0.94   0.168% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104  10.14 +/- 1.06   0.033% *  0.2404% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU  104   6.63 +/- 1.16   0.467% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   63   9.34 +/- 1.00   0.044% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   8.58 +/- 1.69   0.251% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   73  12.56 +/- 0.74   0.007% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104   9.60 +/- 1.16   0.040% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  12.25 +/- 0.48   0.008% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  14.46 +/- 1.28   0.003% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  13.16 +/- 1.08   0.005% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.02 A, kept.
 
    Peak 666 (1.06, 0.58, 26.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 240.5:
    * O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  97.679% * 96.2195% (1.00  10.0 10.00   5.62 240.48) =  99.996%  kept
        T QG1   VAL  107 - QD1   LEU   63   4.37 +/- 0.93   2.180% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.003%
        T QG2   VAL   24 - QD1   LEU   73   6.74 +/- 0.33   0.095% *  0.9286% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   63 - QD1   LEU   73  11.89 +/- 1.22   0.004% *  0.9622% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  10.59 +/- 1.15   0.008% *  0.2355% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD1   LEU   63  14.32 +/- 0.85   0.001% *  0.9286% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU  104   8.77 +/- 0.60   0.021% *  0.0363% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU   73  11.60 +/- 0.58   0.004% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.98 +/- 1.29   0.007% *  0.0735% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD1   LEU  104  14.60 +/- 1.11   0.001% *  0.2273% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  20.70 +/- 1.57   0.000% *  0.0735% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  18.73 +/- 1.29   0.000% *  0.0180% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.56, residual support = 240.5:
    *   T HA    LEU   63 - QD2   LEU   63   2.56 +/- 0.31  99.995% * 99.8862% (1.00 10.00   5.56 240.48) = 100.000%  kept
          HA2   GLY  101 - QD2   LEU   63  14.57 +/- 0.98   0.004% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD2   LEU   63  18.74 +/- 1.24   0.001% *  0.0763% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.06 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 240.5:
    * O T HB2   LEU   63 - QD2   LEU   63   3.13 +/- 0.17  97.953% * 98.3391% (1.00  10.0 10.00   6.07 240.48) =  99.998%  kept
          HB3   ASP-  44 - QD2   LEU   63   7.38 +/- 1.08   0.915% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD2   LEU   63   8.90 +/- 1.17   0.495% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   63   9.85 +/- 1.34   0.164% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   63   9.73 +/- 1.16   0.152% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD2   LEU   63  16.29 +/- 1.17   0.006% *  0.9639% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   63  11.07 +/- 1.24   0.066% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   63   9.51 +/- 1.37   0.179% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   63  12.74 +/- 1.43   0.031% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   63  13.95 +/- 0.91   0.014% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD2   LEU   63  15.74 +/- 1.07   0.007% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   63  16.40 +/- 1.37   0.006% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   63  14.15 +/- 1.06   0.013% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.77, residual support = 240.5:
    * O T HB3   LEU   63 - QD2   LEU   63   2.25 +/- 0.26  83.644% * 99.7424% (1.00  10.0 10.00   5.77 240.48) =  99.993%  kept
          QD1   LEU   71 - QD2   LEU   63   7.84 +/- 2.75  12.568% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   70 - QD2   LEU   63   4.86 +/- 1.09   2.558% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD2   LEU   63   5.25 +/- 1.17   1.168% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD2   LEU   63   8.52 +/- 1.06   0.051% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU   63  10.76 +/- 1.03   0.011% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.02 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.54, residual support = 240.5:
    * O T HG    LEU   63 - QD2   LEU   63   2.10 +/- 0.02  99.369% * 98.8183% (1.00  10.0 10.00   5.54 240.48) =  99.999%  kept
        T QG1   VAL  107 - QD2   LEU   63   5.37 +/- 1.10   0.627% *  0.1525% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   VAL   24 - QD2   LEU   63  15.03 +/- 0.71   0.001% *  0.9537% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU   63  12.57 +/- 1.32   0.003% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.12 +/- 0.01  99.999% * 99.9825% (1.00  10.0 10.00   2.00  20.80) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  15.61 +/- 0.74   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.968, support = 2.03, residual support = 21.7:
    * O T HA    ALA   64 - QB    ALA   64   2.12 +/- 0.01  87.450% * 72.6945% (1.00  10.0 10.00   2.00  20.80) =  94.889%  kept
        T HB2   PHE   72 - QB    ALA   64   3.14 +/- 0.53  12.550% * 27.2831% (0.38   1.0 10.00   2.57  39.24) =   5.111%  kept
          HB3   ASN   35 - QB    ALA   64  17.52 +/- 0.81   0.000% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.41, residual support = 164.9:
    * O T QB    LYS+  65 - HA    LYS+  65   2.42 +/- 0.10  98.832% * 99.3780% (0.92  10.0 10.00   6.41 164.85) =  99.999%  kept
          QB    LYS+  66 - HA    LYS+  65   5.36 +/- 0.12   0.858% *  0.0563% (0.52   1.0  1.00   0.02  26.12) =   0.000%
          HB3   GLN   17 - HA    LYS+  65   7.36 +/- 1.39   0.252% *  0.0603% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  65  12.35 +/- 0.74   0.006% *  0.0992% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HA    LYS+ 121  14.21 +/- 1.42   0.003% *  0.1121% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121   9.75 +/- 1.75   0.039% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  65  18.50 +/- 0.91   0.001% *  0.0830% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  65  16.94 +/- 0.75   0.001% *  0.0373% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  14.06 +/- 0.90   0.003% *  0.0110% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  20.84 +/- 1.23   0.000% *  0.0974% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  17.11 +/- 2.29   0.001% *  0.0112% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  17.24 +/- 1.44   0.001% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  20.47 +/- 1.07   0.000% *  0.0248% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  15.11 +/- 1.22   0.002% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  17.45 +/- 1.28   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  22.24 +/- 1.31   0.000% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 682 (1.50, 3.96, 58.29 ppm):
    20 chemical-shift based assignments, quality = 0.879, support = 5.41, residual support = 171.0:
    * O T HG2   LYS+  65 - HA    LYS+  65   2.85 +/- 0.66  40.409% * 53.0514% (0.92  10.0 10.00   5.27 164.85) =  94.480%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.56 +/- 0.27  54.619% *  1.4928% (0.03  10.0 10.00   8.21 314.85) =   3.594%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.95 +/- 0.36   4.476% *  5.9339% (0.10   1.0 10.00   7.74 314.85) =   1.171%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.91 +/- 0.79   0.445% * 38.5232% (0.67   1.0 10.00   5.46  26.12) =   0.755%  kept
        T QD    LYS+  66 - HA    LYS+ 121  10.76 +/- 2.09   0.023% *  0.0435% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  15.97 +/- 2.32   0.001% *  0.5258% (0.91   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.66 +/- 0.82   0.004% *  0.0819% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.26 +/- 2.25   0.001% *  0.1323% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.96 +/- 0.89   0.003% *  0.0443% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.18 +/- 1.71   0.001% *  0.0599% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.92 +/- 1.11   0.001% *  0.0526% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.27 +/- 1.05   0.004% *  0.0118% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  11.26 +/- 1.12   0.008% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.66 +/- 1.68   0.000% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  14.03 +/- 1.51   0.002% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.05 +/- 1.09   0.002% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.70 +/- 1.38   0.000% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  21.29 +/- 1.31   0.000% *  0.0092% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  22.14 +/- 0.96   0.000% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.83 +/- 0.94   0.000% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.92, support = 5.25, residual support = 164.2:
    * O T HG3   LYS+  65 - HA    LYS+  65   2.98 +/- 0.59  85.196% * 94.0974% (0.92  10.0 10.00   5.27 164.85) =  99.619%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   4.44 +/- 0.41  14.583% *  2.1015% (0.02   1.0 10.00   6.72 314.85) =   0.381%
        T HG3   LYS+ 106 - HA    LYS+ 121  11.68 +/- 1.07   0.052% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  11.36 +/- 0.63   0.042% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  18.93 +/- 1.67   0.002% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  65  19.76 +/- 1.25   0.002% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  14.06 +/- 0.99   0.013% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  16.62 +/- 2.16   0.006% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  14.66 +/- 1.90   0.011% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+ 121  17.48 +/- 1.90   0.005% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  13.72 +/- 1.52   0.021% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  65  24.64 +/- 1.49   0.000% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  17.43 +/- 1.59   0.004% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.86 +/- 0.66   0.004% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  65  20.10 +/- 1.57   0.002% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  14.49 +/- 1.22   0.013% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  65  16.61 +/- 0.80   0.004% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  13.89 +/- 0.91   0.015% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  15.53 +/- 0.79   0.006% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  24.59 +/- 1.85   0.000% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  18.03 +/- 0.98   0.003% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  65  20.43 +/- 0.69   0.001% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  15.25 +/- 1.11   0.009% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.46 +/- 1.29   0.001% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  17.09 +/- 1.28   0.004% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  25.32 +/- 1.78   0.000% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  21.54 +/- 0.90   0.001% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.85 +/- 1.13   0.001% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.06 A, kept.
 
    Peak 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.819, support = 5.2, residual support = 184.0:
    *   T QD    LYS+  65 - HA    LYS+  65   3.11 +/- 0.52  42.592% * 86.8789% (0.92   1.0 10.00   4.75 164.85) =  87.231%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.92 +/- 0.07  55.364% *  9.7826% (0.10  10.0 10.00   8.32 314.85) =  12.767%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.36 +/- 0.81   1.990% *  0.0334% (0.04   1.0 10.00   0.02   2.19) =   0.002%
        T HB2   LYS+ 121 - HA    LYS+  65  15.55 +/- 1.83   0.003% *  0.8669% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  13.89 +/- 1.61   0.006% *  0.2964% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  12.48 +/- 1.21   0.011% *  0.0492% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.93 +/- 1.44   0.001% *  0.8020% (0.85   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.26 +/- 0.47   0.016% *  0.0242% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  16.36 +/- 1.47   0.002% *  0.0980% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  15.98 +/- 1.41   0.003% *  0.0555% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.78 +/- 0.99   0.000% *  0.4919% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  18.87 +/- 1.70   0.001% *  0.0905% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  16.20 +/- 1.53   0.002% *  0.0244% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  23.80 +/- 1.36   0.000% *  0.2166% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  15.85 +/- 1.33   0.003% *  0.0151% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  65  23.08 +/- 1.11   0.000% *  0.1340% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  18.27 +/- 0.93   0.001% *  0.0326% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  23.77 +/- 1.11   0.000% *  0.0861% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.70 +/- 0.75   0.002% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  18.26 +/- 1.68   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  21.03 +/- 1.35   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.33 +/- 1.09   0.000% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 164.9:
    *   T QE    LYS+  65 - HA    LYS+  65   4.32 +/- 0.33  99.897% * 97.2340% (0.92 10.00   4.75 164.85) = 100.000%  kept
        T QE    LYS+  33 - HA    LYS+  65  17.04 +/- 2.24   0.038% *  0.8720% (0.83 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+ 121  17.14 +/- 1.61   0.035% *  0.1097% (0.10 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LYS+  65  24.19 +/- 1.22   0.004% *  0.9384% (0.89 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    LYS+  65  23.40 +/- 1.18   0.004% *  0.5898% (0.56 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LYS+ 121  23.33 +/- 2.06   0.005% *  0.0984% (0.09 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  65  24.85 +/- 0.87   0.003% *  0.0898% (0.85  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  65  23.81 +/- 1.27   0.004% *  0.0365% (0.35  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  24.17 +/- 1.13   0.004% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  24.75 +/- 1.79   0.003% *  0.0067% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LYS+ 121  28.47 +/- 1.41   0.001% *  0.0106% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  30.24 +/- 1.23   0.001% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 5.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 686 (3.96, 1.80, 33.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 6.41, residual support = 164.9:
    * O T HA    LYS+  65 - QB    LYS+  65   2.42 +/- 0.10  99.597% * 98.7802% (0.92  10.0 10.00   6.41 164.85) = 100.000%  kept
          HA2   GLY   16 - QB    LYS+  65   6.88 +/- 1.17   0.382% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QB    LYS+  65  14.21 +/- 1.42   0.003% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  65  11.37 +/- 1.23   0.012% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  14.02 +/- 0.92   0.003% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    LYS+  65  16.60 +/- 0.59   0.001% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    LYS+  65  18.37 +/- 1.19   0.001% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    LYS+  65  18.78 +/- 0.93   0.000% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    LYS+  65  18.18 +/- 0.74   0.001% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  23.31 +/- 0.45   0.000% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  22.64 +/- 0.89   0.000% *  0.0212% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  24.19 +/- 0.59   0.000% *  0.0187% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.80, 1.80, 33.13 ppm):
    1 diagonal assignment:
    *     QB    LYS+  65 - QB    LYS+  65  (1.00)  kept
 
    Peak 689 (1.50, 1.80, 33.13 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 5.65, residual support = 154.7:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.40 +/- 0.15  90.199% * 57.5064% (1.00  10.0 10.00   5.67 164.85) =  92.706%  kept
        T QD    LYS+  66 - QB    LYS+  65   4.47 +/- 1.05   9.773% * 41.7582% (0.73   1.0 10.00   5.34  26.12) =   7.294%  kept
        T HD2   LYS+ 121 - QB    LYS+  65  13.84 +/- 2.04   0.003% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  65  12.20 +/- 0.83   0.006% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  65  15.47 +/- 0.85   0.001% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  65  11.36 +/- 0.76   0.009% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  65  14.10 +/- 1.85   0.003% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QB    LYS+  65  13.33 +/- 0.76   0.003% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  17.35 +/- 1.35   0.001% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  17.19 +/- 1.22   0.001% *  0.0101% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (1.66, 1.80, 33.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 164.9:
    * O T QD    LYS+  65 - QB    LYS+  65   2.09 +/- 0.12  99.963% * 97.4795% (1.00  10.0 10.00   5.15 164.85) = 100.000%  kept
          QB    ALA   57 - QB    LYS+  65   8.79 +/- 0.48   0.023% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+  65  15.16 +/- 0.90   0.001% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QB    LYS+  65  11.45 +/- 1.14   0.005% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  11.57 +/- 1.46   0.005% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+  65  13.39 +/- 1.64   0.002% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QB    LYS+  65  19.31 +/- 1.09   0.000% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QB    LYS+  65  21.08 +/- 0.90   0.000% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  65  19.90 +/- 1.29   0.000% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  19.21 +/- 1.10   0.000% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  21.83 +/- 0.96   0.000% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 692 (2.93, 1.80, 33.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 164.9:
    *   T QE    LYS+  65 - QB    LYS+  65   3.37 +/- 0.36  99.985% * 98.8300% (1.00 10.00   5.15 164.85) = 100.000%  kept
        T QE    LYS+  33 - QB    LYS+  65  17.01 +/- 1.85   0.009% *  0.8863% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  65  22.70 +/- 0.58   0.001% *  0.0912% (0.92  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QB    LYS+  65  23.02 +/- 0.82   0.001% *  0.0954% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+  65  22.64 +/- 0.84   0.001% *  0.0599% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  65  21.30 +/- 1.08   0.002% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 5.31 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 = 164.9:
    * O T HA    LYS+  65 - HG2   LYS+  65   2.85 +/- 0.66  99.357% * 97.8884% (0.92  10.0 10.00   5.27 164.85) =  99.999%  kept
          HA2   GLY   16 - HG2   LYS+  65   7.30 +/- 1.50   0.601% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ALA  120 - HG2   LYS+  65  14.19 +/- 1.50   0.020% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG2   LYS+  65  17.18 +/- 1.71   0.006% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+  65  18.31 +/- 1.01   0.003% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HG2   LYS+  65  16.66 +/- 1.19   0.006% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+  65  19.68 +/- 1.53   0.002% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+  65  20.57 +/- 1.17   0.001% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   LYS+  65  19.94 +/- 0.90   0.002% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+  65  25.56 +/- 1.17   0.000% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  24.78 +/- 1.75   0.000% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  26.73 +/- 1.15   0.000% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 701 (1.80, 1.50, 25.13 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.67, residual support = 164.8:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.40 +/- 0.15  98.748% * 99.0387% (1.00  10.0 10.00   5.67 164.85) =  99.995%  kept
        T QB    LYS+  66 - HG2   LYS+  65   6.17 +/- 0.87   0.849% *  0.5607% (0.57   1.0 10.00   0.02  26.12) =   0.005%
          HB3   GLN   17 - HG2   LYS+  65   7.84 +/- 2.36   0.398% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+  65  13.77 +/- 1.12   0.004% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+  65  17.37 +/- 1.30   0.001% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   LYS+  65  18.21 +/- 1.04   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  22.02 +/- 1.17   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  21.33 +/- 1.14   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 164.9:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.30 +/- 0.09  99.961% * 96.4735% (1.00  10.0 10.00   4.44 164.85) = 100.000%  kept
        T HD2   LYS+  74 - HG2   LYS+  65  11.78 +/- 1.63   0.009% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HG2   LYS+  65  16.09 +/- 1.83   0.001% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  65   9.56 +/- 0.88   0.025% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  65  21.75 +/- 1.16   0.000% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  14.46 +/- 2.00   0.003% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  65  23.92 +/- 0.84   0.000% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  65  22.94 +/- 1.56   0.000% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  16.98 +/- 1.36   0.001% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  22.17 +/- 1.25   0.000% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  65  23.61 +/- 1.40   0.000% *  0.0956% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 164.9:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.69 +/- 0.25  99.998% * 98.8300% (1.00  10.0 10.00   4.44 164.85) = 100.000%  kept
        T QE    LYS+  33 - HG2   LYS+  65  18.41 +/- 2.48   0.002% *  0.8863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  65  24.88 +/- 1.89   0.000% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  24.89 +/- 1.18   0.000% *  0.0912% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  65  22.72 +/- 2.15   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  25.01 +/- 1.36   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 164.8:
    *   T HA    LYS+  65 - QD    LYS+  65   3.11 +/- 0.52  95.338% * 96.9449% (0.92 10.00   4.75 164.85) =  99.996%  kept
          HA2   GLY   16 - QD    LYS+  65   6.55 +/- 1.21   3.087% *  0.1014% (0.97  1.00   0.02   0.02) =   0.003%
        T HA    LYS+ 121 - QD    LYS+  65  16.36 +/- 1.47   0.008% *  0.5946% (0.57 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+ 111   8.31 +/- 1.19   0.529% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  65  13.41 +/- 1.36   0.026% *  0.0993% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   8.02 +/- 0.97   0.639% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+ 111  16.20 +/- 1.53   0.009% *  0.1472% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+ 102  15.98 +/- 1.41   0.008% *  0.1503% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD2   LYS+ 111  15.85 +/- 1.33   0.011% *  0.0911% (0.09 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+  38  19.93 +/- 1.44   0.002% *  0.1771% (0.17 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 111  13.88 +/- 1.04   0.023% *  0.0168% (0.16  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38  10.48 +/- 0.62   0.094% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  65  18.61 +/- 1.39   0.003% *  0.0803% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  38  18.87 +/- 1.70   0.003% *  0.1086% (0.10 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  65  18.05 +/- 0.63   0.004% *  0.0679% (0.65  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  13.84 +/- 0.92   0.022% *  0.0104% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+ 102  22.78 +/- 0.99   0.001% *  0.2450% (0.23 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  65  15.91 +/- 0.91   0.008% *  0.0262% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  14.42 +/- 1.42   0.024% *  0.0089% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  16.14 +/- 1.11   0.007% *  0.0246% (0.23  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  17.23 +/- 1.97   0.007% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+ 111  23.80 +/- 1.36   0.001% *  0.2400% (0.23 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  16.40 +/- 1.84   0.013% *  0.0127% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  65  19.29 +/- 1.23   0.003% *  0.0511% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  15.57 +/- 0.92   0.010% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  14.05 +/- 1.55   0.027% *  0.0055% (0.05  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 111  23.08 +/- 1.11   0.001% *  0.1485% (0.14 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  16.89 +/- 1.39   0.007% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  65  18.99 +/- 0.96   0.003% *  0.0358% (0.34  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  15.92 +/- 1.93   0.014% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  14.07 +/- 1.80   0.017% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  38  18.14 +/- 1.80   0.004% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  19.43 +/- 1.58   0.003% *  0.0199% (0.19  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  19.97 +/- 1.43   0.002% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  65  24.31 +/- 0.82   0.001% *  0.1014% (0.97  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  19.40 +/- 1.39   0.002% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  16.01 +/- 1.21   0.008% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  19.19 +/- 1.73   0.003% *  0.0123% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  20.24 +/- 1.53   0.002% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  17.54 +/- 2.22   0.007% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  21.17 +/- 1.79   0.001% *  0.0181% (0.17  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  17.86 +/- 1.54   0.005% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  23.06 +/- 1.32   0.001% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  23.06 +/- 0.95   0.001% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  23.41 +/- 1.36   0.001% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  22.15 +/- 0.81   0.001% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  18.24 +/- 1.65   0.004% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  24.76 +/- 1.39   0.001% *  0.0203% (0.19  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  25.58 +/- 0.80   0.000% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  20.76 +/- 1.04   0.001% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  27.93 +/- 1.01   0.000% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  32.28 +/- 1.93   0.000% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  27.27 +/- 0.94   0.000% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  27.70 +/- 0.60   0.000% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  26.16 +/- 1.39   0.000% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  29.32 +/- 1.27   0.000% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  25.10 +/- 1.09   0.000% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  30.72 +/- 0.87   0.000% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  33.34 +/- 0.94   0.000% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  32.22 +/- 1.80   0.000% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.04 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.882, support = 5.09, residual support = 164.1:
    * O T QB    LYS+  65 - QD    LYS+  65   2.09 +/- 0.12  56.976% * 77.3143% (1.00  10.0 10.00   5.15 164.85) =  84.375%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.23 +/- 0.31  42.586% * 19.1545% (0.25  10.0 10.00   4.75 159.98) =  15.624%  kept
          QB    LYS+  66 - QD    LYS+  65   6.20 +/- 0.56   0.130% *  0.0438% (0.57   1.0  1.00   0.02  26.12) =   0.000%
          HB3   GLN   17 - QD    LYS+  65   7.30 +/- 1.91   0.090% *  0.0469% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  38   9.53 +/- 2.09   0.017% *  0.1384% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD2   LYS+ 111   8.59 +/- 1.19   0.019% *  0.0989% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+ 102   6.57 +/- 0.96   0.150% *  0.0049% (0.06   1.0  1.00   0.02  22.37) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  10.32 +/- 1.45   0.008% *  0.0733% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  38  10.38 +/- 0.79   0.004% *  0.0530% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD3   LYS+ 111   8.91 +/- 1.07   0.013% *  0.0160% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  16.93 +/- 0.96   0.000% *  0.6458% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.69 +/- 0.92   0.001% *  0.0771% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  17.76 +/- 0.82   0.000% *  0.2902% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.97 +/- 0.84   0.000% *  0.7578% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  11.40 +/- 0.77   0.002% *  0.0141% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD3   LYS+ 111  19.90 +/- 1.29   0.000% *  0.1914% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+  38  19.31 +/- 1.09   0.000% *  0.1412% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.53 +/- 1.25   0.001% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.21 +/- 1.10   0.000% *  0.1184% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  21.08 +/- 0.90   0.000% *  0.1954% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  20.91 +/- 1.36   0.000% *  0.1632% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  20.80 +/- 1.97   0.000% *  0.1161% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  13.47 +/- 1.10   0.001% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  26.13 +/- 1.13   0.000% *  0.1180% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  17.15 +/- 1.10   0.000% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  18.18 +/- 1.61   0.000% *  0.0108% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  18.26 +/- 1.34   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.50 +/- 2.08   0.000% *  0.0445% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  20.64 +/- 2.21   0.000% *  0.0188% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.55 +/- 1.38   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  20.70 +/- 0.91   0.000% *  0.0193% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  20.07 +/- 1.39   0.000% *  0.0086% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  19.24 +/- 1.99   0.000% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  24.58 +/- 2.29   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  19.35 +/- 1.90   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  24.26 +/- 2.13   0.000% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  24.11 +/- 1.11   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  23.62 +/- 2.18   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  27.80 +/- 0.93   0.000% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  27.17 +/- 0.90   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 164.8:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.30 +/- 0.09  83.298% * 94.3122% (1.00  10.0 10.00   4.44 164.85) =  99.990%  kept
        T QD    LYS+  66 - QD    LYS+  65   6.01 +/- 0.82   0.436% *  0.6848% (0.73   1.0 10.00   0.02  26.12) =   0.004%
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.52 +/- 0.54  11.474% *  0.0253% (0.03  10.0  1.00   0.02 315.72) =   0.004%
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.78 +/- 0.31   4.546% *  0.0409% (0.04  10.0  1.00   0.02 315.72) =   0.002%
        T HB2   LYS+  74 - QD    LYS+  65  12.50 +/- 1.23   0.004% *  0.7878% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+ 102   6.96 +/- 1.05   0.173% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  65  16.02 +/- 1.95   0.001% *  0.9348% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  65  11.79 +/- 1.11   0.006% *  0.1455% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD3   LYS+ 111  14.47 +/- 2.37   0.003% *  0.2314% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+ 102  14.59 +/- 1.55   0.002% *  0.2363% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  65  16.29 +/- 1.84   0.001% *  0.2352% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.93 +/- 0.72   0.027% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  65  15.56 +/- 1.42   0.001% *  0.0935% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  18.20 +/- 2.61   0.001% *  0.1708% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  14.64 +/- 1.25   0.001% *  0.0594% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  15.06 +/- 1.70   0.001% *  0.0582% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HD3   LYS+ 111  19.40 +/- 2.03   0.000% *  0.1695% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  14.20 +/- 2.25   0.003% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+  38  18.44 +/- 1.32   0.000% *  0.1251% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  19.90 +/- 1.54   0.000% *  0.1731% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  11.22 +/- 1.35   0.009% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  14.75 +/- 0.97   0.001% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  22.94 +/- 1.56   0.000% *  0.2335% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  12.27 +/- 1.03   0.004% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  21.09 +/- 0.89   0.000% *  0.1439% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  21.75 +/- 1.16   0.000% *  0.1723% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  22.64 +/- 0.96   0.000% *  0.1950% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  15.08 +/- 0.58   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  18.19 +/- 1.45   0.000% *  0.0430% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  22.17 +/- 1.25   0.000% *  0.1445% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  23.92 +/- 0.84   0.000% *  0.2384% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  17.02 +/- 1.28   0.001% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  20.39 +/- 1.06   0.000% *  0.0360% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  19.26 +/- 1.24   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  14.76 +/- 1.50   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  19.05 +/- 1.22   0.000% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  22.15 +/- 1.07   0.000% *  0.0368% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  18.72 +/- 1.80   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  21.24 +/- 1.08   0.000% *  0.0199% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  22.89 +/- 0.78   0.000% *  0.0266% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  20.31 +/- 2.21   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  22.21 +/- 0.91   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  25.01 +/- 0.91   0.000% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  20.25 +/- 2.38   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  20.29 +/- 1.96   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  24.79 +/- 0.92   0.000% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  19.90 +/- 1.12   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  24.32 +/- 2.10   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  24.04 +/- 1.87   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  26.58 +/- 2.36   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 712 (1.66, 1.66, 29.54 ppm):
    5 diagonal assignments:
    *     QD    LYS+  65 - QD    LYS+  65  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.17)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.14)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.06)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 713 (2.93, 1.66, 29.54 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 164.9:
    * O T QE    LYS+  65 - QD    LYS+  65   2.10 +/- 0.03  99.930% * 97.0780% (1.00  10.0 10.00   4.00 164.85) = 100.000%  kept
        T QE    LYS+  33 - QD    LYS+  38  10.77 +/- 1.27   0.008% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  38   7.62 +/- 0.77   0.053% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+  65  17.25 +/- 2.08   0.000% *  0.8706% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+ 102  16.40 +/- 1.56   0.001% *  0.2201% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  12.30 +/- 1.96   0.005% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  14.73 +/- 2.07   0.001% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  21.70 +/- 1.21   0.000% *  0.2403% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  38  21.00 +/- 1.64   0.000% *  0.1773% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  20.95 +/- 1.11   0.000% *  0.1487% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  23.13 +/- 0.94   0.000% *  0.2454% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  17.22 +/- 1.51   0.000% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  16.87 +/- 0.69   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  23.62 +/- 1.45   0.000% *  0.0937% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  23.95 +/- 0.78   0.000% *  0.0896% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  65  21.53 +/- 1.76   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  23.59 +/- 1.13   0.000% *  0.0589% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.64 +/- 1.73   0.000% *  0.2155% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  21.44 +/- 1.55   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  20.57 +/- 1.08   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  29.42 +/- 1.51   0.000% *  0.1334% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  21.63 +/- 1.65   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  24.36 +/- 2.01   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  24.18 +/- 2.00   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  30.60 +/- 1.74   0.000% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  26.29 +/- 1.48   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  30.56 +/- 1.80   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  32.14 +/- 2.19   0.000% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  29.00 +/- 0.81   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  32.10 +/- 2.13   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.91, support = 4.72, residual support = 162.3:
    *   T HA    LYS+  65 - QE    LYS+  65   4.32 +/- 0.33  81.583% * 88.0388% (0.92 10.00   4.75 164.85) =  98.364%  kept
        T HA    GLN   32 - QE    LYS+  33   6.88 +/- 1.20  12.249% *  9.7024% (0.10 10.00   3.27  11.38) =   1.628%  kept
          HA2   GLY   16 - QE    LYS+  65   7.41 +/- 1.37   5.752% *  0.0920% (0.97  1.00   0.02   0.02) =   0.007%
        T HA    LYS+ 121 - QE    LYS+  65  17.14 +/- 1.61   0.027% *  0.5399% (0.57 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QE    LYS+  33  17.04 +/- 2.24   0.032% *  0.4526% (0.47 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  65  14.20 +/- 1.51   0.086% *  0.0902% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QE    LYS+  33  13.80 +/- 2.14   0.118% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  65  17.85 +/- 1.86   0.020% *  0.0729% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  33  23.33 +/- 2.06   0.004% *  0.2776% (0.29 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  65  17.77 +/- 1.14   0.018% *  0.0617% (0.65  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  65  16.28 +/- 1.00   0.033% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  65  18.50 +/- 1.52   0.016% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  23.67 +/- 2.04   0.003% *  0.1887% (0.20 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  18.30 +/- 1.19   0.016% *  0.0325% (0.34  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  33  19.98 +/- 1.20   0.009% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  33  19.65 +/- 1.02   0.010% *  0.0317% (0.33  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  65  23.94 +/- 1.45   0.003% *  0.0920% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  33  21.91 +/- 1.36   0.005% *  0.0375% (0.39  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  33  24.00 +/- 2.35   0.003% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  23.33 +/- 1.31   0.004% *  0.0122% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  25.25 +/- 1.38   0.002% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  23.11 +/- 1.08   0.004% *  0.0086% (0.09  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.58 +/- 1.26   0.002% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  28.79 +/- 1.38   0.001% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.03 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 5.14, residual support = 164.5:
    *   T QB    LYS+  65 - QE    LYS+  65   3.37 +/- 0.36  90.035% * 87.9661% (1.00 10.00   5.15 164.85) =  99.801%  kept
          QB    LYS+  66 - QE    LYS+  65   7.16 +/- 0.69   1.392% * 11.0174% (0.57  1.00   4.42  26.12) =   0.193%
          HB3   GLN   17 - QE    LYS+  65   7.32 +/- 2.53   7.323% *  0.0534% (0.61  1.00   0.02   0.02) =   0.005%
          HB2   LEU   71 - QE    LYS+  33   8.68 +/- 2.29   0.766% *  0.0451% (0.51  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  33  10.12 +/- 1.44   0.372% *  0.0170% (0.19  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QE    LYS+  33  17.01 +/- 1.85   0.007% *  0.4522% (0.51 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  65  14.11 +/- 1.27   0.023% *  0.0878% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  33  13.47 +/- 1.86   0.035% *  0.0274% (0.31  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  33  15.63 +/- 1.60   0.014% *  0.0443% (0.50  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  65  16.64 +/- 1.10   0.007% *  0.0735% (0.84  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  17.21 +/- 1.73   0.006% *  0.0256% (0.29  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  65  18.11 +/- 1.22   0.005% *  0.0330% (0.38  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  65  21.46 +/- 1.17   0.002% *  0.0862% (0.98  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  16.30 +/- 0.85   0.009% *  0.0113% (0.13  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  21.01 +/- 1.03   0.002% *  0.0219% (0.25  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  24.28 +/- 1.18   0.001% *  0.0378% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.06 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 164.9:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.69 +/- 0.25  98.151% * 98.8048% (1.00  10.0 10.00   4.44 164.85) =  99.999%  kept
          QD    LYS+  66 - QE    LYS+  65   7.05 +/- 1.40   0.938% *  0.0717% (0.73   1.0  1.00   0.02  26.12) =   0.001%
          QG2   THR   26 - QE    LYS+  33   6.82 +/- 1.19   0.809% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  65  11.98 +/- 2.09   0.019% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QE    LYS+  33  18.41 +/- 2.48   0.002% *  0.5079% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  65  11.18 +/- 1.94   0.028% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  65  15.37 +/- 2.15   0.004% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  33  14.16 +/- 1.45   0.007% *  0.0424% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  11.30 +/- 1.52   0.025% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  65  16.70 +/- 1.87   0.002% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  15.48 +/- 1.19   0.004% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  16.96 +/- 1.96   0.002% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  18.58 +/- 1.93   0.001% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  21.79 +/- 2.44   0.001% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  16.70 +/- 1.29   0.002% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  19.86 +/- 1.50   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  16.79 +/- 1.29   0.002% *  0.0078% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  19.00 +/- 1.19   0.001% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  22.29 +/- 2.08   0.000% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  27.17 +/- 2.25   0.000% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 164.9:
    * O T QD    LYS+  65 - QE    LYS+  65   2.10 +/- 0.03  99.953% * 96.2302% (1.00  10.0 10.00   4.00 164.85) = 100.000%  kept
        T QD    LYS+  38 - QE    LYS+  33  10.77 +/- 1.27   0.008% *  0.4567% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  65   8.66 +/- 1.15   0.027% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  11.40 +/- 1.87   0.006% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  33  17.25 +/- 2.08   0.000% *  0.4947% (0.51   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  33  16.40 +/- 1.56   0.001% *  0.2801% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  65  21.00 +/- 1.64   0.000% *  0.8883% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  65  16.26 +/- 1.66   0.001% *  0.0960% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  14.42 +/- 1.93   0.001% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  65  23.13 +/- 0.94   0.000% *  0.5448% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  16.73 +/- 1.34   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.55 +/- 1.49   0.001% *  0.0280% (0.29   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  21.70 +/- 1.21   0.000% *  0.2400% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  16.14 +/- 1.30   0.001% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  20.95 +/- 1.11   0.000% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  65  22.31 +/- 1.67   0.000% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  22.01 +/- 1.90   0.000% *  0.0494% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  19.79 +/- 1.46   0.000% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.64 +/- 1.73   0.000% *  0.1234% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  29.42 +/- 1.51   0.000% *  0.0763% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  23.99 +/- 2.88   0.000% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  24.43 +/- 1.19   0.000% *  0.0186% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 727 (2.93, 2.93, 42.22 ppm):
    2 diagonal assignments:
    *     QE    LYS+  65 - QE    LYS+  65  (1.00)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.46)  kept
 
    Peak 728 (4.07, 4.07, 57.65 ppm):
    1 diagonal assignment:
    *     HA    LYS+  66 - HA    LYS+  66  (1.00)  kept
 
    Peak 729 (1.82, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 4.99, residual support = 115.2:
    * O T QB    LYS+  66 - HA    LYS+  66   2.40 +/- 0.09  96.081% * 86.1098% (1.00  10.0 10.00   4.99 115.71) =  99.395%  kept
          QB    LYS+  65 - HA    LYS+  66   4.14 +/- 0.21   3.869% * 13.0188% (0.57   1.0  1.00   5.34  26.12) =   0.605%  kept
          HG    LEU  123 - HA    LYS+  66   9.29 +/- 1.49   0.045% *  0.0488% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  66  13.60 +/- 1.15   0.004% *  0.0453% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  66  23.36 +/- 1.56   0.000% *  0.4875% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  66  17.63 +/- 0.47   0.001% *  0.0815% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  66  19.11 +/- 1.11   0.000% *  0.0772% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  20.12 +/- 1.37   0.000% *  0.0719% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  19.78 +/- 1.29   0.000% *  0.0591% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (1.44, 4.07, 57.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 115.7:
    * O T QG    LYS+  66 - HA    LYS+  66   2.58 +/- 0.30  98.064% * 98.9829% (1.00  10.0 10.00   4.31 115.71) =  99.996%  kept
        T HG    LEU   67 - HA    LYS+  66   6.40 +/- 0.81   0.814% *  0.3715% (0.38   1.0 10.00   0.02  10.43) =   0.003%
          HB3   LEU   67 - HA    LYS+  66   6.05 +/- 0.61   0.982% *  0.0936% (0.95   1.0  1.00   0.02  10.43) =   0.001%
          QB    ALA   61 - HA    LYS+  66   8.12 +/- 0.28   0.121% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  66  13.10 +/- 0.95   0.007% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  66  14.74 +/- 1.54   0.004% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+  66  16.11 +/- 0.99   0.002% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  66  14.68 +/- 1.89   0.004% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  16.95 +/- 1.49   0.002% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  23.35 +/- 1.72   0.000% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  24.73 +/- 1.10   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  25.38 +/- 0.96   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.02 A, kept.
 
    Peak 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 4.31, residual support = 115.0:
    *   T QD    LYS+  66 - HA    LYS+  66   2.47 +/- 0.49  95.007% * 85.1996% (1.00 10.00   4.31 115.71) =  99.159%  kept
          HG2   LYS+  65 - HA    LYS+  66   6.09 +/- 1.09   4.967% * 13.8209% (0.73  1.00   4.47  26.12) =   0.841%  kept
        T HD2   LYS+ 121 - HA    LYS+  66  13.34 +/- 2.48   0.012% *  0.6822% (0.80 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    LYS+  66  13.39 +/- 2.40   0.008% *  0.0585% (0.69  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  66  15.93 +/- 0.67   0.002% *  0.0448% (0.53  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  66  17.22 +/- 1.85   0.001% *  0.0585% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  66  16.44 +/- 0.79   0.001% *  0.0320% (0.38  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  66  18.61 +/- 0.87   0.001% *  0.0551% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  66  19.83 +/- 1.45   0.001% *  0.0482% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.01, residual support = 115.7:
    *   T QE    LYS+  66 - HA    LYS+  66   3.90 +/- 0.39  99.625% * 99.6609% (1.00 10.00   4.01 115.71) = 100.000%  kept
          HB2   ASN   69 - HA    LYS+  66  10.34 +/- 0.77   0.371% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  66  23.65 +/- 0.78   0.002% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HA    LYS+  66  24.68 +/- 0.88   0.002% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 4.99, residual support = 115.7:
    * O T HA    LYS+  66 - QB    LYS+  66   2.40 +/- 0.09  99.892% * 99.9488% (1.00  10.0 10.00   4.99 115.71) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66   8.00 +/- 0.99   0.108% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  22.07 +/- 0.77   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  23.86 +/- 0.64   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.82, 1.82, 33.88 ppm):
    1 diagonal assignment:
    *     QB    LYS+  66 - QB    LYS+  66  (1.00)  kept
 
    Peak 737 (1.44, 1.82, 33.88 ppm):
    12 chemical-shift based assignments, quality = 0.995, support = 4.3, residual support = 114.8:
    * O T QG    LYS+  66 - QB    LYS+  66   2.06 +/- 0.02  97.202% * 71.9610% (1.00  10.0 10.00   4.31 115.71) =  99.152%  kept
        T HG    LEU   67 - QB    LYS+  66   5.32 +/- 1.29   2.212% * 27.0078% (0.38   1.0 10.00   3.73  10.43) =   0.847%  kept
          HB3   LEU   67 - QB    LYS+  66   5.25 +/- 0.50   0.501% *  0.0681% (0.95   1.0  1.00   0.02  10.43) =   0.000%
          QB    ALA   61 - QB    LYS+  66   6.94 +/- 0.25   0.068% *  0.0601% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+  66  11.01 +/- 1.75   0.006% *  0.0350% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+  66  10.83 +/- 0.95   0.005% *  0.0350% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QB    LYS+  66  19.57 +/- 1.71   0.000% *  0.6242% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+  66  13.87 +/- 0.87   0.001% *  0.0681% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  13.51 +/- 1.30   0.001% *  0.0436% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  13.48 +/- 1.43   0.002% *  0.0379% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  21.21 +/- 0.99   0.000% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  21.66 +/- 0.99   0.000% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 738 (1.51, 1.82, 33.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 115.7:
    * O T QD    LYS+  66 - QB    LYS+  66   2.31 +/- 0.17  99.280% * 98.1588% (1.00  10.0 10.00   4.31 115.71) =  99.995%  kept
        T HG2   LYS+  65 - QB    LYS+  66   6.17 +/- 0.87   0.632% *  0.7128% (0.73   1.0 10.00   0.02  26.12) =   0.005%
        T HD2   LYS+ 121 - QB    LYS+  66   9.82 +/- 2.34   0.043% *  0.7860% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  66   9.91 +/- 2.23   0.035% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  13.91 +/- 1.79   0.003% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  66  13.51 +/- 0.65   0.003% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  66  14.20 +/- 0.68   0.002% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  15.51 +/- 1.40   0.001% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  16.55 +/- 0.62   0.001% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 115.7:
    *   T QE    LYS+  66 - QB    LYS+  66   2.95 +/- 0.60  99.862% * 99.6609% (1.00 10.00   3.99 115.71) = 100.000%  kept
          HB2   ASN   69 - QB    LYS+  66   9.72 +/- 0.78   0.136% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  66  20.39 +/- 0.61   0.001% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QB    LYS+  66  21.80 +/- 0.67   0.001% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 746 (4.07, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 115.7:
    * O T HA    LYS+  66 - QG    LYS+  66   2.58 +/- 0.30  96.714% * 99.8680% (1.00  10.0 10.00   4.31 115.71) =  99.999%  kept
        T HA    LYS+  66 - HG    LEU   67   6.40 +/- 0.81   0.810% *  0.0769% (0.08   1.0 10.00   0.02  10.43) =   0.001%
          HA1   GLY   16 - HG    LEU   67   7.21 +/- 2.26   2.345% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  66   8.62 +/- 1.13   0.130% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  23.31 +/- 1.02   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  24.65 +/- 0.74   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  19.65 +/- 1.58   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  25.14 +/- 1.10   0.000% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (1.82, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.997, support = 4.32, residual support = 115.1:
    * O T QB    LYS+  66 - QG    LYS+  66   2.06 +/- 0.02  93.462% * 85.2352% (1.00  10.0 10.00   4.31 115.71) =  99.353%  kept
          QB    LYS+  65 - QG    LYS+  66   3.92 +/- 0.94   4.011% * 12.8853% (0.57   1.0  1.00   5.34  26.12) =   0.645%  kept
        T QB    LYS+  66 - HG    LEU   67   5.32 +/- 1.29   2.167% *  0.0656% (0.08   1.0 10.00   0.02  10.43) =   0.002%
          HG    LEU  123 - QG    LYS+  66   6.44 +/- 1.64   0.256% *  0.0483% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG    LYS+  66  16.20 +/- 0.81   0.000% *  0.8063% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67   9.14 +/- 1.42   0.052% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QG    LYS+  66  17.54 +/- 1.31   0.000% *  0.5855% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG    LEU   67  12.26 +/- 1.11   0.002% *  0.0621% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   7.88 +/- 0.83   0.039% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    LYS+  66  13.07 +/- 1.39   0.002% *  0.0448% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    LYS+  66  15.44 +/- 1.17   0.001% *  0.0764% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  15.12 +/- 2.24   0.001% *  0.0451% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  17.63 +/- 1.41   0.000% *  0.0712% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67  11.32 +/- 1.64   0.005% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  19.21 +/- 1.75   0.000% *  0.0483% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  15.13 +/- 2.09   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  18.32 +/- 1.69   0.000% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  23.29 +/- 2.27   0.000% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 115.7:
    * O T QD    LYS+  66 - QG    LYS+  66   2.08 +/- 0.03  98.440% * 98.6006% (1.00  10.0 10.00   4.00 115.71) =  99.999%  kept
          HG2   LYS+  65 - QG    LYS+  66   5.93 +/- 1.30   1.349% *  0.0716% (0.73   1.0  1.00   0.02  26.12) =   0.001%
        T HD2   LYS+ 121 - QG    LYS+  66  10.52 +/- 2.15   0.012% *  0.7895% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG    LEU   67   7.06 +/- 1.04   0.111% *  0.0759% (0.08   1.0 10.00   0.02  10.43) =   0.000%
          HB3   LYS+ 121 - QG    LYS+  66  10.55 +/- 2.36   0.016% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG    LEU   67  11.23 +/- 3.16   0.016% *  0.0608% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  11.41 +/- 3.82   0.022% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   9.35 +/- 1.32   0.021% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG    LYS+  66  14.05 +/- 0.92   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  15.17 +/- 1.65   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  15.68 +/- 1.27   0.001% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  12.31 +/- 3.12   0.006% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG    LEU   67  14.53 +/- 1.42   0.001% *  0.0285% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  14.90 +/- 0.99   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  17.34 +/- 0.77   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  14.83 +/- 1.08   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  15.60 +/- 1.44   0.001% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  19.23 +/- 2.46   0.000% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 751 (2.87, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 115.7:
    * O T QE    LYS+  66 - QG    LYS+  66   2.13 +/- 0.09  99.705% * 99.5585% (1.00  10.0 10.00   3.72 115.71) = 100.000%  kept
        T QE    LYS+  66 - HG    LEU   67   7.58 +/- 1.51   0.160% *  0.0766% (0.08   1.0 10.00   0.02  10.43) =   0.000%
          HB2   ASN   69 - HG    LEU   67   7.34 +/- 1.12   0.127% *  0.0024% (0.02   1.0  1.00   0.02   2.97) =   0.000%
          HB2   ASN   69 - QG    LYS+  66  10.81 +/- 1.12   0.008% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QG    LYS+  66  21.03 +/- 0.92   0.000% *  0.2217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QG    LYS+  66  23.09 +/- 0.97   0.000% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  21.50 +/- 1.06   0.000% *  0.0171% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HG    LEU   67  19.42 +/- 1.51   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 752 (4.07, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 115.7:
    *   T HA    LYS+  66 - QD    LYS+  66   2.47 +/- 0.49  99.896% * 99.8184% (1.00 10.00   4.31 115.71) = 100.000%  kept
        T HA    LYS+  66 - HD2   LYS+ 121  13.34 +/- 2.48   0.015% *  0.1241% (0.12 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QD    LYS+  66   8.88 +/- 1.32   0.085% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  23.60 +/- 1.11   0.000% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  17.54 +/- 2.46   0.002% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  25.88 +/- 1.04   0.000% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  25.27 +/- 2.69   0.000% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  25.41 +/- 1.47   0.000% *  0.0019% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.82, 1.51, 29.56 ppm):
    18 chemical-shift based assignments, quality = 0.979, support = 4.36, residual support = 111.3:
    * O T QB    LYS+  66 - QD    LYS+  66   2.31 +/- 0.17  91.013% * 63.5425% (1.00  10.0 10.00   4.31 115.71) =  95.073%  kept
        T QB    LYS+  65 - QD    LYS+  66   4.47 +/- 1.05   8.331% * 35.9749% (0.57   1.0 10.00   5.34  26.12) =   4.927%  kept
          HG    LEU  123 - QD    LYS+  66   6.71 +/- 1.79   0.551% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HD2   LYS+ 121   9.82 +/- 2.34   0.034% *  0.0790% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   8.58 +/- 0.91   0.045% *  0.0045% (0.07   1.0  1.00   0.02   2.19) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 121  13.84 +/- 2.04   0.003% *  0.0447% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  66  13.71 +/- 1.64   0.003% *  0.0334% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD    LYS+  66  16.72 +/- 1.67   0.001% *  0.0570% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD    LYS+  66  17.00 +/- 0.89   0.001% *  0.0601% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  12.63 +/- 1.78   0.005% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  12.70 +/- 1.29   0.004% *  0.0054% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  18.53 +/- 1.65   0.000% *  0.0531% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  18.09 +/- 1.48   0.000% *  0.0436% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  14.80 +/- 2.10   0.002% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  15.23 +/- 2.04   0.002% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  15.31 +/- 3.33   0.003% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  20.44 +/- 1.69   0.000% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  20.12 +/- 2.42   0.000% *  0.0045% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 755 (1.44, 1.51, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 115.7:
    * O T QG    LYS+  66 - QD    LYS+  66   2.08 +/- 0.03  99.641% * 98.6304% (1.00  10.0 10.00   4.00 115.71) =  99.999%  kept
        T HG    LEU   67 - QD    LYS+  66   7.06 +/- 1.04   0.116% *  0.3702% (0.38   1.0 10.00   0.02  10.43) =   0.000%
          HB3   LEU   67 - QD    LYS+  66   7.01 +/- 0.59   0.082% *  0.0933% (0.95   1.0  1.00   0.02  10.43) =   0.000%
          QB    ALA   61 - QD    LYS+  66   7.63 +/- 1.05   0.084% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HD2   LYS+ 121  10.52 +/- 2.15   0.012% *  0.1226% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HD2   LYS+ 121  11.23 +/- 3.16   0.016% *  0.0460% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HD2   LYS+ 121  11.21 +/- 2.40   0.013% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HD2   LYS+ 121  10.20 +/- 0.92   0.008% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  66  12.32 +/- 2.31   0.005% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  11.91 +/- 2.75   0.011% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  66  12.79 +/- 1.05   0.002% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  14.63 +/- 1.62   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  66  15.89 +/- 0.86   0.001% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  15.02 +/- 1.48   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  13.16 +/- 1.79   0.003% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  13.90 +/- 1.40   0.001% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  21.41 +/- 1.88   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  15.97 +/- 2.12   0.001% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  17.57 +/- 2.21   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  23.23 +/- 1.17   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  20.39 +/- 2.79   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  23.71 +/- 1.23   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  24.15 +/- 1.87   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  23.86 +/- 1.93   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 756 (1.51, 1.51, 29.56 ppm):
    2 diagonal assignments:
    *     QD    LYS+  66 - QD    LYS+  66  (1.00)  kept
          HD2   LYS+ 121 - HD2   LYS+ 121  (0.10)  kept
 
    Peak 757 (2.87, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.59, residual support = 115.7:
    * O T QE    LYS+  66 - QD    LYS+  66   2.11 +/- 0.03  99.981% * 99.4957% (1.00  10.0 10.00   3.59 115.71) = 100.000%  kept
        T QE    LYS+  66 - HD2   LYS+ 121  10.75 +/- 2.11   0.009% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  66  10.72 +/- 1.02   0.008% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  66  22.17 +/- 0.88   0.000% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  14.99 +/- 3.33   0.002% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  23.57 +/- 0.95   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  24.77 +/- 1.60   0.000% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  23.82 +/- 2.62   0.000% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.01, residual support = 115.7:
    *   T HA    LYS+  66 - QE    LYS+  66   3.90 +/- 0.39  98.254% * 99.7309% (1.00 10.00   4.01 115.71) = 100.000%  kept
          HA1   GLY   16 - QE    LYS+  66  10.13 +/- 1.17   0.423% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASP-  76   8.15 +/- 0.42   1.310% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB2   ASP-  76  23.65 +/- 0.78   0.002% *  0.2073% (0.21 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  66  24.34 +/- 1.43   0.002% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  19.85 +/- 0.76   0.007% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QE    LYS+  66  26.20 +/- 0.85   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  25.89 +/- 0.85   0.001% *  0.0046% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 5.44 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 = 0.989, support = 4.01, residual support = 113.5:
    *   T QB    LYS+  66 - QE    LYS+  66   2.95 +/- 0.60  78.750% * 87.6623% (1.00 10.00   3.99 115.71) =  97.541%  kept
          QB    LYS+  65 - QE    LYS+  66   5.45 +/- 1.29  14.961% * 11.6132% (0.57  1.00   4.68  26.12) =   2.455%  kept
          HG    LEU  123 - QE    LYS+  66   5.77 +/- 1.80   6.252% *  0.0496% (0.57  1.00   0.02   0.02) =   0.004%
          HB2   LEU   71 - QE    LYS+  66  14.45 +/- 1.51   0.009% *  0.0461% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  66  16.49 +/- 1.44   0.004% *  0.0786% (0.90  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  66  17.42 +/- 1.06   0.003% *  0.0829% (0.95  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HB2   ASP-  76  20.39 +/- 0.61   0.001% *  0.1823% (0.21 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  66  18.57 +/- 1.80   0.002% *  0.0732% (0.84  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  66  18.07 +/- 1.70   0.002% *  0.0602% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  66  20.21 +/- 1.89   0.001% *  0.0496% (0.57  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   ASP-  76  15.85 +/- 1.06   0.004% *  0.0163% (0.19  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  17.63 +/- 0.97   0.002% *  0.0172% (0.20  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  16.77 +/- 1.07   0.003% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  17.25 +/- 0.88   0.003% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   ASP-  76  18.49 +/- 0.96   0.002% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  20.01 +/- 0.89   0.001% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  22.93 +/- 0.73   0.000% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  27.62 +/- 1.06   0.000% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.15 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 = 3.71, residual support = 115.7:
    * O T QG    LYS+  66 - QE    LYS+  66   2.13 +/- 0.09  98.761% * 98.5716% (1.00  10.0 10.00   3.72 115.71) =  99.999%  kept
        T HG    LEU   67 - QE    LYS+  66   7.58 +/- 1.51   0.159% *  0.3700% (0.38   1.0 10.00   0.02  10.43) =   0.001%
          HG    LEU   80 - HB2   ASP-  76   5.29 +/- 0.89   0.728% *  0.0133% (0.13   1.0  1.00   0.02   3.05) =   0.000%
          HB3   LEU   67 - QE    LYS+  66   7.72 +/- 0.97   0.069% *  0.0932% (0.95   1.0  1.00   0.02  10.43) =   0.000%
          QB    ALA   61 - QE    LYS+  66   8.08 +/- 1.28   0.076% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.63 +/- 0.94   0.188% *  0.0036% (0.04   1.0  1.00   0.02   3.05) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  11.86 +/- 2.21   0.006% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  66  13.12 +/- 1.36   0.002% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  66  14.30 +/- 1.59   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  11.98 +/- 1.22   0.004% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  16.59 +/- 1.09   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  16.04 +/- 1.39   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   ASP-  76  13.67 +/- 1.21   0.002% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB2   ASP-  76  21.03 +/- 0.92   0.000% *  0.2049% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  13.99 +/- 0.93   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  15.23 +/- 1.48   0.001% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  21.44 +/- 2.09   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB2   ASP-  76  21.50 +/- 1.06   0.000% *  0.0769% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  23.77 +/- 1.04   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  20.85 +/- 1.08   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  19.90 +/- 1.04   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  20.89 +/- 0.97   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  24.18 +/- 1.10   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  26.29 +/- 1.27   0.000% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.59, residual support = 115.7:
    * O T QD    LYS+  66 - QE    LYS+  66   2.11 +/- 0.03  99.658% * 98.3437% (1.00  10.0 10.00   3.59 115.71) = 100.000%  kept
          HG2   LYS+  65 - QE    LYS+  66   7.56 +/- 1.57   0.195% *  0.0714% (0.73   1.0  1.00   0.02  26.12) =   0.000%
        T HD2   LYS+ 121 - QE    LYS+  66  10.75 +/- 2.11   0.009% *  0.7875% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  66  10.60 +/- 2.54   0.017% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   7.58 +/- 0.90   0.066% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   ASP-  76   8.25 +/- 0.90   0.036% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76   9.34 +/- 0.92   0.016% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  15.74 +/- 2.05   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  66  15.76 +/- 0.86   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  16.25 +/- 1.39   0.001% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  16.68 +/- 0.70   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HB2   ASP-  76  22.17 +/- 0.88   0.000% *  0.2045% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  18.76 +/- 0.68   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  24.77 +/- 1.60   0.000% *  0.1637% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  19.51 +/- 1.96   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  21.96 +/- 0.68   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  23.74 +/- 0.74   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  25.79 +/- 1.34   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 35.5:
    * O T HB2   PRO   68 - HA    PRO   68   2.69 +/- 0.13  99.996% * 98.6006% (0.84  10.0 10.00   2.00  35.51) = 100.000%  kept
          HG3   GLU- 100 - HA    PRO   68  15.65 +/- 1.26   0.003% *  0.1059% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   24 - HA    PRO   68  24.15 +/- 1.89   0.000% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   68  18.69 +/- 1.59   0.001% *  0.1157% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (4.72, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 35.5:
    * O T HA    PRO   68 - HB2   PRO   68   2.69 +/- 0.13 100.000% * 99.1920% (0.84  10.0 10.00   2.00  35.51) = 100.000%  kept
        T HA    PRO   68 - HB    VAL   24  24.15 +/- 1.89   0.000% *  0.8080% (0.68   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 767 (2.11, 2.11, 31.99 ppm):
    2 diagonal assignments:
    *     HB2   PRO   68 - HB2   PRO   68  (0.70)  kept
          HB    VAL   24 - HB    VAL   24  (0.68)  kept
 
    Peak 768 (4.68, 4.68, 53.57 ppm):
    1 diagonal assignment:
    *     HA    ASN   69 - HA    ASN   69  (1.00)  kept
 
    Peak 769 (2.90, 4.68, 53.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 61.2:
    * O T HB2   ASN   69 - HA    ASN   69   2.57 +/- 0.17  99.948% * 99.7955% (1.00  10.0 10.00   3.63  61.21) = 100.000%  kept
          QE    LYS+  66 - HA    ASN   69  11.19 +/- 1.54   0.028% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   69  12.02 +/- 2.53   0.024% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   69  23.39 +/- 0.80   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  27.63 +/- 0.61   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 61.2:
    * O T HB3   ASN   69 - HA    ASN   69   2.63 +/- 0.26  99.946% * 99.7714% (1.00  10.0 10.00   3.31  61.21) = 100.000%  kept
          HB2   PHE   72 - HA    ASN   69   9.60 +/- 0.86   0.050% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASN   69  14.95 +/- 1.13   0.004% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    ASN   69  22.90 +/- 1.23   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (4.68, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 61.2:
    * O T HA    ASN   69 - HB2   ASN   69   2.57 +/- 0.17  99.996% * 99.8126% (1.00  10.0 10.00   3.63  61.21) = 100.000%  kept
          HA    VAL   43 - HB2   ASN   69  14.67 +/- 0.75   0.004% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB2   ASN   69  22.69 +/- 0.52   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 61.2:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.998% * 99.7714% (1.00  10.0 10.00   3.97  61.21) = 100.000%  kept
          HB2   PHE   72 - HB2   ASN   69  11.13 +/- 0.67   0.002% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  16.10 +/- 0.97   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  24.03 +/- 1.29   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (4.68, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 61.2:
    * O T HA    ASN   69 - HB3   ASN   69   2.63 +/- 0.26  99.995% * 99.8126% (1.00  10.0 10.00   3.31  61.21) = 100.000%  kept
          HA    VAL   43 - HB3   ASN   69  14.78 +/- 0.90   0.005% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB3   ASN   69  22.75 +/- 0.79   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (2.90, 2.81, 37.49 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 61.2:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  99.996% * 99.7955% (1.00  10.0 10.00   3.97  61.21) = 100.000%  kept
          QE    LYS+  66 - HB3   ASN   69  11.02 +/- 1.62   0.003% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  13.09 +/- 2.35   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  24.71 +/- 0.76   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  28.87 +/- 0.84   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (2.81, 2.81, 37.49 ppm):
    1 diagonal assignment:
    *     HB3   ASN   69 - HB3   ASN   69  (1.00)  kept
 
    Peak 777 (4.01, 4.01, 61.79 ppm):
    3 diagonal assignments:
    *     HA    VAL   70 - HA    VAL   70  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.29)  kept
          HA    SER   48 - HA    SER   48  (0.06)  kept
 
    Peak 778 (2.20, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 82.8:
    * O T HB    VAL   70 - HA    VAL   70   2.80 +/- 0.29  98.836% * 97.2460% (1.00  10.0 10.00   4.31  82.83) =  99.999%  kept
        T QG    GLN   17 - HA    VAL   70  10.03 +/- 0.96   0.054% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    SER   48   7.15 +/- 1.45   0.916% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    VAL   70  10.29 +/- 1.45   0.075% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    VAL   70  11.87 +/- 0.89   0.022% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   SER   82  11.30 +/- 0.83   0.029% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    VAL   70  11.37 +/- 0.82   0.029% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HA    SER   48  17.87 +/- 1.17   0.002% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  11.42 +/- 1.05   0.027% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB2   SER   82  23.25 +/- 1.45   0.000% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  16.33 +/- 1.02   0.003% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB2   SER   82  25.70 +/- 1.26   0.000% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HA    SER   48  23.28 +/- 1.27   0.000% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  20.73 +/- 0.52   0.001% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  18.28 +/- 0.83   0.001% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  19.14 +/- 1.29   0.001% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  21.14 +/- 0.67   0.001% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  26.50 +/- 1.55   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  28.39 +/- 1.50   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  30.59 +/- 1.27   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  32.53 +/- 0.58   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 0.997, support = 4.85, residual support = 80.9:
    * O T QG1   VAL   70 - HA    VAL   70   2.69 +/- 0.37  83.225% * 80.9821% (1.00  10.0 10.00   4.87  82.83) =  96.077%  kept
          QD1   LEU   71 - HA    VAL   70   4.86 +/- 1.30  16.592% * 16.5845% (0.92   1.0  1.00   4.44  32.57) =   3.923%  kept
        T QG1   VAL   18 - HA    VAL   70  10.39 +/- 0.80   0.032% *  0.7938% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    VAL   70   8.97 +/- 0.99   0.088% *  0.0458% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HA    SER   48  10.96 +/- 0.85   0.022% *  0.1808% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   70  11.59 +/- 1.76   0.020% *  0.0748% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HB2   SER   82  16.07 +/- 0.86   0.002% *  0.3847% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   70  11.88 +/- 1.12   0.014% *  0.0491% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HB2   SER   82  21.72 +/- 1.46   0.000% *  0.3924% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HA    SER   48  19.79 +/- 1.71   0.001% *  0.1845% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  123 - HA    SER   48  21.83 +/- 1.20   0.000% *  0.1703% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   SER   82  18.63 +/- 2.14   0.001% *  0.0362% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  18.61 +/- 1.52   0.001% *  0.0170% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    SER   48  18.94 +/- 1.28   0.001% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  24.71 +/- 1.40   0.000% *  0.0222% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  27.07 +/- 1.00   0.000% *  0.0362% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  26.22 +/- 1.16   0.000% *  0.0238% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  27.03 +/- 0.69   0.000% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.04 A, kept.
 
    Peak 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 82.8:
    * O T QG2   VAL   70 - HA    VAL   70   2.39 +/- 0.25  99.999% * 99.2926% (0.80  10.0 10.00   4.00  82.83) = 100.000%  kept
        T QG2   VAL   70 - HB2   SER   82  19.98 +/- 0.86   0.000% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   70 - HA    SER   48  18.90 +/- 0.96   0.000% *  0.2262% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (4.01, 2.20, 34.17 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 82.8:
    * O T HA    VAL   70 - HB    VAL   70   2.80 +/- 0.29  90.045% * 98.3567% (1.00  10.0 10.00   4.31  82.83) =  99.999%  kept
          HA    VAL   18 - QG    GLN   17   5.09 +/- 0.70   4.069% *  0.0125% (0.13   1.0  1.00   0.02  50.10) =   0.001%
          HA1   GLY   16 - QG    GLN   17   4.66 +/- 0.29   4.949% *  0.0036% (0.04   1.0  1.00   0.02  16.50) =   0.000%
          HA1   GLY   16 - HB    VAL   70   7.34 +/- 1.33   0.697% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - QG    GLN   17  10.03 +/- 0.96   0.049% *  0.1827% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB    VAL   70   9.18 +/- 0.94   0.121% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    VAL   70  10.91 +/- 1.41   0.040% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   70  15.36 +/- 1.51   0.005% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   70  14.78 +/- 1.12   0.005% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HB    VAL   70  25.70 +/- 1.26   0.000% *  0.5966% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   70  18.02 +/- 0.87   0.001% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HB    VAL   70  23.28 +/- 1.27   0.000% *  0.2453% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  17.87 +/- 1.17   0.002% *  0.0456% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  13.94 +/- 1.42   0.008% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  15.54 +/- 1.65   0.004% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG    GLN   17  23.25 +/- 1.45   0.000% *  0.1108% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  16.99 +/- 1.32   0.002% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  18.29 +/- 1.33   0.002% *  0.0183% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.27, residual support = 82.8:
    * O T QG1   VAL   70 - HB    VAL   70   2.13 +/- 0.01  99.041% * 99.3444% (1.00  10.0 10.00   5.27  82.83) =  99.999%  kept
          QD1   LEU   71 - HB    VAL   70   6.31 +/- 0.88   0.254% *  0.0917% (0.92   1.0  1.00   0.02  32.57) =   0.000%
          HB3   LEU   63 - HB    VAL   70   7.13 +/- 1.51   0.172% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - QG    GLN   17   8.59 +/- 1.16   0.036% *  0.1845% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG    GLN   17   5.63 +/- 0.56   0.351% *  0.0181% (0.18   1.0  1.00   0.02  50.10) =   0.000%
          QD1   LEU  123 - HB    VAL   70  10.06 +/- 1.88   0.019% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG    GLN   17   8.09 +/- 1.64   0.100% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL   70   9.99 +/- 0.97   0.013% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   70  11.58 +/- 1.45   0.005% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  10.75 +/- 1.01   0.007% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  13.77 +/- 1.41   0.002% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  19.42 +/- 1.13   0.000% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (0.19, 2.20, 34.17 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 82.8:
    * O T QG2   VAL   70 - HB    VAL   70   2.13 +/- 0.02  99.980% * 99.8146% (0.80  10.0 10.00   4.31  82.83) = 100.000%  kept
        T QG2   VAL   70 - QG    GLN   17   8.98 +/- 0.71   0.020% *  0.1854% (0.15   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 785 (4.01, 0.86, 24.07 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 82.8:
    * O T HA    VAL   70 - QG1   VAL   70   2.69 +/- 0.37  94.608% * 98.1637% (1.00  10.0 10.00   4.87  82.83) =  99.996%  kept
        T HA    VAL   18 - QG1   VAL   70   8.20 +/- 1.34   0.376% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.003%
          HA1   GLY   16 - QG1   VAL   70   6.51 +/- 1.58   4.848% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   37 - QG1   VAL   70   9.14 +/- 1.38   0.137% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   70  12.65 +/- 1.31   0.013% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   70  12.48 +/- 1.10   0.013% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   70  21.72 +/- 1.46   0.001% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   70  15.29 +/- 1.00   0.004% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   70  19.79 +/- 1.71   0.001% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.06 A, kept.
 
    Peak 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 82.8:
    * O T HB    VAL   70 - QG1   VAL   70   2.13 +/- 0.01  99.922% * 98.7774% (1.00  10.0 10.00   5.27  82.83) = 100.000%  kept
        T QG    GLN   17 - QG1   VAL   70   8.59 +/- 1.16   0.036% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QG1   VAL   70   9.94 +/- 1.42   0.015% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG1   VAL   70   9.65 +/- 1.44   0.018% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70  10.94 +/- 1.40   0.009% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  18.40 +/- 1.10   0.000% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  17.82 +/- 1.25   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.87, residual support = 82.8:
    * O T QG2   VAL   70 - QG1   VAL   70   2.08 +/- 0.04 100.000% *100.0000% (0.80  10.0 10.00   4.87  82.83) = 100.000%  kept
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (4.01, 0.19, 22.28 ppm):
    9 chemical-shift based assignments, quality = 0.536, support = 4.0, residual support = 82.8:
    * O T HA    VAL   70 - QG2   VAL   70   2.39 +/- 0.25  99.354% * 98.7631% (0.54  10.0 10.00   4.00  82.83) = 100.000%  kept
          HB2   SER   37 - QG2   VAL   70   8.51 +/- 1.29   0.320% *  0.0481% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QG2   VAL   70   7.75 +/- 0.77   0.124% *  0.0678% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG2   VAL   70   7.54 +/- 1.16   0.169% *  0.0195% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   70  11.32 +/- 1.05   0.022% *  0.0857% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   70  12.92 +/- 1.19   0.005% *  0.0988% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   70  13.73 +/- 0.79   0.005% *  0.0717% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG2   VAL   70  19.98 +/- 0.86   0.000% *  0.5990% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG2   VAL   70  18.90 +/- 0.96   0.000% *  0.2463% (0.13   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (2.20, 0.19, 22.28 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 4.31, residual support = 82.8:
    * O T HB    VAL   70 - QG2   VAL   70   2.13 +/- 0.02  99.888% * 98.7774% (0.54  10.0 10.00   4.31  82.83) = 100.000%  kept
        T QG    GLN   17 - QG2   VAL   70   8.98 +/- 0.71   0.020% *  0.9790% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QG2   VAL   70   8.21 +/- 1.07   0.038% *  0.0755% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   VAL   70   8.60 +/- 1.28   0.041% *  0.0305% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70  10.26 +/- 1.14   0.012% *  0.0195% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  16.86 +/- 0.65   0.000% *  0.0934% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  16.62 +/- 0.74   0.000% *  0.0246% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 791 (0.86, 0.19, 22.28 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.87, residual support = 82.8:
    * O T QG1   VAL   70 - QG2   VAL   70   2.08 +/- 0.04  98.456% * 99.6017% (0.54  10.0 10.00   4.87  82.83) =  99.999%  kept
          QD1   LEU   71 - QG2   VAL   70   4.80 +/- 0.68   1.136% *  0.0919% (0.50   1.0  1.00   0.02  32.57) =   0.001%
          HB3   LEU   63 - QG2   VAL   70   6.16 +/- 1.25   0.315% *  0.0564% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL   70   8.22 +/- 0.80   0.035% *  0.0976% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   70   8.98 +/- 1.38   0.025% *  0.0919% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG2   VAL   70   8.44 +/- 1.20   0.032% *  0.0604% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 792 (0.19, 0.19, 22.28 ppm):
    1 diagonal assignment:
    *     QG2   VAL   70 - QG2   VAL   70  (0.43)  kept
 
    Peak 793 (4.65, 4.65, 54.05 ppm):
    1 diagonal assignment:
    *     HA    LEU   71 - HA    LEU   71  (1.00)  kept
 
    Peak 794 (1.80, 4.65, 54.05 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 139.2:
    * O T HB2   LEU   71 - HA    LEU   71   2.90 +/- 0.24  99.448% * 99.5520% (1.00  10.0 10.00   5.31 139.15) = 100.000%  kept
          HB3   GLN   17 - HA    LEU   71   9.10 +/- 1.36   0.193% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU   71   8.19 +/- 1.26   0.252% *  0.0340% (0.34   1.0  1.00   0.02   4.31) =   0.000%
          QB    LYS+  65 - HA    LEU   71  10.78 +/- 0.52   0.044% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LEU   71  10.55 +/- 0.57   0.046% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   71  14.77 +/- 1.75   0.007% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  13.86 +/- 1.40   0.009% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   71  19.26 +/- 0.95   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (1.20, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 139.2:
    * O T HB3   LEU   71 - HA    LEU   71   2.58 +/- 0.13  99.993% * 99.6783% (1.00  10.0 10.00   4.31 139.15) = 100.000%  kept
          QG2   THR   94 - HA    LEU   71  13.48 +/- 0.64   0.005% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  18.11 +/- 0.83   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    LEU   71  24.18 +/- 2.15   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  23.52 +/- 2.30   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  23.41 +/- 1.79   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.07, residual support = 135.8:
    *   T QD1   LEU   71 - HA    LEU   71   3.19 +/- 0.62  85.946% * 81.5823% (1.00 10.00   4.05 139.15) =  96.875%  kept
          QG1   VAL   70 - HA    LEU   71   4.98 +/- 0.80  12.445% * 18.1720% (0.92  1.00   4.83  32.57) =   3.124%  kept
          QG1   VAL   18 - HA    LEU   71   7.69 +/- 0.60   0.588% *  0.0681% (0.84  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    LEU   71   9.33 +/- 1.67   0.921% *  0.0278% (0.34  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU   71  13.35 +/- 1.97   0.071% *  0.0816% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU   71  14.27 +/- 1.27   0.030% *  0.0681% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 797 (0.96, 4.65, 54.05 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 139.1:
    *   T QD2   LEU   71 - HA    LEU   71   2.22 +/- 0.46  93.878% * 99.6055% (1.00 10.00   5.00 139.15) =  99.997%  kept
          QD2   LEU   40 - HA    LEU   71   6.91 +/- 1.57   4.406% *  0.0409% (0.41  1.00   0.02   1.84) =   0.002%
          QD1   LEU   67 - HA    LEU   71   6.75 +/- 1.57   1.663% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HA    LEU   71  12.09 +/- 1.98   0.028% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LEU   71  12.92 +/- 1.13   0.010% *  0.0976% (0.98  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LEU   71  13.18 +/- 1.13   0.009% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    LEU   71  12.22 +/- 0.78   0.006% *  0.0684% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 5.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (4.65, 1.80, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 139.2:
    * O T HA    LEU   71 - HB2   LEU   71   2.90 +/- 0.24  99.438% * 99.9402% (1.00  10.0 10.00   5.31 139.15) = 100.000%  kept
          HA    VAL   43 - HB2   LEU   71   7.19 +/- 0.53   0.530% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB2   LEU   71  11.54 +/- 0.96   0.033% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 799 (1.80, 1.80, 44.15 ppm):
    1 diagonal assignment:
    *     HB2   LEU   71 - HB2   LEU   71  (1.00)  kept
 
    Peak 800 (1.20, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.2:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.999% * 99.6783% (1.00  10.0 10.00   4.97 139.15) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  12.69 +/- 0.48   0.001% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  16.93 +/- 0.64   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  24.67 +/- 2.54   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  23.91 +/- 2.89   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  23.13 +/- 2.07   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.2:
    * O T QD1   LEU   71 - HB2   LEU   71   2.32 +/- 0.13  99.249% * 99.6081% (1.00  10.0 10.00   4.97 139.15) =  99.999%  kept
          QG1   VAL   70 - HB2   LEU   71   5.72 +/- 0.66   0.633% *  0.0919% (0.92   1.0  1.00   0.02  32.57) =   0.001%
          QG1   VAL   18 - HB2   LEU   71   8.85 +/- 0.77   0.039% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU   71  10.28 +/- 2.07   0.064% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   71  13.94 +/- 2.57   0.009% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU   71  12.98 +/- 1.49   0.006% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 802 (0.96, 1.80, 44.15 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 139.1:
    * O T QD2   LEU   71 - HB2   LEU   71   3.20 +/- 0.02  85.470% * 99.6055% (1.00  10.0 10.00   5.44 139.15) =  99.993%  kept
          QD2   LEU   40 - HB2   LEU   71   5.70 +/- 1.49  13.325% *  0.0409% (0.41   1.0  1.00   0.02   1.84) =   0.006%
          QD1   LEU   67 - HB2   LEU   71   7.60 +/- 1.29   0.998% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB2   LEU   71  12.71 +/- 2.71   0.106% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LEU   71  11.33 +/- 0.77   0.045% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   71  11.77 +/- 0.99   0.036% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   71  13.15 +/- 0.85   0.020% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 803 (4.65, 1.20, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 139.2:
    * O T HA    LEU   71 - HB3   LEU   71   2.58 +/- 0.13  99.804% * 99.9402% (1.00  10.0 10.00   4.31 139.15) = 100.000%  kept
          HA    VAL   43 - HB3   LEU   71   7.70 +/- 0.92   0.178% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB3   LEU   71  11.24 +/- 1.18   0.017% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (1.80, 1.20, 44.15 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.2:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  99.963% * 99.3538% (1.00  10.0 10.00   4.97 139.15) = 100.000%  kept
          HB    VAL   41 - HB3   LEU   71   7.04 +/- 0.76   0.030% *  0.0339% (0.34   1.0  1.00   0.02   4.31) =   0.000%
        T HG12  ILE  103 - HB3   LEU   71  12.86 +/- 1.27   0.001% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   LEU   71  10.95 +/- 1.38   0.002% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  11.83 +/- 1.48   0.002% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   LEU   71  12.39 +/- 1.12   0.001% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  13.84 +/- 1.58   0.001% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  19.63 +/- 1.82   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.74, residual support = 138.6:
    * O T QD1   LEU   71 - HB3   LEU   71   2.90 +/- 0.41  97.266% * 81.5728% (1.00  10.0 10.00   3.73 139.15) =  99.484%  kept
          QG1   VAL   70 - HB3   LEU   71   5.98 +/- 0.64   2.262% * 18.1815% (0.92   1.0  1.00   4.83  32.57) =   0.516%  kept
          QG1   VAL   18 - HB3   LEU   71   8.59 +/- 0.75   0.216% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU   71  10.45 +/- 2.58   0.227% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB3   LEU   71  14.20 +/- 2.68   0.018% *  0.0816% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU   71  13.85 +/- 1.68   0.011% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 807 (0.96, 1.20, 44.15 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 139.1:
    * O T QD2   LEU   71 - HB3   LEU   71   2.40 +/- 0.14  98.031% * 99.6055% (1.00  10.0 10.00   4.44 139.15) =  99.999%  kept
          QD2   LEU   40 - HB3   LEU   71   6.44 +/- 1.52   1.736% *  0.0409% (0.41   1.0  1.00   0.02   1.84) =   0.001%
          QD1   LEU   67 - HB3   LEU   71   7.88 +/- 1.41   0.181% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB3   LEU   71  12.93 +/- 2.91   0.033% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB3   LEU   71  12.15 +/- 0.93   0.007% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB3   LEU   71  12.55 +/- 1.27   0.007% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LEU   71  12.99 +/- 0.89   0.004% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 808 (4.65, 0.86, 26.50 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.05, residual support = 139.2:
    *   T HA    LEU   71 - QD1   LEU   71   3.19 +/- 0.62  97.961% * 99.9402% (1.00 10.00   4.05 139.15) = 100.000%  kept
          HA    VAL   43 - QD1   LEU   71   7.15 +/- 1.19   1.845% *  0.0223% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD1   LEU   71   9.71 +/- 2.16   0.194% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 809 (1.80, 0.86, 26.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.2:
    * O T HB2   LEU   71 - QD1   LEU   71   2.32 +/- 0.13  99.435% * 99.5520% (1.00  10.0 10.00   4.97 139.15) = 100.000%  kept
          HB    VAL   41 - QD1   LEU   71   6.57 +/- 1.11   0.346% *  0.0340% (0.34   1.0  1.00   0.02   4.31) =   0.000%
          QB    LYS+  66 - QD1   LEU   71  10.09 +/- 2.01   0.121% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD1   LEU   71   9.40 +/- 1.54   0.056% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD1   LEU   71  10.59 +/- 1.43   0.021% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD1   LEU   71  11.82 +/- 1.63   0.009% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU   71  11.26 +/- 1.09   0.010% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD1   LEU   71  16.89 +/- 1.89   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 139.2:
    * O T HB3   LEU   71 - QD1   LEU   71   2.90 +/- 0.41  99.954% * 99.6783% (1.00  10.0 10.00   3.73 139.15) = 100.000%  kept
          QG2   THR   94 - QD1   LEU   71  11.50 +/- 1.00   0.035% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  15.13 +/- 1.23   0.007% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   LEU   71  21.23 +/- 3.11   0.001% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD1   LEU   71  20.61 +/- 3.57   0.002% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  20.18 +/- 2.60   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.09 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 = 4.17, residual support = 139.1:
    * O T QD2   LEU   71 - QD1   LEU   71   2.05 +/- 0.07  98.395% * 99.6055% (1.00  10.0 10.00   4.17 139.15) =  99.999%  kept
          QD2   LEU   40 - QD1   LEU   71   5.88 +/- 1.50   0.968% *  0.0409% (0.41   1.0  1.00   0.02   1.84) =   0.000%
          QG2   ILE  119 - QD1   LEU   71  11.04 +/- 3.22   0.261% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD1   LEU   71   6.93 +/- 1.59   0.358% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   LEU   71  10.58 +/- 0.80   0.006% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   LEU   71  11.32 +/- 1.85   0.007% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   LEU   71  10.91 +/- 1.22   0.006% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 813 (4.65, 0.96, 23.45 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 139.2:
    *   T HA    LEU   71 - QD2   LEU   71   2.22 +/- 0.46  99.654% * 99.9402% (1.00 10.00   5.00 139.15) = 100.000%  kept
          HA    VAL   43 - QD2   LEU   71   7.98 +/- 0.94   0.323% *  0.0223% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD2   LEU   71   9.44 +/- 0.86   0.024% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 814 (1.80, 0.96, 23.45 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 139.1:
    * O T HB2   LEU   71 - QD2   LEU   71   3.20 +/- 0.02  97.577% * 99.3538% (1.00  10.0 10.00   5.44 139.15) =  99.999%  kept
          HB3   GLN   17 - QD2   LEU   71   7.91 +/- 1.17   0.735% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU   71   9.74 +/- 1.86   0.876% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU   71   9.79 +/- 1.37   0.232% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU   71   7.85 +/- 0.67   0.522% *  0.0339% (0.34   1.0  1.00   0.02   4.31) =   0.000%
        T HG12  ILE  103 - QD2   LEU   71  12.77 +/- 1.08   0.029% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD2   LEU   71  13.18 +/- 1.31   0.024% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU   71  17.49 +/- 1.85   0.006% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 815 (1.20, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 139.2:
    * O T HB3   LEU   71 - QD2   LEU   71   2.40 +/- 0.14  99.990% * 99.2790% (1.00  10.0 10.00   4.44 139.15) = 100.000%  kept
          QG2   THR   94 - QD2   LEU   71  12.39 +/- 1.02   0.007% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD2   LEU   71  20.99 +/- 2.54   0.000% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD2   LEU   71  21.01 +/- 3.40   0.001% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD2   LEU   71  21.56 +/- 3.05   0.001% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  16.27 +/- 1.13   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.17, residual support = 139.1:
    * O T QD1   LEU   71 - QD2   LEU   71   2.05 +/- 0.07  97.977% * 99.6081% (1.00  10.0 10.00   4.17 139.15) =  99.999%  kept
          HB3   LEU   63 - QD2   LEU   71   9.19 +/- 2.74   1.573% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD2   LEU   71   5.48 +/- 0.66   0.368% *  0.0919% (0.92   1.0  1.00   0.02  32.57) =   0.000%
          QG1   VAL   18 - QD2   LEU   71   7.12 +/- 0.65   0.071% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU   71  12.15 +/- 2.50   0.009% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU   71  13.20 +/- 1.37   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 817 (0.96, 0.96, 23.45 ppm):
    1 diagonal assignment:
    *     QD2   LEU   71 - QD2   LEU   71  (1.00)  kept
 
    Peak 818 (5.27, 5.27, 56.60 ppm):
    1 diagonal assignment:
    *     HA    PHE   72 - HA    PHE   72  (0.58)  kept
 
    Peak 819 (2.83, 5.27, 56.60 ppm):
    3 chemical-shift based assignments, quality = 0.638, support = 4.07, residual support = 90.4:
    * O T HB2   PHE   72 - HA    PHE   72   2.95 +/- 0.15  96.741% * 99.8683% (0.64  10.0 10.00   4.07  90.37) =  99.997%  kept
          HA    ALA   64 - HA    PHE   72   5.68 +/- 0.63   3.221% *  0.0868% (0.55   1.0  1.00   0.02  39.24) =   0.003%
          HB3   ASN   69 - HA    PHE   72  11.05 +/- 0.69   0.038% *  0.0449% (0.29   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.28, 5.27, 56.60 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 4.59, residual support = 90.4:
    * O T HB3   PHE   72 - HA    PHE   72   2.73 +/- 0.24  97.765% * 99.4196% (0.66  10.0 10.00   4.59  90.37) =  99.998%  kept
          HB2   ASP-  44 - HA    PHE   72   5.56 +/- 0.59   1.951% *  0.1084% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - HA    PHE   72   8.49 +/- 1.37   0.234% *  0.1136% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    PHE   72  11.28 +/- 1.35   0.026% *  0.1058% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    PHE   72  12.38 +/- 1.22   0.013% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  16.41 +/- 0.73   0.002% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  14.26 +/- 0.90   0.006% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    PHE   72  19.41 +/- 1.18   0.001% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 4.07, residual support = 90.4:
    * O T HA    PHE   72 - HB2   PHE   72   2.95 +/- 0.15 100.000% *100.0000% (0.64  10.0 10.00   4.07  90.37) = 100.000%  kept
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (2.83, 2.83, 40.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   72 - HB2   PHE   72  (0.70)  kept
 
    Peak 823 (2.28, 2.83, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.725, support = 4.16, residual support = 90.4:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  99.883% * 99.4196% (0.72  10.0 10.00   4.16  90.37) = 100.000%  kept
          HB2   ASP-  44 - HB2   PHE   72   6.49 +/- 1.07   0.076% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   PHE   72   7.33 +/- 1.14   0.031% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   PHE   72   9.68 +/- 1.89   0.009% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   PHE   72  13.01 +/- 1.22   0.001% *  0.0514% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  17.68 +/- 1.11   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  18.13 +/- 1.36   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  15.06 +/- 0.93   0.000% *  0.0177% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 824 (5.27, 2.28, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 4.59, residual support = 90.4:
    * O T HA    PHE   72 - HB3   PHE   72   2.73 +/- 0.24 100.000% *100.0000% (0.66  10.0 10.00   4.59  90.37) = 100.000%  kept
    Distance limit 3.54 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 = 4.16, residual support = 90.4:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  99.437% * 99.8683% (0.72  10.0 10.00   4.16  90.37) = 100.000%  kept
          HA    ALA   64 - HB3   PHE   72   4.51 +/- 0.66   0.561% *  0.0868% (0.63   1.0  1.00   0.02  39.24) =   0.000%
          HB3   ASN   69 - HB3   PHE   72  11.25 +/- 1.05   0.002% *  0.0449% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 826 (2.28, 2.28, 40.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   72 - HB3   PHE   72  (0.75)  kept
 
    Peak 827 (5.57, 5.57, 52.40 ppm):
    1 diagonal assignment:
    *     HA    LEU   73 - HA    LEU   73  (1.00)  kept
 
    Peak 828 (1.70, 5.57, 52.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.5:
    * O T HB2   LEU   73 - HA    LEU   73   2.60 +/- 0.33  99.978% * 99.4108% (1.00  10.0 10.00   5.00 170.45) = 100.000%  kept
          QD    LYS+  99 - HA    LEU   73  15.41 +/- 0.90   0.003% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LEU   73  15.48 +/- 0.84   0.003% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    LEU   73  13.66 +/- 0.92   0.007% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU   73  16.99 +/- 0.99   0.002% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU   73  16.22 +/- 0.60   0.002% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  16.02 +/- 1.19   0.003% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  18.45 +/- 1.27   0.001% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  20.80 +/- 1.77   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  23.26 +/- 0.94   0.000% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.16, residual support = 170.5:
    * O T HB3   LEU   73 - HA    LEU   73   2.68 +/- 0.28  95.070% * 99.1728% (1.00  10.0 10.00   5.16 170.45) =  99.999%  kept
          HB3   LYS+  74 - HA    LEU   73   4.73 +/- 0.42   4.484% *  0.0174% (0.18   1.0  1.00   0.02  38.85) =   0.001%
          HB    VAL   42 - HA    LEU   73   7.12 +/- 0.45   0.350% *  0.0983% (0.99   1.0  1.00   0.02   1.11) =   0.000%
          HG3   LYS+  33 - HA    LEU   73  11.75 +/- 0.92   0.019% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   73  12.82 +/- 1.65   0.011% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LEU   73  11.64 +/- 1.09   0.020% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  11.90 +/- 1.43   0.019% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  12.40 +/- 0.45   0.011% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   73  14.88 +/- 1.09   0.005% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   73  16.33 +/- 0.63   0.002% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   73  14.05 +/- 0.55   0.005% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LEU   73  19.95 +/- 1.50   0.001% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LEU   73  22.88 +/- 1.44   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  18.33 +/- 1.88   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  19.43 +/- 1.52   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.4:
    *   T QD1   LEU   73 - HA    LEU   73   3.91 +/- 0.15  96.786% * 98.2281% (1.00 10.00   5.00 170.45) =  99.992%  kept
        T QD1   LEU   63 - HA    LEU   73   9.43 +/- 0.99   0.602% *  0.9823% (1.00 10.00   0.02   0.02) =   0.006%
          QD2   LEU   80 - HA    LEU   73   7.73 +/- 0.67   1.773% *  0.0787% (0.80  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HA    LEU   73  13.46 +/- 1.23   0.066% *  0.5561% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   73   9.91 +/- 1.14   0.481% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   73  10.97 +/- 1.29   0.254% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   73  15.03 +/- 1.68   0.038% *  0.0820% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.10 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 170.5:
    *   T QD2   LEU   73 - HA    LEU   73   2.49 +/- 0.55  99.317% * 99.4036% (1.00 10.00   6.19 170.45) = 100.000%  kept
          QG1   VAL   43 - HA    LEU   73   6.34 +/- 0.91   0.565% *  0.0276% (0.28  1.00   0.02   8.01) =   0.000%
          HG    LEU   31 - HA    LEU   73  10.16 +/- 0.80   0.035% *  0.0959% (0.97  1.00   0.02   1.37) =   0.000%
          QG1   VAL   41 - HA    LEU   73   8.89 +/- 1.24   0.074% *  0.0446% (0.45  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LEU   73  13.84 +/- 0.86   0.008% *  0.0891% (0.90  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LEU   73  19.36 +/- 1.42   0.001% *  0.3391% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.13 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 170.5:
    * O T HA    LEU   73 - HB2   LEU   73   2.60 +/- 0.33 100.000% *100.0000% (1.00  10.0 10.00   5.00 170.45) = 100.000%  kept
    Distance limit 4.07 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 = 5.16, residual support = 170.5:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  99.868% * 95.5463% (1.00  10.0 10.00   5.16 170.45) = 100.000%  kept
          HB    VAL   42 - HB2   LEU   73   6.92 +/- 0.89   0.045% *  0.0947% (0.99   1.0  1.00   0.02   1.11) =   0.000%
        T HG3   LYS+  33 - HB2   LEU   73  11.08 +/- 0.95   0.002% *  0.9221% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   LEU   73   5.97 +/- 0.42   0.070% *  0.0167% (0.18   1.0  1.00   0.02  38.85) =   0.000%
        T HG3   LYS+  65 - HB2   LEU   73  14.81 +/- 1.58   0.000% *  0.9470% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   LEU   73  15.22 +/- 1.36   0.000% *  0.8820% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73  10.37 +/- 2.16   0.008% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   LEU   73  10.32 +/- 1.66   0.004% *  0.0359% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   93 - HB2   LEU   73  14.19 +/- 1.10   0.000% *  0.3586% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   LEU   73  18.46 +/- 1.96   0.000% *  0.9533% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  11.31 +/- 0.87   0.002% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  15.97 +/- 1.67   0.000% *  0.0618% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   LEU   73  23.34 +/- 1.89   0.000% *  0.0937% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  18.15 +/- 2.40   0.000% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  20.03 +/- 1.70   0.000% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.58, 1.70, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.5:
    * O T QD1   LEU   73 - HB2   LEU   73   2.39 +/- 0.15  99.522% * 98.2281% (1.00  10.0 10.00   5.00 170.45) =  99.999%  kept
        T QD1   LEU   63 - HB2   LEU   73   9.97 +/- 1.52   0.043% *  0.9823% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   73   6.63 +/- 0.85   0.338% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   73  12.82 +/- 1.72   0.007% *  0.5561% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   73  10.49 +/- 1.59   0.033% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   73   9.43 +/- 1.47   0.055% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU   73  15.49 +/- 2.32   0.002% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 836 (0.78, 1.70, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.995, support = 6.17, residual support = 169.4:
    * O T QD2   LEU   73 - HB2   LEU   73   2.95 +/- 0.33  84.299% * 95.3368% (1.00  10.0 10.00   6.19 170.45) =  99.374%  kept
          QG1   VAL   43 - HB2   LEU   73   4.82 +/- 1.45  15.110% *  3.3482% (0.28   1.0  1.00   2.53   8.01) =   0.626%  kept
          HG    LEU   31 - HB2   LEU   73   8.23 +/- 0.91   0.232% *  0.0920% (0.97   1.0  1.00   0.02   1.37) =   0.000%
          QG1   VAL   41 - HB2   LEU   73   7.82 +/- 1.29   0.350% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   56 - HB2   LEU   73  14.32 +/- 1.26   0.008% *  0.8550% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB2   LEU   73  19.13 +/- 1.85   0.001% *  0.3252% (0.34   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 5.16, residual support = 170.5:
    * O T HA    LEU   73 - HB3   LEU   73   2.68 +/- 0.28 100.000% *100.0000% (1.00  10.0 10.00   5.16 170.45) = 100.000%  kept
    Distance limit 3.71 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 = 5.16, residual support = 170.5:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  99.998% * 98.2609% (1.00  10.0 10.00   5.16 170.45) = 100.000%  kept
        T QD    LYS+ 102 - HB3   LEU   73  16.93 +/- 1.63   0.000% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU   73  14.28 +/- 1.12   0.000% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU   73  14.77 +/- 1.35   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU   73  22.98 +/- 1.16   0.000% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  16.66 +/- 0.98   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  14.12 +/- 1.23   0.000% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  16.31 +/- 0.64   0.000% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  15.03 +/- 1.51   0.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  21.33 +/- 1.95   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.38, 1.38, 46.21 ppm):
    1 diagonal assignment:
    *     HB3   LEU   73 - HB3   LEU   73  (1.00)  kept
 
    Peak 840 (0.58, 1.38, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 170.4:
    * O T QD1   LEU   73 - HB3   LEU   73   2.34 +/- 0.15  99.602% * 97.5376% (1.00  10.0 10.00   5.15 170.45) =  99.997%  kept
        T QD2   LEU   80 - HB3   LEU   73   6.57 +/- 0.75   0.265% *  0.7810% (0.80   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   63 - HB3   LEU   73   9.85 +/- 1.63   0.047% *  0.9754% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   73  12.73 +/- 1.66   0.006% *  0.5522% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   LEU   73  10.37 +/- 1.65   0.037% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   73   9.34 +/- 1.30   0.040% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   73  15.41 +/- 2.17   0.003% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.38, residual support = 170.4:
    * O T QD2   LEU   73 - HB3   LEU   73   2.75 +/- 0.35  84.797% * 99.1570% (1.00  10.0 10.00   6.39 170.45) =  99.952%  kept
        T QG1   VAL   43 - HB3   LEU   73   4.63 +/- 1.29  14.673% *  0.2757% (0.28   1.0 10.00   0.02   8.01) =   0.048%
          HG    LEU   31 - HB3   LEU   73   8.24 +/- 0.87   0.182% *  0.0957% (0.97   1.0  1.00   0.02   1.37) =   0.000%
          QG1   VAL   41 - HB3   LEU   73   7.75 +/- 1.44   0.342% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   73  14.24 +/- 0.95   0.005% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB3   LEU   73  18.98 +/- 1.65   0.001% *  0.3382% (0.34   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 170.4:
    *   T HA    LEU   73 - QD1   LEU   73   3.91 +/- 0.15  99.313% * 98.7705% (1.00 10.00   5.00 170.45) =  99.994%  kept
        T HA    LEU   73 - QD1   LEU   63   9.43 +/- 0.99   0.618% *  0.9877% (1.00 10.00   0.02   0.02) =   0.006%
        T HA    LEU   73 - QD1   LEU  104  13.46 +/- 1.23   0.068% *  0.2418% (0.24 10.00   0.02   0.02) =   0.000%
    Distance limit 4.82 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 = 0.937, support = 4.76, residual support = 159.8:
    * O T HB2   LEU   73 - QD1   LEU   73   2.39 +/- 0.15  29.947% * 92.0941% (1.00  10.0 10.00   5.00 170.45) =  93.024%  kept
        T HB3   LYS+  99 - QD1   LEU  104   2.26 +/- 0.32  43.143% *  3.7540% (0.05   1.0 10.00   1.50  17.12) =   5.463%  kept
          QD    LYS+  99 - QD1   LEU  104   2.65 +/- 0.58  24.772% *  1.8062% (0.23   1.0  1.00   1.74  17.12) =   1.509%  kept
          HB2   LEU  123 - QD1   LEU   63   8.95 +/- 1.89   1.599% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   LEU   73 - QD1   LEU   63   9.97 +/- 1.52   0.015% *  0.9209% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU   63   5.24 +/- 0.68   0.375% *  0.0284% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   63   9.03 +/- 1.10   0.013% *  0.0871% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   63   8.99 +/- 1.20   0.015% *  0.0559% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  104   7.99 +/- 0.70   0.028% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  104   6.86 +/- 0.85   0.062% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU  104  12.82 +/- 1.72   0.002% *  0.2254% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   63  10.97 +/- 1.38   0.005% *  0.0889% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   63  10.85 +/- 0.96   0.003% *  0.0850% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   73  11.83 +/- 1.04   0.003% *  0.0871% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   73  11.44 +/- 0.77   0.003% *  0.0850% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   63  11.97 +/- 1.15   0.002% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  12.84 +/- 1.19   0.002% *  0.0379% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  11.46 +/- 0.87   0.003% *  0.0205% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  11.63 +/- 1.13   0.002% *  0.0205% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   73  15.16 +/- 0.59   0.001% *  0.0889% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  11.46 +/- 1.25   0.003% *  0.0146% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU   73  13.14 +/- 1.01   0.001% *  0.0284% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   73  15.09 +/- 0.56   0.001% *  0.0559% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  14.41 +/- 0.86   0.001% *  0.0379% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  18.45 +/- 1.53   0.000% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  13.46 +/- 1.03   0.001% *  0.0070% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   73  20.21 +/- 1.06   0.000% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  17.27 +/- 1.59   0.000% *  0.0202% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  17.64 +/- 1.04   0.000% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  17.02 +/- 1.06   0.000% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 170.4:
    * O T HB3   LEU   73 - QD1   LEU   73   2.34 +/- 0.15  91.748% * 96.9771% (1.00  10.0 10.00   5.15 170.45) =  99.997%  kept
          HB    VAL   42 - QD1   LEU   63   6.77 +/- 1.34   0.800% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD1   LEU   73   5.61 +/- 0.36   0.530% *  0.0961% (0.99   1.0  1.00   0.02   1.11) =   0.001%
        T HB3   LEU   73 - QD1   LEU   63   9.85 +/- 1.63   0.042% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU  104   4.82 +/- 0.86   2.477% *  0.0089% (0.09   1.0  1.00   0.02   8.93) =   0.000%
          HG3   LYS+  33 - QD1   LEU   73   7.50 +/- 0.98   0.137% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104   6.80 +/- 1.91   2.076% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU   73   7.29 +/- 0.97   0.173% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   7.45 +/- 1.19   0.140% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   73   7.47 +/- 1.29   0.194% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   63   8.48 +/- 0.45   0.048% *  0.0961% (0.99   1.0  1.00   0.02   1.46) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.04 +/- 1.08   0.706% *  0.0059% (0.06   1.0  1.00   0.02   8.93) =   0.000%
          HG3   LYS+ 102 - QD1   LEU  104   7.01 +/- 0.85   0.174% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   9.14 +/- 1.28   0.036% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU  104   7.76 +/- 1.08   0.121% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   73   6.85 +/- 0.27   0.159% *  0.0170% (0.18   1.0  1.00   0.02  38.85) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.33 +/- 0.50   0.109% *  0.0219% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63   7.71 +/- 1.25   0.155% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD1   LEU  104  12.73 +/- 1.66   0.006% *  0.2374% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   63  10.89 +/- 0.80   0.011% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU   63   9.98 +/- 0.93   0.021% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73   9.72 +/- 0.56   0.021% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  10.05 +/- 1.32   0.025% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.51 +/- 1.39   0.028% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.42 +/- 0.72   0.004% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   73  13.82 +/- 1.36   0.003% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   63  10.49 +/- 1.06   0.016% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   73  13.84 +/- 1.09   0.003% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   73  13.32 +/- 1.45   0.004% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  12.53 +/- 1.07   0.005% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  15.71 +/- 1.37   0.001% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  13.22 +/- 0.66   0.003% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   63  16.28 +/- 1.03   0.001% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  13.62 +/- 1.22   0.003% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  10.50 +/- 1.17   0.013% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  17.03 +/- 1.31   0.001% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  15.98 +/- 1.23   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  15.22 +/- 1.74   0.002% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   73  20.73 +/- 1.20   0.000% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.96 +/- 1.35   0.001% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.43 +/- 0.97   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  15.37 +/- 0.94   0.001% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  18.35 +/- 0.81   0.000% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  18.21 +/- 1.57   0.001% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  16.50 +/- 1.20   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 845 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
    *     QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
          QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 846 (0.78, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 0.996, support = 6.17, residual support = 169.8:
    * O T QD2   LEU   73 - QD1   LEU   73   2.03 +/- 0.07  77.449% * 95.2110% (1.00  10.0 10.00   6.19 170.45) =  99.588%  kept
          QG1   VAL   43 - QD1   LEU   73   3.05 +/- 0.86  20.145% *  1.4857% (0.28   1.0  1.00   1.12   8.01) =   0.404%
        T QG1   VAL   41 - QD1   LEU   73   4.86 +/- 1.02   0.926% *  0.4269% (0.45   1.0 10.00   0.02   0.02) =   0.005%
          HG    LEU   31 - QD1   LEU   73   4.76 +/- 0.61   0.658% *  0.0919% (0.97   1.0  1.00   0.02   1.37) =   0.001%
          QD1   ILE   56 - QD1   LEU   63   5.48 +/- 0.98   0.433% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD1   LEU   63   8.02 +/- 0.86   0.027% *  0.9521% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU  104   6.48 +/- 1.30   0.124% *  0.1045% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU  104   6.61 +/- 1.11   0.141% *  0.0795% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   63   8.67 +/- 1.23   0.021% *  0.3248% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63  10.13 +/- 0.99   0.006% *  0.4269% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD1   LEU  104   9.87 +/- 0.88   0.007% *  0.2331% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.92 +/- 0.90   0.028% *  0.0265% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   7.91 +/- 1.00   0.029% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   73  15.94 +/- 1.20   0.000% *  0.3248% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   73  13.13 +/- 0.95   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU   63  14.39 +/- 1.10   0.001% *  0.0919% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU  104  12.23 +/- 1.28   0.002% *  0.0225% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  13.04 +/- 0.99   0.001% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 847 (5.57, 0.78, 24.39 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 170.5:
    *   T HA    LEU   73 - QD2   LEU   73   2.49 +/- 0.55  99.999% * 99.6602% (1.00 10.00   6.19 170.45) = 100.000%  kept
        T HA    LEU   73 - HG3   LYS+ 121  19.36 +/- 1.42   0.001% *  0.3398% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.08 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 170.5:
    * O T HB2   LEU   73 - QD2   LEU   73   2.95 +/- 0.33  99.094% * 98.3218% (1.00  10.0 10.00   6.19 170.45) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.38 +/- 0.67   0.237% *  0.2169% (0.22   1.0 10.00   0.02   2.19) =   0.001%
        T QG1   ILE   56 - QD2   LEU   73  12.17 +/- 1.08   0.028% *  0.3035% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 121   9.41 +/- 1.21   0.180% *  0.0310% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 121   9.11 +/- 1.29   0.163% *  0.0317% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU   73  12.14 +/- 1.63   0.046% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU   73  11.22 +/- 0.59   0.037% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+ 121  12.97 +/- 0.95   0.018% *  0.1035% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU   73  14.99 +/- 1.50   0.009% *  0.0949% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD2   LEU   73  11.50 +/- 0.79   0.034% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  10.54 +/- 1.20   0.089% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.50 +/- 1.32   0.011% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 121  19.13 +/- 1.85   0.002% *  0.3353% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.60 +/- 0.87   0.014% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  15.42 +/- 1.81   0.009% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  17.03 +/- 1.58   0.004% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  13.37 +/- 1.42   0.018% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU   73  19.71 +/- 1.68   0.002% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  17.60 +/- 1.92   0.003% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  19.06 +/- 1.55   0.002% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.38, 0.78, 24.39 ppm):
    30 chemical-shift based assignments, quality = 0.93, support = 6.34, residual support = 180.2:
    * O T HB3   LEU   73 - QD2   LEU   73   2.75 +/- 0.35  39.371% * 89.5677% (1.00  10.0 10.00   6.39 170.45) =  92.619%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.55 +/- 0.29  57.272% *  4.7126% (0.05  10.0 10.00   5.98 314.85) =   7.089%  kept
          HB    VAL   42 - QD2   LEU   73   4.59 +/- 0.59   2.537% *  4.3816% (0.99   1.0  1.00   0.99   1.11) =   0.292%
          HG3   LYS+  33 - QD2   LEU   73   8.03 +/- 1.35   0.101% *  0.0864% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   73   5.99 +/- 0.43   0.409% *  0.0157% (0.18   1.0  1.00   0.02  38.85) =   0.000%
          QB    LEU   98 - QD2   LEU   73   8.00 +/- 0.73   0.076% *  0.0336% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   73   8.26 +/- 1.22   0.089% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 121   8.86 +/- 1.23   0.058% *  0.0282% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   73  11.75 +/- 1.05   0.006% *  0.0888% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   73  12.41 +/- 1.68   0.009% *  0.0579% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   73  12.65 +/- 1.37   0.004% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   73  10.67 +/- 1.00   0.012% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - QD2   LEU   73  14.48 +/- 1.72   0.002% *  0.1382% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   73  14.64 +/- 1.34   0.002% *  0.0894% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   73  12.61 +/- 1.33   0.005% *  0.0336% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121   9.71 +/- 0.85   0.025% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HG3   LYS+ 121  18.98 +/- 1.65   0.000% *  0.3054% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG3   LYS+ 121  13.14 +/- 1.49   0.003% *  0.0303% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  11.55 +/- 1.00   0.007% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 121  14.59 +/- 1.90   0.002% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  12.68 +/- 1.34   0.004% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  16.15 +/- 0.93   0.001% *  0.0299% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   73  19.71 +/- 1.36   0.000% *  0.0878% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  15.76 +/- 1.39   0.001% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  18.36 +/- 1.91   0.001% *  0.0303% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  16.27 +/- 1.47   0.001% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  23.02 +/- 1.81   0.000% *  0.0295% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  19.79 +/- 1.23   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  25.30 +/- 2.16   0.000% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  21.85 +/- 1.65   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 170.5:
    * O T QD1   LEU   73 - QD2   LEU   73   2.03 +/- 0.07  99.508% * 97.3141% (1.00  10.0 10.00   6.19 170.45) =  99.999%  kept
        T QD1   LEU   63 - QD2   LEU   73   8.02 +/- 0.86   0.035% *  0.9731% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HG3   LYS+ 121   6.61 +/- 1.11   0.181% *  0.1879% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HG3   LYS+ 121   8.67 +/- 1.23   0.025% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU   73   6.76 +/- 0.54   0.092% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QD2   LEU   73   9.87 +/- 0.88   0.009% *  0.5509% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU   73   8.10 +/- 0.88   0.033% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121   7.73 +/- 1.61   0.086% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU   73   8.90 +/- 1.01   0.020% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121   9.83 +/- 0.46   0.008% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU   73  12.93 +/- 1.43   0.002% *  0.0813% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG3   LYS+ 121  15.94 +/- 1.20   0.000% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  19.94 +/- 1.18   0.000% *  0.0266% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  20.71 +/- 1.30   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 851 (0.78, 0.78, 24.39 ppm):
    2 diagonal assignments:
    *     QD2   LEU   73 - QD2   LEU   73  (1.00)  kept
          HG3   LYS+ 121 - HG3   LYS+ 121  (0.12)  kept
 
    Peak 852 (4.94, 4.94, 55.14 ppm):
    1 diagonal assignment:
    *     HA    LYS+  74 - HA    LYS+  74  (0.64)  kept
 
    Peak 853 (1.48, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 186.8:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.72 +/- 0.10  99.847% * 99.4757% (0.64  10.0 10.00   6.31 186.82) = 100.000%  kept
          QG2   THR   26 - HA    LYS+  74   8.49 +/- 0.29   0.112% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LYS+  74  13.10 +/- 1.68   0.013% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  74  14.52 +/- 0.70   0.005% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+  74  16.28 +/- 1.63   0.003% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+  74  14.01 +/- 1.11   0.007% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  74  13.90 +/- 0.85   0.006% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+  74  17.49 +/- 0.51   0.001% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  14.68 +/- 0.99   0.004% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  18.05 +/- 1.63   0.001% *  0.0466% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.04 A, kept.
 
    Peak 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 186.8:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.30 +/- 0.20  99.908% * 99.1206% (0.80  10.0 10.00   6.28 186.82) = 100.000%  kept
          HG13  ILE   19 - HA    LYS+  74   8.81 +/- 0.40   0.036% *  0.0915% (0.74   1.0  1.00   0.02   8.69) =   0.000%
          QG2   ILE   56 - HA    LYS+  74   9.77 +/- 1.83   0.033% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+  74  11.94 +/- 0.74   0.006% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+  74  11.50 +/- 0.52   0.007% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  74  12.75 +/- 0.68   0.004% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    LYS+  74  12.74 +/- 0.53   0.004% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HA    LYS+  74  18.88 +/- 0.92   0.000% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+  74  18.72 +/- 1.08   0.000% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  21.81 +/- 0.83   0.000% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.788, support = 5.56, residual support = 183.3:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.52 +/- 0.07  76.891% * 92.2584% (0.80  10.0 10.00   5.57 186.82) =  97.714%  kept
          HB    VAL   75 - HA    LYS+  74   4.41 +/- 0.47  22.627% *  7.3330% (0.25   1.0  1.00   5.15  31.84) =   2.286%  kept
          QD2   LEU   71 - HA    LYS+  74   9.61 +/- 0.80   0.234% *  0.0634% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    LYS+  74  11.06 +/- 1.15   0.106% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    LYS+  74  12.15 +/- 1.08   0.058% *  0.0827% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LYS+  74  13.90 +/- 0.56   0.021% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LYS+  74  12.91 +/- 0.69   0.033% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LYS+  74  13.35 +/- 1.13   0.029% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.38 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 186.8:
    *   T HD2   LYS+  74 - HA    LYS+  74   2.98 +/- 0.51  99.773% * 99.2156% (0.80 10.00   5.91 186.82) = 100.000%  kept
          QB    ALA   57 - HA    LYS+  74  10.11 +/- 1.05   0.119% *  0.0861% (0.69  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  74  10.80 +/- 0.87   0.069% *  0.0483% (0.39  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LYS+  74  13.26 +/- 1.20   0.020% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LYS+  74  14.10 +/- 0.74   0.012% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  74  20.17 +/- 0.67   0.001% *  0.3384% (0.27 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  74  18.13 +/- 0.99   0.003% *  0.0602% (0.49  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LYS+  74  20.73 +/- 0.96   0.001% *  0.0829% (0.67  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  21.74 +/- 1.68   0.001% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.21 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 186.8:
    *   T QE    LYS+  74 - HA    LYS+  74   2.40 +/- 0.46  99.659% * 99.7560% (0.80 10.00   4.93 186.82) = 100.000%  kept
          HB2   PHE   72 - HA    LYS+  74   7.06 +/- 0.61   0.296% *  0.0308% (0.25  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    LYS+  74  10.59 +/- 1.27   0.032% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  74  11.71 +/- 0.69   0.012% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    LYS+  74  17.46 +/- 0.74   0.001% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.08 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 186.8:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.72 +/- 0.10  99.985% * 99.8966% (0.64  10.0 10.00   6.31 186.82) = 100.000%  kept
          HA    THR   94 - HB2   LYS+  74  12.82 +/- 0.58   0.009% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LYS+  74  14.34 +/- 1.22   0.005% *  0.0278% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 186.8:
    * O T HG2   LYS+  74 - HB2   LYS+  74   3.02 +/- 0.03  99.485% * 99.1206% (0.80  10.0 10.00   5.85 186.82) = 100.000%  kept
          HG13  ILE   19 - HB2   LYS+  74   7.86 +/- 0.78   0.384% *  0.0915% (0.74   1.0  1.00   0.02   8.69) =   0.000%
          HG    LEU   71 - HB2   LYS+  74  12.39 +/- 0.77   0.023% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  74  10.73 +/- 1.63   0.070% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  74  13.15 +/- 0.84   0.016% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  74  14.33 +/- 0.72   0.009% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+  74  13.86 +/- 0.68   0.011% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB2   LYS+  74  20.77 +/- 0.89   0.001% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+  74  20.21 +/- 1.25   0.001% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  22.75 +/- 1.06   0.001% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.10 A, kept.
 
    Peak 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 186.8:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.68 +/- 0.08  99.296% * 97.9320% (0.80  10.0 10.00   5.27 186.82) =  99.999%  kept
        T QD1   LEU   67 - HB2   LYS+  74  11.60 +/- 1.45   0.023% *  0.9040% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  74   6.44 +/- 0.58   0.611% *  0.0302% (0.25   1.0  1.00   0.02  31.84) =   0.000%
        T QD2   LEU   40 - HB2   LYS+  74  13.43 +/- 1.26   0.008% *  0.8783% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   LYS+  74   9.70 +/- 0.75   0.050% *  0.0673% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LYS+  74  15.88 +/- 0.60   0.002% *  0.0960% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LYS+  74  14.90 +/- 0.67   0.004% *  0.0554% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  74  14.15 +/- 1.13   0.005% *  0.0368% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (1.64, 1.48, 36.69 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 6.31, residual support = 186.8:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.26 +/- 0.36  99.956% * 97.4681% (0.80  10.0 10.00   6.31 186.82) = 100.000%  kept
        T QD    LYS+  65 - HB2   LYS+  74  12.50 +/- 1.23   0.008% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LYS+  74  10.10 +/- 1.05   0.026% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+  74  12.43 +/- 1.04   0.006% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HB2   LYS+  74  19.82 +/- 1.02   0.000% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HB2   LYS+  74  13.99 +/- 0.98   0.003% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   LYS+  74  22.64 +/- 0.96   0.000% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+  74  21.09 +/- 0.89   0.000% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  22.70 +/- 1.78   0.000% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (2.80, 1.48, 36.69 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 186.8:
    *   T QE    LYS+  74 - HB2   LYS+  74   3.12 +/- 0.55  98.521% * 99.7560% (0.80 10.00   4.62 186.82) =  99.999%  kept
          HB2   PHE   72 - HB2   LYS+  74   7.01 +/- 0.92   1.321% *  0.0308% (0.25  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   LYS+  74  10.67 +/- 1.50   0.094% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+  74  11.74 +/- 1.04   0.060% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   LYS+  74  17.77 +/- 0.92   0.004% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 864 (4.94, 1.24, 25.23 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 186.8:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.30 +/- 0.20  99.934% * 99.7790% (0.80  10.0 10.00   6.28 186.82) = 100.000%  kept
          HA    THR   94 - HG2   LYS+  74  10.91 +/- 0.63   0.010% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   94 - HG3   LYS+ 111   9.62 +/- 1.27   0.032% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  12.04 +/- 1.49   0.009% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  10.68 +/- 1.72   0.015% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - HG3   LYS+ 111  18.88 +/- 0.92   0.000% *  0.1066% (0.09   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 865 (1.48, 1.24, 25.23 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 186.8:
    * O T HB2   LYS+  74 - HG2   LYS+  74   3.02 +/- 0.03  98.291% * 99.3145% (0.80  10.0 10.00   5.85 186.82) = 100.000%  kept
          QG2   THR   26 - HG2   LYS+  74   9.54 +/- 0.32   0.101% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 111   8.21 +/- 1.50   0.557% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+  74  12.84 +/- 2.41   0.039% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   7.43 +/- 1.22   0.914% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+  74  16.18 +/- 1.13   0.005% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG2   LYS+  74  16.06 +/- 1.72   0.006% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  11.72 +/- 1.18   0.038% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG2   LYS+  74  14.92 +/- 1.59   0.009% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG2   LYS+  74  17.80 +/- 0.95   0.002% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG2   LYS+  74  14.57 +/- 1.15   0.009% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  15.58 +/- 1.21   0.006% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG3   LYS+ 111  20.77 +/- 0.89   0.001% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  18.91 +/- 1.93   0.002% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  13.88 +/- 2.08   0.017% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  23.13 +/- 1.86   0.001% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  21.36 +/- 1.34   0.001% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  20.98 +/- 2.39   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  23.57 +/- 0.90   0.000% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  21.29 +/- 1.78   0.001% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.23 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 = 186.8:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  99.858% * 99.3075% (1.00  10.0 10.00   4.54 186.82) = 100.000%  kept
          HB    VAL   75 - HG2   LYS+  74   5.53 +/- 0.68   0.133% *  0.0307% (0.31   1.0  1.00   0.02  31.84) =   0.000%
          QD2   LEU   71 - HG2   LYS+  74  10.83 +/- 1.11   0.003% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG2   LYS+  74  11.80 +/- 1.43   0.002% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG2   LYS+  74  13.58 +/- 1.30   0.001% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  15.15 +/- 0.74   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  13.54 +/- 1.33   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  14.28 +/- 0.79   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  13.43 +/- 1.42   0.001% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  19.86 +/- 0.84   0.000% *  0.1061% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  12.11 +/- 0.93   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  20.99 +/- 2.54   0.000% *  0.0729% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  14.76 +/- 2.00   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  16.51 +/- 2.39   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  17.54 +/- 1.45   0.000% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  18.63 +/- 1.53   0.000% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 868 (1.64, 1.24, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.916, support = 5.53, residual support = 198.8:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.87 +/- 0.19  46.595% * 89.4618% (1.00  10.0 10.00   5.54 186.82) =  90.737%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.80 +/- 0.24  53.283% *  7.9861% (0.09  10.0 10.00   5.40 315.72) =   9.263%  kept
          QB    ALA   57 - HG2   LYS+  74   8.99 +/- 1.17   0.082% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  12.95 +/- 1.79   0.009% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  15.58 +/- 0.79   0.002% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.76 +/- 1.01   0.011% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  20.62 +/- 0.95   0.000% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  12.16 +/- 1.01   0.010% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.86 +/- 0.94   0.000% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  19.01 +/- 1.11   0.001% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.94 +/- 1.51   0.001% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  13.92 +/- 1.25   0.004% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.37 +/- 1.16   0.000% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  22.20 +/- 1.93   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  18.50 +/- 1.66   0.001% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  28.10 +/- 1.57   0.000% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  27.97 +/- 1.85   0.000% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.89 +/- 1.33   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 869 (2.80, 1.24, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.8:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.40 +/- 0.54  99.475% * 99.6238% (1.00  10.0 10.00   4.54 186.82) = 100.000%  kept
          QB    CYS   50 - HG2   LYS+  74   9.10 +/- 1.49   0.161% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG2   LYS+  74   8.04 +/- 1.14   0.314% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+  74  10.76 +/- 1.34   0.040% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - HG3   LYS+ 111  15.64 +/- 1.03   0.002% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG2   LYS+  74  18.69 +/- 1.31   0.001% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+ 111  14.52 +/- 1.28   0.006% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  21.13 +/- 1.64   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  22.73 +/- 1.30   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  26.15 +/- 2.25   0.000% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (4.94, 0.98, 25.23 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.57, residual support = 186.8:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.52 +/- 0.07  99.893% * 99.8966% (0.80  10.0 10.00   5.57 186.82) = 100.000%  kept
          HA    THR   94 - HG3   LYS+  74  12.40 +/- 0.67   0.056% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+  74  13.04 +/- 1.45   0.052% *  0.0278% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 186.8:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.68 +/- 0.08  99.916% * 98.5261% (0.80  10.0 10.00   5.27 186.82) = 100.000%  kept
          QG2   THR   26 - HG3   LYS+  74   9.64 +/- 0.33   0.048% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HG3   LYS+  74  16.81 +/- 1.81   0.002% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+  74  12.44 +/- 2.48   0.023% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HG3   LYS+  74  16.60 +/- 1.13   0.002% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+  74  17.04 +/- 1.07   0.002% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  74  15.38 +/- 1.54   0.003% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  74  18.48 +/- 0.97   0.001% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  15.47 +/- 1.25   0.003% *  0.0215% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  20.01 +/- 1.90   0.001% *  0.0462% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 872 (1.24, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.8:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  99.989% * 99.1206% (1.00  10.0 10.00   4.54 186.82) = 100.000%  kept
          HG13  ILE   19 - HG3   LYS+  74   9.60 +/- 0.89   0.005% *  0.0915% (0.92   1.0  1.00   0.02   8.69) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74   9.75 +/- 1.55   0.005% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   LYS+  74  14.16 +/- 1.18   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  13.63 +/- 0.92   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  14.60 +/- 0.77   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  13.84 +/- 0.60   0.000% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   LYS+  74  19.86 +/- 0.84   0.000% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  21.57 +/- 1.36   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  24.56 +/- 0.99   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 873 (0.98, 0.98, 25.23 ppm):
    1 diagonal assignment:
    *     HG3   LYS+  74 - HG3   LYS+  74  (1.00)  kept
 
    Peak 874 (1.64, 0.98, 25.23 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.8:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.84 +/- 0.12  99.786% * 99.2156% (1.00  10.0 10.00   4.97 186.82) = 100.000%  kept
          QB    ALA   57 - HG3   LYS+  74   8.82 +/- 1.25   0.170% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+  74  12.45 +/- 1.87   0.026% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  74  12.95 +/- 0.96   0.013% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HG3   LYS+  74  15.82 +/- 0.82   0.004% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+  74  22.64 +/- 0.90   0.000% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  74  20.02 +/- 1.45   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+  74  21.75 +/- 0.96   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  22.80 +/- 1.94   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (2.80, 0.98, 25.23 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 186.8:
    * O T QE    LYS+  74 - HG3   LYS+  74   3.15 +/- 0.30  99.134% * 99.7560% (1.00  10.0 10.00   4.00 186.82) = 100.000%  kept
          QB    CYS   50 - HG3   LYS+  74   8.96 +/- 1.62   0.287% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+  74   8.29 +/- 0.91   0.497% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+  74  10.82 +/- 1.08   0.079% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+  74  19.07 +/- 1.13   0.003% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 876 (4.94, 1.64, 30.09 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 186.8:
    *   T HA    LYS+  74 - HD2   LYS+  74   2.98 +/- 0.51  99.940% * 99.6012% (0.80 10.00   5.91 186.82) = 100.000%  kept
          HA    THR   94 - HD2   LYS+  74  11.47 +/- 1.05   0.036% *  0.0754% (0.61  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HD2   LYS+  74  12.82 +/- 1.36   0.021% *  0.0277% (0.22  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - QD    LYS+  38  20.17 +/- 0.67   0.001% *  0.2184% (0.18 10.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  22.15 +/- 0.83   0.001% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  27.89 +/- 0.73   0.000% *  0.0607% (0.05 10.00   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 0.801, support = 6.31, residual support = 186.8:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.26 +/- 0.36  99.896% * 98.0482% (0.80  10.0 10.00   6.31 186.82) = 100.000%  kept
        T HG2   LYS+  65 - HD2   LYS+  74  11.78 +/- 1.63   0.009% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+  74   9.82 +/- 0.33   0.022% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.93 +/- 0.72   0.034% *  0.0241% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD2   LYS+  74  18.64 +/- 1.76   0.001% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+  74  15.86 +/- 1.58   0.002% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+  74  15.84 +/- 1.31   0.002% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38   9.84 +/- 0.73   0.020% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+  74  14.17 +/- 1.48   0.003% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+  74  14.44 +/- 1.27   0.004% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+  74  17.44 +/- 1.07   0.001% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  18.20 +/- 2.61   0.001% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  21.09 +/- 0.89   0.000% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+  74  15.32 +/- 1.00   0.002% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  21.75 +/- 1.16   0.000% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  15.08 +/- 0.58   0.002% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  14.97 +/- 1.59   0.002% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  38  18.67 +/- 1.43   0.000% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  25.34 +/- 1.72   0.000% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  24.34 +/- 1.66   0.000% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.12 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.81, support = 5.52, residual support = 193.3:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.87 +/- 0.19  22.305% * 90.7641% (1.00  10.0 10.00   5.54 186.82) =  79.416%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.31 +/- 0.15  77.285% *  6.7893% (0.07  10.0 10.00   5.42 218.18) =  20.583%  kept
        T HG3   LYS+  99 - QD    LYS+  38   7.12 +/- 1.28   0.195% *  0.1986% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HD2   LYS+  74   9.29 +/- 1.02   0.025% *  0.0838% (0.92   1.0  1.00   0.02   8.69) =   0.000%
          QG2   THR   39 - QD    LYS+  38   6.83 +/- 0.47   0.137% *  0.0121% (0.13   1.0  1.00   0.02  22.80) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   9.18 +/- 1.76   0.034% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  13.23 +/- 0.83   0.002% *  0.0906% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  20.32 +/- 1.16   0.000% *  0.9056% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.24 +/- 1.10   0.008% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  13.22 +/- 1.06   0.002% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.80 +/- 1.00   0.002% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+  74  13.31 +/- 1.19   0.002% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HD2   LYS+  74  19.01 +/- 1.11   0.000% *  0.3406% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.86 +/- 0.94   0.000% *  0.1990% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  23.54 +/- 1.21   0.000% *  0.3096% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.56 +/- 1.10   0.001% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  27.97 +/- 1.85   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  22.40 +/- 0.81   0.000% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  23.53 +/- 0.88   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  21.39 +/- 1.60   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.8:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.84 +/- 0.12  97.995% * 99.2094% (1.00  10.0 10.00   4.97 186.82) =  99.999%  kept
          HB    VAL   75 - HD2   LYS+  74   6.61 +/- 1.12   1.483% *  0.0306% (0.31   1.0  1.00   0.02  31.84) =   0.000%
          QD2   LEU   40 - QD    LYS+  38   7.88 +/- 0.98   0.299% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HD2   LYS+  74  11.24 +/- 1.52   0.042% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HD2   LYS+  74  10.40 +/- 0.94   0.049% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HD2   LYS+  74  13.45 +/- 1.24   0.012% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD    LYS+  38  10.47 +/- 0.94   0.047% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HD2   LYS+  74  13.03 +/- 1.37   0.013% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HD2   LYS+  74  15.42 +/- 0.90   0.005% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HD2   LYS+  74  14.66 +/- 0.99   0.006% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    LYS+  38  12.81 +/- 1.52   0.016% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    LYS+  38  12.73 +/- 1.03   0.014% *  0.0213% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  12.47 +/- 1.29   0.017% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - QD    LYS+  38  22.64 +/- 0.90   0.000% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  17.54 +/- 1.94   0.002% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  20.67 +/- 0.65   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 880 (1.64, 1.64, 30.09 ppm):
    2 diagonal assignments:
    *     HD2   LYS+  74 - HD2   LYS+  74  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.07)  kept
 
    Peak 881 (2.80, 1.64, 30.09 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.8:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.25 +/- 0.10  99.755% * 99.4851% (1.00  10.0 10.00   4.97 186.82) = 100.000%  kept
          HB2   PHE   72 - HD2   LYS+  74   7.28 +/- 1.53   0.196% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HD2   LYS+  74   9.39 +/- 1.55   0.028% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+  74  11.78 +/- 1.58   0.007% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  11.49 +/- 1.73   0.012% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - QD    LYS+  38  19.20 +/- 1.00   0.000% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HD2   LYS+  74  17.97 +/- 1.34   0.000% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  16.57 +/- 0.96   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  26.76 +/- 1.10   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  29.15 +/- 0.78   0.000% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (4.94, 2.80, 41.81 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 186.8:
    *   T HA    LYS+  74 - QE    LYS+  74   2.40 +/- 0.46  99.920% * 99.8966% (0.80 10.00   4.93 186.82) = 100.000%  kept
          HA    THR   94 - QE    LYS+  74   8.88 +/- 0.91   0.050% *  0.0757% (0.61  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - QE    LYS+  74  10.27 +/- 1.12   0.029% *  0.0278% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.48, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 186.8:
    *   T HB2   LYS+  74 - QE    LYS+  74   3.12 +/- 0.55  99.520% * 99.4757% (0.80 10.00   4.62 186.82) = 100.000%  kept
          QG2   THR   26 - QE    LYS+  74   9.30 +/- 0.33   0.184% *  0.0654% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QE    LYS+  74  10.59 +/- 1.27   0.103% *  0.0557% (0.45  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  74  13.04 +/- 1.25   0.030% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  74  13.81 +/- 1.12   0.020% *  0.1114% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  74  11.69 +/- 0.99   0.056% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  74  12.37 +/- 1.10   0.038% *  0.0310% (0.25  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  74  14.80 +/- 0.85   0.013% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  74  13.18 +/- 1.05   0.026% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  74  15.67 +/- 1.45   0.010% *  0.0466% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.22 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.8:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.40 +/- 0.54  99.368% * 99.1206% (1.00  10.0 10.00   4.54 186.82) = 100.000%  kept
          HG13  ILE   19 - QE    LYS+  74   8.97 +/- 0.99   0.176% *  0.0915% (0.92   1.0  1.00   0.02   8.69) =   0.000%
          QG2   ILE   56 - QE    LYS+  74   7.22 +/- 1.54   0.382% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  74  11.86 +/- 0.76   0.018% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  74  10.78 +/- 0.94   0.021% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+  74  10.76 +/- 1.15   0.019% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QE    LYS+  74  15.64 +/- 1.03   0.002% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  74  12.35 +/- 0.93   0.013% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+  74  17.59 +/- 1.17   0.001% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  20.93 +/- 0.98   0.001% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 0.996, support = 4.0, residual support = 185.9:
    * O T HG3   LYS+  74 - QE    LYS+  74   3.15 +/- 0.30  90.616% * 93.7727% (1.00  10.0 10.00   4.00 186.82) =  99.397%  kept
          HB    VAL   75 - QE    LYS+  74   5.29 +/- 1.08   8.864% *  5.8120% (0.31   1.0  1.00   4.02  31.84) =   0.603%  kept
          QD1   LEU   67 - QE    LYS+  74   9.73 +/- 1.28   0.162% *  0.0866% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QE    LYS+  74   9.44 +/- 0.96   0.172% *  0.0644% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QE    LYS+  74  11.52 +/- 1.17   0.053% *  0.0841% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QE    LYS+  74  10.99 +/- 1.22   0.075% *  0.0352% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    LYS+  74  12.86 +/- 0.72   0.024% *  0.0919% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QE    LYS+  74  12.28 +/- 0.79   0.033% *  0.0531% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 886 (1.64, 2.80, 41.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.8:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.25 +/- 0.10  99.849% * 99.2156% (1.00  10.0 10.00   4.97 186.82) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  74   7.20 +/- 0.83   0.127% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QE    LYS+  74  10.86 +/- 1.11   0.011% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  74  11.05 +/- 1.18   0.009% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QE    LYS+  74  14.15 +/- 0.92   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  74  19.20 +/- 1.00   0.000% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  15.67 +/- 1.07   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  17.31 +/- 1.04   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  18.55 +/- 1.81   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 84.4:
    * O T HB    VAL   75 - HA    VAL   75   2.83 +/- 0.31  98.392% * 99.3939% (1.00  10.0 10.00   3.44  84.40) =  99.999%  kept
          HG3   LYS+  74 - HA    VAL   75   5.93 +/- 0.50   1.580% *  0.0307% (0.31   1.0  1.00   0.02  31.84) =   0.000%
        T QD1   ILE  119 - HA    VAL   75  15.12 +/- 1.18   0.006% *  0.4086% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    VAL   75  14.32 +/- 1.13   0.008% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    VAL   75  14.24 +/- 0.90   0.007% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    VAL   75  15.04 +/- 0.61   0.005% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL   75  19.02 +/- 0.55   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 890 (0.44, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T QG1   VAL   75 - HA    VAL   75   2.70 +/- 0.18  99.997% * 99.9055% (1.00  10.0 10.00   4.00  84.40) = 100.000%  kept
          QD1   LEU  115 - HA    VAL   75  16.01 +/- 1.61   0.003% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.13, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T QG2   VAL   75 - HA    VAL   75   2.27 +/- 0.30  99.992% * 99.9036% (1.00  10.0 10.00   4.00  84.40) = 100.000%  kept
          QG2   VAL   42 - HA    VAL   75  11.33 +/- 0.24   0.008% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 892 (3.71, 1.00, 35.37 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.4:
    * O T HA    VAL   75 - HB    VAL   75   2.83 +/- 0.31  99.974% * 99.7003% (1.00  10.0 10.00   3.44  84.40) = 100.000%  kept
        T HA    ILE  119 - HB    VAL   75  17.51 +/- 1.35   0.003% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HB    VAL   75  16.02 +/- 1.49   0.005% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HB    VAL   75  13.23 +/- 1.21   0.014% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    VAL   75  15.89 +/- 0.87   0.004% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 84.4:
    * O T QG1   VAL   75 - HB    VAL   75   2.13 +/- 0.01  99.998% * 99.9055% (1.00  10.0 10.00   3.44  84.40) = 100.000%  kept
          QD1   LEU  115 - HB    VAL   75  14.62 +/- 1.69   0.002% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (0.13, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 84.4:
    * O T QG2   VAL   75 - HB    VAL   75   2.12 +/- 0.01  99.990% * 99.0442% (1.00  10.0 10.00   3.31  84.40) = 100.000%  kept
        T QG2   VAL   42 - HB    VAL   75  10.00 +/- 0.58   0.010% *  0.9558% (0.97   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 84.4:
    * O T HA    VAL   75 - QG1   VAL   75   2.70 +/- 0.18  99.969% * 99.6578% (1.00  10.0 10.00   4.00  84.40) = 100.000%  kept
        T HA    ALA   61 - QG1   VAL   75  12.49 +/- 0.81   0.012% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG1   VAL   75  14.23 +/- 0.85   0.006% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  12.64 +/- 0.47   0.011% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG1   VAL   75  15.87 +/- 0.68   0.003% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.4:
    * O T HB    VAL   75 - QG1   VAL   75   2.13 +/- 0.01  99.877% * 99.7607% (1.00  10.0 10.00   3.44  84.40) = 100.000%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.77 +/- 0.50   0.108% *  0.0308% (0.31   1.0  1.00   0.02  31.84) =   0.000%
          QD2   LEU   40 - QG1   VAL   75  11.87 +/- 0.72   0.004% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG1   VAL   75  11.30 +/- 0.59   0.005% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG1   VAL   75  12.53 +/- 0.91   0.003% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   75  12.51 +/- 1.03   0.003% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  15.14 +/- 0.51   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 84.4:
    * O T QG2   VAL   75 - QG1   VAL   75   2.05 +/- 0.06  99.990% * 99.9036% (1.00  10.0 10.00   4.00  84.40) = 100.000%  kept
          QG2   VAL   42 - QG1   VAL   75   9.52 +/- 0.29   0.010% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (3.71, 0.13, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T HA    VAL   75 - QG2   VAL   75   2.27 +/- 0.30  99.982% * 99.8572% (1.00  10.0 10.00   4.00  84.40) = 100.000%  kept
          HA    ALA   61 - QG2   VAL   75  11.50 +/- 0.78   0.012% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG2   VAL   75  14.44 +/- 0.81   0.002% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG2   VAL   75  14.96 +/- 0.75   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  14.65 +/- 0.59   0.002% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 84.4:
    * O T HB    VAL   75 - QG2   VAL   75   2.12 +/- 0.01  99.805% * 99.7607% (1.00  10.0 10.00   3.31  84.40) = 100.000%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.21 +/- 0.38   0.169% *  0.0308% (0.31   1.0  1.00   0.02  31.84) =   0.000%
          QD2   LEU   40 - QG2   VAL   75  10.28 +/- 0.77   0.009% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG2   VAL   75  11.07 +/- 0.94   0.006% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG2   VAL   75  10.69 +/- 0.55   0.006% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   75  12.06 +/- 1.16   0.003% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  13.84 +/- 0.60   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (0.44, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T QG1   VAL   75 - QG2   VAL   75   2.05 +/- 0.06  99.998% * 99.9055% (1.00  10.0 10.00   4.00  84.40) = 100.000%  kept
          QD1   LEU  115 - QG2   VAL   75  13.00 +/- 1.57   0.002% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.87, residual support = 36.1:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.91 +/- 0.10  91.685% * 99.1090% (1.00  10.0 10.00   2.87  36.08) =  99.996%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.25 +/- 0.54   3.292% *  0.0720% (0.73   1.0  1.00   0.02   3.10) =   0.003%
        T QE    LYS+  66 - HA    LEU   67   6.57 +/- 1.23   3.947% *  0.0362% (0.04   1.0 10.00   0.02  10.43) =   0.002%
          HB2   ASN   69 - HA    LEU   67   6.48 +/- 0.81   1.063% *  0.0159% (0.16   1.0  1.00   0.02   2.97) =   0.000%
        T QE    LYS+  33 - HA    ASP-  76  18.36 +/- 1.22   0.002% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LEU   67  15.70 +/- 2.14   0.006% *  0.0362% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HA    ASP-  76  21.15 +/- 0.81   0.001% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LEU   67  22.33 +/- 1.05   0.000% *  0.1626% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  15.75 +/- 0.62   0.004% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  76  23.92 +/- 0.62   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  26.09 +/- 1.27   0.000% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  23.03 +/- 0.86   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (2.24, 5.02, 52.40 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 2.98, residual support = 36.1:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.75 +/- 0.20  99.675% * 99.2676% (0.87  10.0 10.00   2.98  36.08) = 100.000%  kept
          HG3   MET   92 - HA    ASP-  76  12.43 +/- 2.61   0.069% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  76   9.29 +/- 2.32   0.184% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    ASP-  76  13.53 +/- 0.63   0.008% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  12.76 +/- 1.32   0.014% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  10.88 +/- 1.26   0.035% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  76  16.41 +/- 0.75   0.002% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    ASP-  76  19.66 +/- 0.65   0.001% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  15.19 +/- 1.48   0.005% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - HA    LEU   67  22.84 +/- 1.68   0.000% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  18.72 +/- 0.91   0.001% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  14.69 +/- 0.58   0.005% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  25.23 +/- 1.00   0.000% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  21.86 +/- 1.23   0.000% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  23.70 +/- 1.02   0.000% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  22.62 +/- 1.02   0.000% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.01 A, kept.
 
    Peak 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.87, residual support = 36.1:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.91 +/- 0.10  95.960% * 99.3094% (1.00  10.0 10.00   2.87  36.08) =  99.998%  kept
        T HA    LEU   67 - QE    LYS+  66   6.57 +/- 1.23   4.031% *  0.0515% (0.05   1.0 10.00   0.02  10.43) =   0.002%
        T HA    ASP-  76 - QE    LYS+  33  18.36 +/- 1.22   0.002% *  0.1481% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   67 - QE    LYS+  33  15.70 +/- 2.14   0.006% *  0.0369% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  66  21.15 +/- 0.81   0.001% *  0.2065% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   67 - HB2   ASP-  76  22.33 +/- 1.05   0.001% *  0.2476% (0.25   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (2.90, 2.90, 42.19 ppm):
    3 diagonal assignments:
    *     HB2   ASP-  76 - HB2   ASP-  76  (1.00)  kept
          QE    LYS+  66 - QE    LYS+  66  (0.05)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.03)  kept
 
    Peak 909 (2.24, 2.90, 42.19 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 2.86, residual support = 36.1:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  99.878% * 98.9845% (0.87  10.0 10.00   2.86  36.08) = 100.000%  kept
          HB2   GLU-  29 - QE    LYS+  33   7.15 +/- 1.70   0.099% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66   8.50 +/- 1.91   0.014% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ASP-  76  15.04 +/- 2.80   0.001% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  10.79 +/- 2.52   0.004% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  12.80 +/- 2.17   0.001% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  14.97 +/- 1.00   0.000% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  11.99 +/- 1.59   0.002% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  18.50 +/- 1.50   0.000% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  15.01 +/- 0.53   0.000% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  66  22.98 +/- 1.05   0.000% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  21.77 +/- 0.66   0.000% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  14.93 +/- 1.00   0.000% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  19.07 +/- 1.96   0.000% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  21.08 +/- 0.88   0.000% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  16.84 +/- 1.16   0.000% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  25.77 +/- 0.96   0.000% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  20.97 +/- 1.79   0.000% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  20.17 +/- 1.25   0.000% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  25.05 +/- 1.12   0.000% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  21.77 +/- 2.20   0.000% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  26.45 +/- 1.63   0.000% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  21.79 +/- 1.65   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  20.86 +/- 1.30   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 910 (5.02, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.98, residual support = 36.1:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.75 +/- 0.20 100.000% * 99.7513% (0.87  10.0 10.00   2.98  36.08) = 100.000%  kept
        T HA    LEU   67 - HB3   ASP-  76  22.84 +/- 1.68   0.000% *  0.2487% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 2.86, residual support = 36.1:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  98.191% * 99.3726% (0.87  10.0 10.00   2.86  36.08) =  99.999%  kept
          HB2   ASP-  78 - HB3   ASP-  76   3.85 +/- 0.70   1.809% *  0.0722% (0.63   1.0  1.00   0.02   3.10) =   0.001%
        T QE    LYS+  33 - HB3   ASP-  76  18.50 +/- 1.50   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HB3   ASP-  76  22.98 +/- 1.05   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  15.41 +/- 0.82   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  25.42 +/- 1.02   0.000% *  0.0974% (0.85   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 37.8:
    * O T HB    THR   77 - HA    THR   77   2.55 +/- 0.07  99.316% * 99.3000% (1.00  10.0 10.00   3.00  37.77) = 100.000%  kept
          HA    GLU-  79 - HA    THR   77   6.06 +/- 0.23   0.579% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HA    THR   77   8.83 +/- 0.40   0.061% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA    THR   77  10.27 +/- 0.29   0.024% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    THR   77  11.34 +/- 0.28   0.013% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  14.24 +/- 0.87   0.004% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  14.94 +/- 0.85   0.003% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HA    THR   77  19.26 +/- 0.69   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  24.30 +/- 0.39   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  24.27 +/- 1.18   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  32.16 +/- 2.16   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  29.99 +/- 1.50   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 915 (1.30, 3.58, 65.17 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.8:
    * O T QG2   THR   77 - HA    THR   77   2.40 +/- 0.10  99.923% * 99.7982% (1.00  10.0 10.00   3.00  37.77) = 100.000%  kept
          QB    ALA   88 - HA    THR   77   9.81 +/- 0.46   0.023% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    THR   77   8.95 +/- 0.96   0.054% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  19.42 +/- 1.33   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  24.39 +/- 0.53   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  27.16 +/- 0.64   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.58, 4.28, 68.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.8:
    * O T HA    THR   77 - HB    THR   77   2.55 +/- 0.07  99.954% * 99.9104% (1.00  10.0 10.00   3.00  37.77) = 100.000%  kept
          HD2   PRO   93 - HB    THR   77  10.64 +/- 1.63   0.039% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB    THR   77  12.75 +/- 0.83   0.007% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.83, residual support = 37.8:
    * O T QG2   THR   77 - HB    THR   77   2.16 +/- 0.01  99.975% * 99.5496% (1.00  10.0 10.00   2.83  37.77) = 100.000%  kept
        T QG2   THR   23 - HB    THR   77  10.97 +/- 0.96   0.007% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB    THR   77   9.33 +/- 0.60   0.017% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB    THR   77  18.15 +/- 1.48   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  25.77 +/- 0.51   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  29.08 +/- 0.73   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 919 (3.58, 1.30, 23.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.8:
    * O T HA    THR   77 - QG2   THR   77   2.40 +/- 0.10  99.724% * 99.9104% (1.00  10.0 10.00   3.00  37.77) = 100.000%  kept
          HD2   PRO   93 - QG2   THR   77   7.62 +/- 1.22   0.251% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - QG2   THR   77   9.77 +/- 0.83   0.025% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.83, residual support = 37.8:
    * O T HB    THR   77 - QG2   THR   77   2.16 +/- 0.01  99.764% * 99.3000% (1.00  10.0 10.00   2.83  37.77) = 100.000%  kept
          HA    ASP-  44 - QG2   THR   77   7.25 +/- 0.31   0.073% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   77   7.55 +/- 0.64   0.063% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   77   7.34 +/- 0.14   0.066% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   77   9.88 +/- 0.75   0.012% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77   9.97 +/- 0.45   0.011% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77  10.42 +/- 0.68   0.009% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG2   THR   77  15.25 +/- 0.57   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  19.99 +/- 0.44   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  20.17 +/- 0.92   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  27.17 +/- 1.71   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  25.18 +/- 1.23   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.29, residual support = 39.2:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.89 +/- 0.14  98.489% * 99.6931% (1.00  10.0 10.00   3.29  39.16) =  99.999%  kept
          HB2   ASP-  76 - HA    ASP-  78   6.22 +/- 0.65   1.497% *  0.0724% (0.73   1.0  1.00   0.02   3.10) =   0.001%
          HB2   ASP-  86 - HA    ASP-  78  13.48 +/- 0.50   0.010% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  18.07 +/- 0.55   0.002% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  22.42 +/- 1.31   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  78  22.19 +/- 2.25   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  29.85 +/- 0.62   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.78, 4.83, 56.44 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 39.2:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.82 +/- 0.17  99.915% * 99.8720% (1.00  10.0 10.00   2.31  39.16) = 100.000%  kept
          QB    CYS   50 - HA    ASP-  78  10.29 +/- 0.80   0.051% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASP-  78  11.27 +/- 1.29   0.035% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASP-  78  27.76 +/- 0.95   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  25.04 +/- 1.57   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.29, residual support = 39.2:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.89 +/- 0.14  99.538% * 99.8154% (1.00  10.0 10.00   3.29  39.16) = 100.000%  kept
          HA    THR   23 - HB2   ASP-  78   9.15 +/- 0.85   0.139% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - HB2   ASP-  78   8.15 +/- 0.39   0.225% *  0.0486% (0.49   1.0  1.00   0.02   2.40) =   0.000%
          HB    THR   23 - HB2   ASP-  78   9.81 +/- 1.09   0.098% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   ASP-  78  25.31 +/- 0.73   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.69, residual support = 39.2:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  99.990% * 99.8720% (1.00  10.0 10.00   2.69  39.16) = 100.000%  kept
          QB    CYS   50 - HB2   ASP-  78   9.55 +/- 1.31   0.006% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASP-  78  10.30 +/- 1.41   0.004% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  27.33 +/- 0.94   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  25.22 +/- 1.59   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 928 (4.83, 2.78, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 39.2:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.82 +/- 0.17  99.658% * 99.8154% (1.00  10.0 10.00   2.31  39.16) = 100.000%  kept
          HA    LEU   80 - HB3   ASP-  78   8.26 +/- 0.43   0.186% *  0.0486% (0.49   1.0  1.00   0.02   2.40) =   0.000%
          HA    THR   23 - HB3   ASP-  78   9.30 +/- 0.58   0.091% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP-  78   9.95 +/- 0.88   0.064% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  25.44 +/- 0.81   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.69, residual support = 39.2:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  99.550% * 99.6931% (1.00  10.0 10.00   2.69  39.16) = 100.000%  kept
          HB2   ASP-  76 - HB3   ASP-  78   4.80 +/- 0.84   0.450% *  0.0724% (0.73   1.0  1.00   0.02   3.10) =   0.000%
          HB2   ASP-  86 - HB3   ASP-  78  15.04 +/- 0.46   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  18.14 +/- 0.56   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  21.73 +/- 1.52   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  78  20.81 +/- 2.52   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  29.09 +/- 0.87   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.29, residual support = 55.2:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.87 +/- 0.21  99.962% * 98.4729% (1.00  10.0 10.00   4.29  55.22) = 100.000%  kept
          HG3   GLU-  25 - HA    GLU-  79  11.75 +/- 0.90   0.026% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  79  16.91 +/- 3.04   0.008% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  79  16.83 +/- 1.10   0.003% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HA    GLU-  79  26.90 +/- 0.74   0.000% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  79  22.87 +/- 1.65   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  79  28.85 +/- 1.96   0.000% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 3.48, residual support = 55.2:
    * O T QG    GLU-  79 - HA    GLU-  79   2.51 +/- 0.27  99.999% * 99.7507% (1.00  10.0 10.00   3.48  55.22) = 100.000%  kept
          QG    GLN   32 - HA    GLU-  79  19.32 +/- 1.13   0.001% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  21.28 +/- 0.88   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  23.66 +/- 0.69   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  28.77 +/- 1.07   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  29.27 +/- 1.03   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 55.2:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.87 +/- 0.21  99.667% * 99.4064% (1.00  10.0 10.00   4.29  55.22) = 100.000%  kept
          HB    THR   77 - HB2   GLU-  79   7.76 +/- 0.33   0.301% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  79  13.21 +/- 0.61   0.013% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  79  13.19 +/- 0.82   0.014% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  79  17.77 +/- 1.26   0.002% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  79  17.44 +/- 1.08   0.002% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  79  22.12 +/- 1.14   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  79  24.47 +/- 0.90   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  29.24 +/- 2.25   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.45, residual support = 55.2:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.29 +/- 0.10  99.999% * 99.7507% (1.00  10.0 10.00   3.45  55.22) = 100.000%  kept
          QG    GLN   32 - HB2   GLU-  79  17.89 +/- 1.37   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  19.72 +/- 1.10   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  21.72 +/- 1.07   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  26.87 +/- 1.23   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  27.72 +/- 1.10   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.48, residual support = 55.2:
    * O T HA    GLU-  79 - QG    GLU-  79   2.51 +/- 0.27  99.891% * 99.4064% (1.00  10.0 10.00   3.48  55.22) = 100.000%  kept
          HB    THR   77 - QG    GLU-  79   8.43 +/- 0.36   0.091% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  79  12.36 +/- 0.36   0.009% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG    GLU-  79  13.16 +/- 0.74   0.006% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  79  17.64 +/- 1.03   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  79  17.34 +/- 1.06   0.001% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  79  20.52 +/- 0.94   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  22.23 +/- 0.77   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  26.02 +/- 2.09   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.45, residual support = 55.2:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.29 +/- 0.10  99.944% * 99.5443% (1.00  10.0 10.00   3.45  55.22) = 100.000%  kept
          HG3   GLU-  25 - QG    GLU-  79   8.49 +/- 0.96   0.053% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QG    GLU-  79  16.45 +/- 2.68   0.002% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QG    GLU-  79  16.48 +/- 1.14   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QG    GLU-  79  20.92 +/- 1.36   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  21.81 +/- 0.67   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  23.75 +/- 1.71   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.44, residual support = 77.1:
    *   T QD1   LEU   80 - HA    LEU   80   2.74 +/- 0.59  99.890% * 98.6414% (0.65 10.00   5.44  77.13) = 100.000%  kept
        T QD2   LEU   98 - HA    LEU   80  13.26 +/- 0.93   0.014% *  0.9864% (0.65 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU   80  10.25 +/- 0.69   0.075% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   80  13.63 +/- 1.18   0.015% *  0.1274% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   80  18.40 +/- 1.13   0.002% *  0.1408% (0.92  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    LEU   80  17.00 +/- 1.30   0.003% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 77.1:
    * O   HA    LEU   80 - HB2   LEU   80   2.53 +/- 0.32  91.763% * 99.6992% (1.00  10.0   4.72  77.13) =  99.992%  kept
          HB    THR   23 - HB2   LEU   80   6.13 +/- 1.51   4.399% *  0.0962% (0.97   1.0   0.02  10.46) =   0.005%
          HA    THR   23 - HB2   LEU   80   4.85 +/- 0.75   3.691% *  0.0798% (0.80   1.0   0.02  10.46) =   0.003%
          HA    ASP-  78 - HB2   LEU   80   8.25 +/- 0.57   0.147% *  0.0485% (0.49   1.0   0.02   2.40) =   0.000%
          HA    ASP- 105 - HB2   LEU   80  20.51 +/- 0.89   0.000% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (1.41, 1.41, 40.36 ppm):
    1 diagonal assignment:
    *     HB2   LEU   80 - HB2   LEU   80  (1.00)  kept
 
    Peak 945 (0.56, 1.41, 40.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 4.31, residual support = 77.1:
    * O T QD1   LEU   80 - HB2   LEU   80   2.57 +/- 0.35  99.838% * 97.5236% (0.65  10.0 10.00   4.31  77.13) = 100.000%  kept
        T QG2   VAL   41 - HB2   LEU   80  11.89 +/- 1.13   0.015% *  1.2592% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   98 - HB2   LEU   80  11.52 +/- 0.96   0.017% *  0.9752% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU   80   8.57 +/- 0.67   0.124% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   80  16.56 +/- 1.33   0.002% *  0.1392% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   LEU   80  15.21 +/- 1.58   0.003% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.05 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.621, support = 4.74, residual support = 61.9:
    *   T HA    LEU   80 - QD1   LEU   80   2.74 +/- 0.59  23.747% * 85.3415% (0.65 10.00   5.44  77.13) =  77.093%  kept
          HA    THR   23 - QD1   LEU   80   2.27 +/- 0.82  59.418% *  8.7308% (0.52  1.00   2.56  10.46) =  19.734%  kept
          HB    THR   23 - QD1   LEU   80   3.46 +/- 1.37  16.083% *  5.1841% (0.62  1.00   1.26  10.46) =   3.172%  kept
          HA    ASP-  78 - QD1   LEU   80   6.53 +/- 0.70   0.685% *  0.0415% (0.31  1.00   0.02   2.40) =   0.001%
          HA    ASP- 105 - QD2   LEU   98   8.54 +/- 0.64   0.059% *  0.0374% (0.28  1.00   0.02   5.53) =   0.000%
        T HA    LEU   80 - QD2   LEU   98  13.26 +/- 0.93   0.002% *  0.4892% (0.37 10.00   0.02   0.02) =   0.000%
          HA    THR   23 - QD2   LEU   98  12.78 +/- 1.15   0.003% *  0.0392% (0.30  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QD2   LEU   98  14.36 +/- 1.27   0.001% *  0.0472% (0.36  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - QD1   LEU   80  18.33 +/- 0.94   0.001% *  0.0652% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QD2   LEU   98  17.09 +/- 0.77   0.001% *  0.0238% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 101.4:
    * O T QB    LYS+  81 - HA    LYS+  81   2.32 +/- 0.10  99.792% * 97.5498% (1.00  10.0 10.00   4.97 101.42) = 100.000%  kept
          HB3   GLN   90 - HA    LYS+  81   7.98 +/- 2.42   0.198% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  81  19.17 +/- 1.53   0.000% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  81  15.12 +/- 0.70   0.001% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  81  16.36 +/- 0.92   0.001% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  81  12.93 +/- 1.53   0.005% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  16.53 +/- 0.70   0.001% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  18.89 +/- 1.63   0.000% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  20.09 +/- 0.78   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  81  29.04 +/- 1.60   0.000% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  20.10 +/- 1.08   0.000% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  22.19 +/- 0.71   0.000% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  28.60 +/- 0.67   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  24.39 +/- 1.03   0.000% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  30.02 +/- 1.01   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.18, residual support = 101.4:
    * O T QG    LYS+  81 - HA    LYS+  81   2.52 +/- 0.29  99.993% * 98.1658% (1.00  10.0 10.00   4.18 101.42) = 100.000%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  18.40 +/- 1.30   0.001% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+  81  22.19 +/- 1.08   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  81  14.01 +/- 0.88   0.005% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  21.04 +/- 1.00   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.03 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.4:
    *   T QD    LYS+  81 - HA    LYS+  81   3.96 +/- 0.46  99.890% * 99.7569% (1.00 10.00   3.44 101.42) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  81  12.75 +/- 0.52   0.105% *  0.0989% (0.99  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    LYS+  81  24.66 +/- 1.05   0.002% *  0.0995% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  81  23.43 +/- 0.58   0.003% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.06 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.4:
    *   T QE    LYS+  81 - HA    LYS+  81   3.40 +/- 0.63  99.949% * 99.9825% (1.00 10.00   3.44 101.42) = 100.000%  kept
          HB3   TRP   49 - HA    LYS+  81  13.38 +/- 1.38   0.051% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.94 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 = 101.4:
    * O T HA    LYS+  81 - QB    LYS+  81   2.32 +/- 0.10  99.923% * 98.7606% (1.00  10.0 10.00   4.97 101.42) = 100.000%  kept
        T HA    ARG+  54 - HB3   PRO   52   7.94 +/- 0.28   0.067% *  0.0733% (0.07   1.0 10.00   0.02   1.76) =   0.000%
        T HA    ARG+  54 - QB    LYS+  81  18.50 +/- 1.59   0.000% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  12.49 +/- 1.49   0.007% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HB3   PRO   52  16.36 +/- 0.92   0.001% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  14.44 +/- 0.80   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  21.17 +/- 0.81   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  26.20 +/- 0.74   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  23.36 +/- 1.56   0.000% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  32.44 +/- 1.05   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  27.20 +/- 0.63   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  27.94 +/- 1.56   0.000% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  25.91 +/- 0.85   0.000% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  35.80 +/- 0.73   0.000% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (1.87, 1.87, 32.96 ppm):
    2 diagonal assignments:
    *     QB    LYS+  81 - QB    LYS+  81  (1.00)  kept
          HB3   PRO   52 - HB3   PRO   52  (0.02)  kept
 
    Peak 956 (1.56, 1.87, 32.96 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.5, residual support = 101.4:
    * O T QG    LYS+  81 - QB    LYS+  81   2.10 +/- 0.02  99.987% * 97.8497% (1.00  10.0 10.00   4.50 101.42) = 100.000%  kept
        T HG2   LYS+ 106 - QB    LYS+  81  18.45 +/- 1.17   0.000% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+  81  21.26 +/- 1.06   0.000% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HB3   PRO   52  15.50 +/- 0.99   0.001% *  0.1122% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HB3   PRO   52  17.44 +/- 0.91   0.000% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  14.30 +/- 0.90   0.001% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52  10.35 +/- 1.04   0.009% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  14.44 +/- 1.19   0.001% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  20.62 +/- 0.89   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  29.88 +/- 0.79   0.000% *  0.0938% (0.10   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.50 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 = 101.4:
    * O T QD    LYS+  81 - QB    LYS+  81   2.33 +/- 0.13  99.995% * 99.6151% (1.00  10.0 10.00   3.74 101.42) = 100.000%  kept
          HB    VAL   43 - QB    LYS+  81  13.51 +/- 0.48   0.003% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HB3   PRO   52  15.74 +/- 1.41   0.001% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  24.05 +/- 0.94   0.000% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  17.71 +/- 0.62   0.001% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  22.61 +/- 0.58   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  26.26 +/- 0.95   0.000% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  24.07 +/- 1.22   0.000% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 958 (3.11, 1.87, 32.96 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 101.4:
    *     QE    LYS+  81 - QB    LYS+  81   2.20 +/- 0.36  99.954% * 99.8347% (1.00   3.74 101.42) = 100.000%  kept
          HB3   TRP   49 - QB    LYS+  81  12.45 +/- 1.61   0.006% *  0.0934% (0.18   0.02   0.02) =   0.000%
          HB3   TRP   49 - HB3   PRO   52   9.14 +/- 0.81   0.037% *  0.0107% (0.02   0.02   3.49) =   0.000%
          QE    LYS+  81 - HB3   PRO   52  14.52 +/- 1.58   0.003% *  0.0612% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 959 (4.10, 1.56, 25.02 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.18, residual support = 101.4:
    * O T HA    LYS+  81 - QG    LYS+  81   2.52 +/- 0.29  99.783% * 98.8267% (1.00  10.0 10.00   4.18 101.42) = 100.000%  kept
          HA    GLU-  36 - HG2   LYS+  33   8.05 +/- 0.47   0.116% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+  33   9.26 +/- 0.59   0.053% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+ 106  18.40 +/- 1.30   0.001% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+  33  22.19 +/- 1.08   0.000% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  10.40 +/- 1.17   0.037% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    LYS+  81  17.43 +/- 1.27   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  14.27 +/- 0.74   0.004% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  25.90 +/- 0.72   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  19.46 +/- 1.28   0.001% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  20.33 +/- 0.96   0.001% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+  33  25.64 +/- 2.90   0.000% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  20.76 +/- 0.91   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  20.19 +/- 2.03   0.001% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  17.73 +/- 1.34   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  23.92 +/- 1.09   0.000% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  28.11 +/- 2.12   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  31.91 +/- 0.99   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  19.69 +/- 1.89   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  26.20 +/- 0.67   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  24.84 +/- 2.02   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 960 (1.87, 1.56, 25.02 ppm):
    45 chemical-shift based assignments, quality = 0.815, support = 4.82, residual support = 114.9:
    * O T QB    LYS+  81 - QG    LYS+  81   2.10 +/- 0.02  44.346% * 57.8388% (1.00  10.0 10.00   4.50 101.42) =  69.683%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.26 +/- 0.08  29.531% * 26.7248% (0.46  10.0 10.00   5.67 149.87) =  21.441%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.32 +/- 0.12  25.729% * 12.6979% (0.22  10.0 10.00   5.31 135.84) =   8.876%  kept
          HB3   GLN   30 - HG2   LYS+  33   5.96 +/- 0.93   0.190% *  0.0104% (0.18   1.0  1.00   0.02   0.17) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   8.84 +/- 2.28   0.030% *  0.0573% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+ 106   6.19 +/- 1.02   0.102% *  0.0106% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.43 +/- 0.42   0.061% *  0.0114% (0.20   1.0  1.00   0.02  19.38) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  15.46 +/- 0.65   0.000% *  0.5771% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  18.63 +/- 0.75   0.000% *  0.5582% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  10.83 +/- 1.25   0.003% *  0.0157% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  18.05 +/- 1.09   0.000% *  0.2763% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  15.50 +/- 0.99   0.000% *  0.0892% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  12.85 +/- 1.72   0.002% *  0.0144% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  18.45 +/- 1.17   0.000% *  0.1273% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  21.26 +/- 1.06   0.000% *  0.2769% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.49 +/- 1.03   0.000% *  0.1228% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  17.32 +/- 1.29   0.000% *  0.0502% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  15.62 +/- 0.79   0.000% *  0.0217% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  14.96 +/- 1.73   0.000% *  0.0126% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.02 +/- 1.43   0.000% *  0.0420% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  17.14 +/- 2.27   0.000% *  0.0222% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  14.63 +/- 1.27   0.000% *  0.0092% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  17.44 +/- 0.91   0.000% *  0.0196% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  20.20 +/- 1.02   0.000% *  0.0483% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.42 +/- 1.11   0.000% *  0.0231% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.55 +/- 1.49   0.000% *  0.0248% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  21.82 +/- 0.77   0.000% *  0.0519% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  14.06 +/- 1.35   0.001% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  19.90 +/- 2.27   0.000% *  0.0102% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  18.02 +/- 1.33   0.000% *  0.0048% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  27.09 +/- 1.28   0.000% *  0.0463% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  20.02 +/- 0.84   0.000% *  0.0072% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  22.03 +/- 0.85   0.000% *  0.0110% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  17.07 +/- 1.34   0.000% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  26.25 +/- 1.40   0.000% *  0.0274% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  27.01 +/- 0.61   0.000% *  0.0327% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  25.91 +/- 1.53   0.000% *  0.0201% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  22.53 +/- 0.97   0.000% *  0.0078% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  29.88 +/- 0.79   0.000% *  0.0427% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  29.51 +/- 2.24   0.000% *  0.0240% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.08 +/- 1.15   0.000% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  27.03 +/- 1.22   0.000% *  0.0069% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  28.34 +/- 0.88   0.000% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  25.84 +/- 2.67   0.000% *  0.0043% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  26.44 +/- 1.57   0.000% *  0.0037% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (1.56, 1.56, 25.02 ppm):
    3 diagonal assignments:
    *     QG    LYS+  81 - QG    LYS+  81  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.40)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.22)  kept
 
    Peak 962 (1.77, 1.56, 25.02 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 101.4:
    * O T QD    LYS+  81 - QG    LYS+  81   2.04 +/- 0.02  99.980% * 98.8994% (1.00  10.0 10.00   3.71 101.42) = 100.000%  kept
          HB    VAL   43 - HG2   LYS+ 106   9.76 +/- 1.04   0.012% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QG    LYS+  81  13.18 +/- 0.50   0.001% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  11.59 +/- 0.57   0.003% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  13.56 +/- 0.78   0.001% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  14.77 +/- 1.61   0.001% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+  33  22.39 +/- 1.05   0.000% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  19.98 +/- 1.43   0.000% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  14.75 +/- 1.49   0.001% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  23.91 +/- 0.88   0.000% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  21.21 +/- 0.57   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  23.09 +/- 1.50   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 963 (3.11, 1.56, 25.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 101.4:
    * O   QE    LYS+  81 - QG    LYS+  81   2.32 +/- 0.15  99.991% * 99.9005% (1.00  10.0   3.71 101.42) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  11.54 +/- 1.47   0.008% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  19.02 +/- 1.22   0.000% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  22.65 +/- 1.29   0.000% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  23.13 +/- 1.38   0.000% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  29.98 +/- 1.05   0.000% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 101.4:
    *   T HA    LYS+  81 - QD    LYS+  81   3.96 +/- 0.46  99.952% * 99.7133% (1.00 10.00   3.44 101.42) = 100.000%  kept
          HA    ARG+  54 - QD    LYS+  81  17.89 +/- 1.29   0.014% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD    LYS+  81  16.04 +/- 0.73   0.028% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  81  27.70 +/- 0.64   0.001% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  21.82 +/- 1.26   0.004% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  33.33 +/- 0.96   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  27.62 +/- 0.82   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.04 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 101.4:
    * O T QB    LYS+  81 - QD    LYS+  81   2.33 +/- 0.13  99.904% * 98.9997% (1.00  10.0 10.00   3.74 101.42) = 100.000%  kept
          HB3   GLN   90 - QD    LYS+  81   9.22 +/- 2.26   0.084% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QD    LYS+  81  15.74 +/- 1.41   0.001% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  81  13.32 +/- 2.00   0.007% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  16.64 +/- 1.01   0.001% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  17.59 +/- 1.30   0.001% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  18.83 +/- 1.61   0.000% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  20.22 +/- 0.74   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  17.45 +/- 0.78   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  21.68 +/- 1.19   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  23.27 +/- 1.01   0.000% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  28.70 +/- 1.16   0.000% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  28.83 +/- 0.59   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  23.42 +/- 0.91   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  29.61 +/- 1.00   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 966 (1.56, 1.77, 29.62 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 101.4:
    * O T QG    LYS+  81 - QD    LYS+  81   2.04 +/- 0.02  99.999% * 98.1658% (1.00  10.0 10.00   3.71 101.42) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  81  19.98 +/- 1.43   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  81  22.39 +/- 1.05   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  81  14.14 +/- 0.89   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  21.29 +/- 1.26   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 967 (1.77, 1.77, 29.62 ppm):
    1 diagonal assignment:
    *     QD    LYS+  81 - QD    LYS+  81  (1.00)  kept
 
    Peak 968 (3.11, 1.77, 29.62 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 101.4:
    * O   QE    LYS+  81 - QD    LYS+  81   2.09 +/- 0.02  99.994% * 99.9825% (1.00  10.0   3.00 101.42) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  11.17 +/- 1.70   0.006% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 101.4:
    *   T HA    LYS+  81 - QE    LYS+  81   3.40 +/- 0.63  99.973% * 99.7133% (1.00 10.00   3.44 101.42) = 100.000%  kept
          HA    ARG+  54 - QE    LYS+  81  17.05 +/- 1.41   0.010% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    LYS+  81  16.29 +/- 1.06   0.013% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  27.91 +/- 1.07   0.000% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  20.77 +/- 1.26   0.003% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  32.58 +/- 1.05   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  27.11 +/- 0.80   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.06 A, kept.
 
    Peak 973 (3.11, 3.11, 42.12 ppm):
    1 diagonal assignment:
    *     QE    LYS+  81 - QE    LYS+  81  (1.00)  kept
 
    Peak 974 (4.20, 4.20, 61.23 ppm):
    2 diagonal assignments:
    *     HA    SER   82 - HA    SER   82  (1.00)  kept
          HA    GLU-  25 - HA    GLU-  25  (0.20)  kept
 
    Peak 975 (3.99, 4.20, 61.23 ppm):
    20 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 33.5:
    * O T HB2   SER   82 - HA    SER   82   2.74 +/- 0.09  99.317% * 97.1708% (0.95  10.0 10.00   2.96  33.46) = 100.000%  kept
        T HB2   SER   82 - HA    GLU-  25  10.27 +/- 1.10   0.049% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    GLU-  25   6.79 +/- 0.20   0.446% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    SER   82   8.17 +/- 0.26   0.149% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    SER   82  15.66 +/- 1.63   0.004% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  11.43 +/- 0.38   0.020% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    GLU-  25  19.89 +/- 1.15   0.001% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  13.69 +/- 0.51   0.007% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  17.94 +/- 1.11   0.001% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    GLU-  25  20.10 +/- 0.68   0.001% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    SER   82  25.54 +/- 0.92   0.000% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  18.38 +/- 0.98   0.001% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  17.04 +/- 0.37   0.002% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  20.77 +/- 1.25   0.001% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  21.54 +/- 0.66   0.000% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  17.47 +/- 0.60   0.002% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  23.85 +/- 1.35   0.000% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  28.21 +/- 1.11   0.000% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  24.57 +/- 1.03   0.000% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  30.03 +/- 1.28   0.000% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.85, 4.20, 61.23 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.5:
    * O T HB3   SER   82 - HA    SER   82   2.94 +/- 0.13  99.719% * 98.8194% (1.00  10.0 10.00   2.00  33.46) = 100.000%  kept
        T HB3   SER   82 - HA    GLU-  25   9.66 +/- 1.12   0.116% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   82  10.37 +/- 0.39   0.054% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    GLU-  25   9.41 +/- 0.21   0.096% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    SER   82  19.30 +/- 1.54   0.001% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  19.04 +/- 1.04   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  19.35 +/- 1.14   0.001% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  17.34 +/- 0.50   0.002% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  17.35 +/- 0.85   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  17.69 +/- 0.93   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    GLU-  25  23.37 +/- 1.50   0.000% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    GLU-  25  20.68 +/- 1.48   0.001% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  25.01 +/- 0.97   0.000% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  26.47 +/- 1.50   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  28.60 +/- 1.32   0.000% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  24.29 +/- 0.72   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  25.85 +/- 1.07   0.000% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  26.22 +/- 0.90   0.000% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (4.20, 3.99, 61.93 ppm):
    15 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 33.5:
    * O T HA    SER   82 - HB2   SER   82   2.74 +/- 0.09  99.817% * 97.8439% (0.95  10.0 10.00   2.96  33.46) = 100.000%  kept
        T HA    GLU-  25 - HB2   SER   82  10.27 +/- 1.10   0.050% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    SER   48  15.66 +/- 1.63   0.004% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    SER   48   9.82 +/- 0.96   0.096% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    VAL   70  11.77 +/- 0.91   0.019% *  0.0128% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    SER   48  19.89 +/- 1.15   0.001% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    VAL   70  20.10 +/- 0.68   0.001% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  13.09 +/- 0.49   0.009% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    VAL   70  25.54 +/- 0.92   0.000% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  16.73 +/- 1.10   0.002% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  20.09 +/- 1.08   0.001% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    SER   48  19.66 +/- 1.33   0.001% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  21.03 +/- 1.07   0.001% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  20.84 +/- 0.73   0.001% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  28.78 +/- 0.83   0.000% *  0.0272% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.99, 3.99, 61.93 ppm):
    3 diagonal assignments:
    *     HB2   SER   82 - HB2   SER   82  (0.89)  kept
          HA    SER   48 - HA    SER   48  (0.49)  kept
          HA    VAL   70 - HA    VAL   70  (0.14)  kept
 
    Peak 979 (3.85, 3.99, 61.93 ppm):
    27 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 33.5:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  99.862% * 96.7159% (0.95  10.0 10.00   2.33  33.46) = 100.000%  kept
          HB    THR   39 - HA    VAL   70   6.15 +/- 0.91   0.094% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    SER   48   8.83 +/- 0.61   0.007% *  0.3435% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    VAL   70   9.78 +/- 0.98   0.004% *  0.2307% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    VAL   70  11.90 +/- 1.69   0.001% *  0.2913% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    SER   48   7.58 +/- 0.81   0.028% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    SER   48  16.68 +/- 1.40   0.000% *  0.5310% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  12.38 +/- 0.38   0.001% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  13.23 +/- 1.59   0.001% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   SER   82  20.53 +/- 0.96   0.000% *  0.6257% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  12.42 +/- 0.69   0.001% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  18.08 +/- 1.43   0.000% *  0.0548% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  24.45 +/- 1.42   0.000% *  0.3358% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  15.03 +/- 0.97   0.000% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  26.28 +/- 0.61   0.000% *  0.2172% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  24.45 +/- 1.20   0.000% *  0.0808% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  20.30 +/- 1.48   0.000% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  20.95 +/- 0.76   0.000% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  25.59 +/- 1.79   0.000% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  20.63 +/- 1.37   0.000% *  0.0164% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  22.58 +/- 0.88   0.000% *  0.0301% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  27.64 +/- 1.60   0.000% *  0.0839% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  25.40 +/- 1.37   0.000% *  0.0461% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  26.50 +/- 0.93   0.000% *  0.0444% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  25.62 +/- 0.72   0.000% *  0.0299% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  21.52 +/- 1.23   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  28.88 +/- 0.92   0.000% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 980 (4.20, 3.85, 61.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.5:
    * O T HA    SER   82 - HB3   SER   82   2.94 +/- 0.13  99.881% * 99.1601% (1.00  10.0 10.00   2.00  33.46) =  99.999%  kept
        T HA    GLU-  25 - HB3   SER   82   9.66 +/- 1.12   0.116% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HA    CYS   53 - HB3   SER   82  21.01 +/- 0.95   0.001% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB3   SER   82  19.71 +/- 1.22   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  28.31 +/- 0.87   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (3.99, 3.85, 61.93 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 33.5:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  99.997% * 97.6038% (0.95  10.0 10.00   2.33  33.46) = 100.000%  kept
          HA    ALA   88 - HB3   SER   82  10.09 +/- 0.25   0.003% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HB3   SER   82  16.68 +/- 1.40   0.000% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HB3   SER   82  20.05 +/- 0.78   0.000% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  15.42 +/- 1.44   0.000% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  18.49 +/- 1.56   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  24.45 +/- 1.42   0.000% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  20.70 +/- 1.16   0.000% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  21.60 +/- 1.73   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  28.91 +/- 1.11   0.000% *  0.0424% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 87.1:
    * O T HB    VAL   83 - HA    VAL   83   2.96 +/- 0.15  99.982% * 96.5761% (0.90  10.0 10.00   3.97  87.15) = 100.000%  kept
        T HD2   LYS+  74 - HA    VAL   83  15.39 +/- 1.23   0.006% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   57 - HA    VAL   83  18.86 +/- 0.97   0.002% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    VAL   83  22.01 +/- 1.18   0.001% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    VAL   83  24.60 +/- 0.98   0.000% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    VAL   83  17.15 +/- 2.08   0.004% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  17.89 +/- 1.56   0.003% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  18.25 +/- 0.79   0.002% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  24.10 +/- 1.00   0.000% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  23.60 +/- 1.45   0.000% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  29.35 +/- 1.04   0.000% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  30.30 +/- 1.66   0.000% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 985 (0.60, 3.81, 65.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.25, residual support = 87.1:
    * O T QG1   VAL   83 - HA    VAL   83   2.26 +/- 0.14  99.359% * 99.5865% (0.87  10.0 10.00   4.25  87.15) =  99.999%  kept
          QD2   LEU   80 - HA    VAL   83   5.59 +/- 0.42   0.534% *  0.0919% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HA    VAL   83   7.50 +/- 0.45   0.089% *  0.0286% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    VAL   83  10.24 +/- 1.04   0.016% *  0.0472% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   83  17.35 +/- 1.34   0.001% *  0.1108% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  16.55 +/- 1.55   0.001% *  0.0472% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  20.11 +/- 1.70   0.000% *  0.0877% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.4, residual support = 87.1:
    * O T QG2   VAL   83 - HA    VAL   83   2.60 +/- 0.18  99.621% * 99.8380% (1.00  10.0 10.00   4.40  87.15) = 100.000%  kept
          QD1   ILE   89 - HA    VAL   83   7.06 +/- 0.63   0.325% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HA    VAL   83   9.83 +/- 1.28   0.053% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 987 (3.81, 1.66, 32.03 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 87.1:
    * O T HA    VAL   83 - HB    VAL   83   2.96 +/- 0.15  99.994% * 97.8171% (0.90  10.0 10.00   3.97  87.15) = 100.000%  kept
        T HA    GLU- 100 - HB    VAL   83  19.75 +/- 1.17   0.001% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB    VAL   83  22.48 +/- 1.14   0.001% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB    VAL   83  21.28 +/- 1.02   0.001% *  0.1936% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB    VAL   83  17.07 +/- 1.37   0.003% *  0.0439% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.31, residual support = 87.1:
    * O T QG1   VAL   83 - HB    VAL   83   2.12 +/- 0.01  92.445% * 99.5865% (0.78  10.0 10.00   4.31  87.15) =  99.993%  kept
          QD2   LEU   80 - HB    VAL   83   3.33 +/- 0.34   7.416% *  0.0919% (0.72   1.0  1.00   0.02   0.02) =   0.007%
          QG2   ILE   89 - HB    VAL   83   6.72 +/- 0.60   0.116% *  0.0286% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB    VAL   83   8.86 +/- 0.95   0.023% *  0.0472% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   83  17.32 +/- 1.28   0.000% *  0.1108% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  15.43 +/- 1.49   0.001% *  0.0472% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  19.22 +/- 1.86   0.000% *  0.0877% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (0.08, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.46, residual support = 87.1:
    * O T QG2   VAL   83 - HB    VAL   83   2.12 +/- 0.02  99.849% * 99.8380% (0.90  10.0 10.00   4.46  87.15) = 100.000%  kept
          QD1   ILE   89 - HB    VAL   83   6.77 +/- 0.83   0.132% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    VAL   83   9.20 +/- 0.97   0.018% *  0.0725% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (3.81, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.25, residual support = 87.1:
    * O T HA    VAL   83 - QG1   VAL   83   2.26 +/- 0.14  99.997% * 99.7372% (0.87  10.0 10.00   4.25  87.15) = 100.000%  kept
          HA    GLU- 100 - QG1   VAL   83  15.82 +/- 1.15   0.001% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QG1   VAL   83  16.00 +/- 1.20   0.001% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG1   VAL   83  20.31 +/- 1.01   0.000% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  16.97 +/- 1.05   0.001% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.31, residual support = 87.1:
    * O T HB    VAL   83 - QG1   VAL   83   2.12 +/- 0.01  99.991% * 99.3915% (0.78  10.0 10.00   4.31  87.15) = 100.000%  kept
          HD2   LYS+  74 - QG1   VAL   83  11.91 +/- 1.21   0.004% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG1   VAL   83  14.72 +/- 1.67   0.001% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  13.29 +/- 1.41   0.002% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  15.65 +/- 0.98   0.001% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  17.63 +/- 1.00   0.000% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG1   VAL   83  19.74 +/- 1.07   0.000% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  15.94 +/- 0.87   0.001% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  20.51 +/- 0.89   0.000% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  20.97 +/- 1.24   0.000% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  24.59 +/- 1.04   0.000% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  25.34 +/- 1.52   0.000% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 87.1:
    * O T QG2   VAL   83 - QG1   VAL   83   2.03 +/- 0.06  99.799% * 99.0399% (0.87  10.0 10.00   4.77  87.15) =  99.999%  kept
        T QD1   ILE   89 - QG1   VAL   83   6.81 +/- 0.61   0.091% *  0.8882% (0.78   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - QG1   VAL   83   7.10 +/- 1.20   0.110% *  0.0719% (0.63   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (3.81, 0.08, 20.84 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.4, residual support = 87.1:
    * O T HA    VAL   83 - QG2   VAL   83   2.60 +/- 0.18  99.989% * 99.7372% (1.00  10.0 10.00   4.40  87.15) = 100.000%  kept
          HA    GLU- 100 - QG2   VAL   83  14.81 +/- 1.00   0.003% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QG2   VAL   83  14.15 +/- 1.13   0.005% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG2   VAL   83  18.24 +/- 0.89   0.001% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG2   VAL   83  16.25 +/- 0.79   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (1.66, 0.08, 20.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.46, residual support = 87.1:
    * O T HB    VAL   83 - QG2   VAL   83   2.12 +/- 0.02  99.983% * 99.3915% (0.90  10.0 10.00   4.46  87.15) = 100.000%  kept
          HD2   LYS+  74 - QG2   VAL   83  10.44 +/- 1.06   0.009% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  13.56 +/- 1.60   0.002% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG2   VAL   83  14.04 +/- 0.86   0.001% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  13.21 +/- 1.09   0.002% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  13.73 +/- 0.83   0.001% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  16.92 +/- 0.83   0.000% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  18.18 +/- 0.86   0.000% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG2   VAL   83  18.25 +/- 0.88   0.000% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  18.60 +/- 1.26   0.000% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  22.33 +/- 0.92   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  23.08 +/- 1.39   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 997 (0.60, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.77, residual support = 87.1:
    * O T QG1   VAL   83 - QG2   VAL   83   2.03 +/- 0.06  86.337% * 99.3306% (0.87  10.0 10.00   4.77  87.15) =  99.984%  kept
          QD2   LEU   80 - QG2   VAL   83   3.04 +/- 0.51  13.122% *  0.0917% (0.80   1.0  1.00   0.02   0.02) =   0.014%
        T QG2   ILE   89 - QG2   VAL   83   5.24 +/- 0.55   0.425% *  0.2855% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - QG2   VAL   83   6.49 +/- 0.73   0.112% *  0.0471% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QG2   VAL   83  12.98 +/- 1.10   0.002% *  0.1105% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - QG2   VAL   83  11.89 +/- 1.38   0.003% *  0.0471% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   83  15.15 +/- 1.46   0.001% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (0.08, 0.08, 20.84 ppm):
    1 diagonal assignment:
    *     QG2   VAL   83 - QG2   VAL   83  (1.00)  kept
 
    Peak 999 (3.68, 3.68, 55.33 ppm):
    1 diagonal assignment:
    *     HA    ALA   84 - HA    ALA   84  (0.93)  kept
 
    Peak 1000 (1.35, 3.68, 55.33 ppm):
    17 chemical-shift based assignments, quality = 0.931, support = 2.85, residual support = 18.0:
    * O T QB    ALA   84 - HA    ALA   84   2.13 +/- 0.01  99.443% * 99.1332% (0.93  10.0 10.00   2.85  18.03) = 100.000%  kept
          HB3   LEU   80 - HA    ALA   84   5.27 +/- 0.52   0.541% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   84  11.21 +/- 0.36   0.005% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   84  12.41 +/- 0.56   0.003% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   84  13.47 +/- 0.94   0.002% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  12.08 +/- 0.83   0.003% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  14.18 +/- 1.00   0.001% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  14.94 +/- 0.73   0.001% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  17.93 +/- 0.88   0.000% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  17.99 +/- 1.31   0.000% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  15.49 +/- 0.48   0.001% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  19.75 +/- 1.43   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  25.55 +/- 0.93   0.000% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  22.14 +/- 1.03   0.000% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  21.58 +/- 0.77   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  23.33 +/- 1.42   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  24.70 +/- 0.99   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (3.68, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 2.85, residual support = 18.0:
    * O T HA    ALA   84 - QB    ALA   84   2.13 +/- 0.01  99.993% * 99.6067% (0.93  10.0 10.00   2.85  18.03) = 100.000%  kept
          HA2   GLY  109 - QB    ALA   84  11.75 +/- 0.90   0.004% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QB    ALA   84  12.40 +/- 0.84   0.003% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  17.66 +/- 0.68   0.000% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  18.38 +/- 0.69   0.000% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1002 (1.35, 1.35, 18.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   84 - QB    ALA   84  (0.93)  kept
 
    Peak 1003 (4.28, 4.28, 61.37 ppm):
    1 diagonal assignment:
    *     HA    SER   85 - HA    SER   85  (1.00)  kept
 
    Peak 1004 (3.96, 4.28, 61.37 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.28, residual support = 18.1:
    * O T QB    SER   85 - HA    SER   85   2.36 +/- 0.07  54.458% * 98.0072% (1.00  10.0 10.00   2.28  18.15) =  99.977%  kept
          HA    ALA   88 - HA    SER   85   2.43 +/- 0.15  45.525% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.023%
        T QB    SER   48 - HA    SER   85  13.64 +/- 1.88   0.002% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   85   9.63 +/- 0.69   0.013% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HA    SER   85  16.25 +/- 1.26   0.001% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER   85  19.96 +/- 1.18   0.000% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   85  20.75 +/- 1.41   0.000% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  15.98 +/- 1.74   0.001% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  21.75 +/- 0.89   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  27.59 +/- 0.71   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  27.61 +/- 0.89   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  28.81 +/- 0.74   0.000% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  26.34 +/- 1.31   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (4.28, 3.96, 63.04 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 2.28, residual support = 18.1:
    * O T HA    SER   85 - QB    SER   85   2.36 +/- 0.07  95.308% * 96.1605% (1.00  10.0 10.00   2.28  18.15) =  99.998%  kept
          HA    ASP-  86 - QB    SER   85   4.15 +/- 0.15   3.423% *  0.0361% (0.38   1.0  1.00   0.02  13.43) =   0.001%
          HB    THR   77 - QB    SER   48   6.19 +/- 1.52   1.063% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   48   8.30 +/- 0.58   0.055% *  0.1141% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER   85   8.37 +/- 0.61   0.051% *  0.0962% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   48   8.61 +/- 1.19   0.057% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER   48  13.64 +/- 1.88   0.004% *  0.2345% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   85  10.51 +/- 0.23   0.012% *  0.0661% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   85  16.80 +/- 0.94   0.001% *  0.9426% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER  117  13.45 +/- 0.81   0.003% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   85  13.53 +/- 0.40   0.003% *  0.0953% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.04 +/- 1.03   0.001% *  0.4681% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  13.26 +/- 0.33   0.003% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   85  23.79 +/- 0.70   0.000% *  0.5832% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  13.63 +/- 0.82   0.003% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  12.30 +/- 1.25   0.007% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  20.75 +/- 1.41   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  19.01 +/- 1.15   0.000% *  0.0722% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   48  22.85 +/- 0.78   0.000% *  0.2298% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  20.22 +/- 0.92   0.000% *  0.0900% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.99 +/- 0.68   0.002% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  16.80 +/- 1.48   0.001% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  26.63 +/- 0.49   0.000% *  0.1422% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  19.76 +/- 0.88   0.000% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  20.54 +/- 1.46   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  27.28 +/- 1.23   0.000% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  33.61 +/- 2.07   0.000% *  0.0943% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  21.33 +/- 1.16   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  23.82 +/- 1.43   0.000% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  31.95 +/- 1.86   0.000% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  26.11 +/- 1.24   0.000% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  31.12 +/- 2.59   0.000% *  0.0230% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  25.31 +/- 1.02   0.000% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  29.04 +/- 1.91   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  33.03 +/- 1.58   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  30.37 +/- 1.50   0.000% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.5, residual support = 41.9:
    * O T HB2   ASP-  86 - HA    ASP-  86   3.04 +/- 0.04  99.980% * 99.6568% (1.00  10.0 10.00   3.50  41.92) = 100.000%  kept
          HB2   ASN   28 - HA    ASP-  86  13.68 +/- 0.87   0.013% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    ASP-  86  19.38 +/- 1.37   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  20.08 +/- 1.44   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASP-  86  16.62 +/- 0.26   0.004% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  86  26.18 +/- 1.34   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1009 (2.44, 4.30, 57.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 41.9:
    * O T HB3   ASP-  86 - HA    ASP-  86   2.58 +/- 0.10  99.967% * 98.9853% (1.00  10.0 10.00   2.00  41.92) = 100.000%  kept
          HB3   PHE   45 - HA    ASP-  86  11.55 +/- 0.40   0.013% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    ASP-  86  11.17 +/- 0.86   0.017% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  17.64 +/- 0.89   0.001% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HA    ASP-  86  25.85 +/- 0.88   0.000% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  17.36 +/- 0.78   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  23.69 +/- 1.71   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  24.32 +/- 1.55   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1010 (4.30, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.5, residual support = 41.9:
    * O T HA    ASP-  86 - HB2   ASP-  86   3.04 +/- 0.04  97.668% * 99.5343% (1.00  10.0 10.00   3.50  41.92) =  99.999%  kept
          HA    SER   85 - HB2   ASP-  86   5.72 +/- 0.10   2.219% *  0.0374% (0.38   1.0  1.00   0.02  13.43) =   0.001%
          HB    THR   77 - HB2   ASP-  86  10.72 +/- 0.55   0.054% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ASP-  86  11.30 +/- 0.65   0.040% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  13.40 +/- 1.06   0.015% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ASP-  86  17.20 +/- 1.11   0.003% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   ASP-  86  26.08 +/- 1.37   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  31.23 +/- 2.25   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  33.12 +/- 2.45   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.87, residual support = 41.9:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00  99.990% * 99.6638% (1.00  10.0 10.00   2.87  41.92) = 100.000%  kept
          HB3   PHE   45 - HB2   ASP-  86   9.31 +/- 0.36   0.005% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   ASP-  86   9.34 +/- 0.97   0.005% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  15.67 +/- 0.74   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  15.55 +/- 0.78   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  23.44 +/- 0.89   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  22.32 +/- 1.71   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  22.32 +/- 1.37   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (4.30, 2.44, 40.49 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 41.9:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.58 +/- 0.10  99.258% * 99.5343% (1.00  10.0 10.00   2.00  41.92) = 100.000%  kept
          HA    SER   85 - HB3   ASP-  86   5.99 +/- 0.40   0.713% *  0.0374% (0.38   1.0  1.00   0.02  13.43) =   0.000%
          HB    THR   77 - HB3   ASP-  86  11.49 +/- 0.65   0.014% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   ASP-  86  12.57 +/- 0.84   0.009% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  14.18 +/- 1.54   0.005% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   ASP-  86  18.03 +/- 1.60   0.001% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  26.85 +/- 1.53   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  31.84 +/- 2.43   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  33.62 +/- 2.55   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (2.94, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.87, residual support = 41.9:
    * O T HB2   ASP-  86 - HB3   ASP-  86   1.75 +/- 0.00  99.998% * 99.6568% (1.00  10.0 10.00   2.87  41.92) = 100.000%  kept
          HB2   ASN   28 - HB3   ASP-  86  11.59 +/- 0.77   0.001% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  17.72 +/- 1.49   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  18.16 +/- 1.39   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  15.48 +/- 0.76   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  24.77 +/- 1.30   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (2.44, 2.44, 40.49 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  86 - HB3   ASP-  86  (1.00)  kept
 
    Peak 1016 (4.34, 4.34, 57.63 ppm):
    1 diagonal assignment:
    *     HA    TRP   87 - HA    TRP   87  (1.00)  kept
 
    Peak 1017 (3.41, 4.34, 57.63 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.4:
    * O T HB2   TRP   87 - HA    TRP   87   2.24 +/- 0.02 100.000% * 99.9010% (1.00  10.0 10.00   4.31  70.42) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  18.24 +/- 0.89   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (2.50, 4.34, 57.63 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.4:
    * O T HB3   TRP   87 - HA    TRP   87   2.92 +/- 0.04  99.997% * 99.8563% (1.00  10.0 10.00   4.31  70.42) = 100.000%  kept
          HG2   GLU-  25 - HA    TRP   87  17.20 +/- 1.14   0.003% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    TRP   87  23.40 +/- 1.15   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1019 (4.34, 3.41, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.4:
    * O T HA    TRP   87 - HB2   TRP   87   2.24 +/- 0.02  99.997% * 99.8808% (1.00  10.0 10.00   4.31  70.42) = 100.000%  kept
          HA    LEU  104 - HB2   TRP   87  13.41 +/- 1.04   0.002% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   TRP   87  19.07 +/- 1.15   0.000% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  25.84 +/- 1.23   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (3.41, 3.41, 28.05 ppm):
    1 diagonal assignment:
    *     HB2   TRP   87 - HB2   TRP   87  (1.00)  kept
 
    Peak 1021 (2.50, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 70.4:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00 100.000% * 99.8563% (1.00  10.0 10.00   4.00  70.42) = 100.000%  kept
          HG2   GLU-  25 - HB2   TRP   87  17.06 +/- 1.30   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   TRP   87  21.68 +/- 1.13   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.4:
    * O T HA    TRP   87 - HB3   TRP   87   2.92 +/- 0.04  99.991% * 99.3033% (1.00  10.0 10.00   4.31  70.42) = 100.000%  kept
        T HA    PHE   59 - HB3   TRP   87  18.68 +/- 1.04   0.002% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   TRP   87  14.71 +/- 0.99   0.007% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  25.71 +/- 1.22   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1023 (3.41, 2.50, 28.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 70.4:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  70.42) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  15.51 +/- 0.86   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1024 (2.50, 2.50, 28.05 ppm):
    1 diagonal assignment:
    *     HB3   TRP   87 - HB3   TRP   87  (1.00)  kept
 
    Peak 1025 (3.98, 3.98, 52.68 ppm):
    1 diagonal assignment:
    *     HA    ALA   88 - HA    ALA   88  (1.00)  kept
 
    Peak 1026 (1.31, 3.98, 52.68 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.08, residual support = 11.2:
    * O T QB    ALA   88 - HA    ALA   88   2.12 +/- 0.01  99.951% * 99.6403% (1.00  10.0 10.00   2.08  11.17) = 100.000%  kept
          QG2   THR   77 - HA    ALA   88   7.86 +/- 0.49   0.042% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   88  10.58 +/- 0.35   0.007% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  16.74 +/- 1.59   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  18.43 +/- 0.78   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  23.49 +/- 0.88   0.000% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  20.79 +/- 0.94   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  27.40 +/- 1.16   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.08, residual support = 11.2:
    * O T HA    ALA   88 - QB    ALA   88   2.12 +/- 0.01  99.597% * 97.3461% (1.00  10.0 10.00   2.08  11.17) = 100.000%  kept
          QB    SER   85 - QB    ALA   88   5.35 +/- 0.16   0.393% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QB    ALA   88  10.80 +/- 0.28   0.006% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    ALA   88  13.32 +/- 1.39   0.002% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QB    ALA   88  14.81 +/- 1.50   0.001% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   88  19.19 +/- 0.74   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  18.39 +/- 0.54   0.000% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  18.65 +/- 0.56   0.000% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  21.72 +/- 0.68   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  22.56 +/- 0.76   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  24.08 +/- 0.85   0.000% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1028 (1.31, 1.31, 16.77 ppm):
    1 diagonal assignment:
    *     QB    ALA   88 - QB    ALA   88  (1.00)  kept
 
    Peak 1029 (3.87, 3.87, 59.74 ppm):
    1 diagonal assignment:
    *     HA    ILE   89 - HA    ILE   89  (1.00)  kept
 
    Peak 1030 (1.74, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 215.2:
    * O T HB    ILE   89 - HA    ILE   89   3.00 +/- 0.03  99.820% * 99.6008% (0.80  10.0 10.00   5.44 215.25) = 100.000%  kept
        T HB    VAL   43 - HA    ILE   89   9.74 +/- 0.46   0.090% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    ILE   89  10.85 +/- 1.03   0.061% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    ILE   89  12.09 +/- 1.07   0.027% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  20.11 +/- 0.49   0.001% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  19.87 +/- 0.92   0.001% *  0.0192% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 215.2:
    * O T QG2   ILE   89 - HA    ILE   89   2.31 +/- 0.17  99.973% * 99.9320% (1.00  10.0 10.00   6.28 215.25) = 100.000%  kept
          QG1   VAL   83 - HA    ILE   89   9.39 +/- 0.36   0.026% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ILE   89  15.93 +/- 1.16   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (1.22, 3.87, 59.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.78, residual support = 215.2:
    * O T HG12  ILE   89 - HA    ILE   89   2.87 +/- 0.33  99.962% * 99.3078% (1.00  10.0 10.00   5.78 215.25) = 100.000%  kept
          HG3   LYS+ 111 - HA    ILE   89  13.36 +/- 1.31   0.014% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   89  12.70 +/- 0.88   0.019% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   89  21.93 +/- 0.88   0.001% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    ILE   89  18.72 +/- 1.43   0.002% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  19.06 +/- 1.16   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  20.43 +/- 0.72   0.001% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  20.26 +/- 0.61   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 215.2:
    * O T HA    ILE   89 - HB    ILE   89   3.00 +/- 0.03  99.700% * 99.2091% (0.80  10.0 10.00   5.44 215.25) = 100.000%  kept
        T HA    ILE   89 - HB    VAL   43   9.74 +/- 0.46   0.090% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    ILE   89   9.45 +/- 0.43   0.108% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  13.05 +/- 0.62   0.016% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  13.28 +/- 0.99   0.015% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    ILE   89  16.58 +/- 0.73   0.004% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  13.19 +/- 0.74   0.015% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  13.56 +/- 1.07   0.014% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  15.86 +/- 0.74   0.005% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  11.78 +/- 0.42   0.028% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  21.90 +/- 0.70   0.001% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  24.37 +/- 0.89   0.000% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  19.31 +/- 1.10   0.002% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  18.57 +/- 0.65   0.002% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  25.98 +/- 1.05   0.000% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  18.41 +/- 0.63   0.002% *  0.0043% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.75, residual support = 215.2:
    * O T QG2   ILE   89 - HB    ILE   89   2.11 +/- 0.02  99.805% * 99.5317% (0.80  10.0 10.00   5.75 215.25) = 100.000%  kept
        T QG2   ILE   89 - HB    VAL   43   7.07 +/- 0.54   0.080% *  0.2174% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    ILE   89   7.31 +/- 0.29   0.060% *  0.0524% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    VAL   43   8.23 +/- 1.05   0.044% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    VAL   43  10.18 +/- 1.11   0.010% *  0.0335% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    ILE   89  16.51 +/- 1.18   0.000% *  0.1536% (0.12   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1036 (1.22, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.18, residual support = 215.2:
    * O T HG12  ILE   89 - HB    ILE   89   2.63 +/- 0.16  99.680% * 98.9436% (0.80  10.0 10.00   5.18 215.25) = 100.000%  kept
        T HG12  ILE   89 - HB    VAL   43   8.04 +/- 0.53   0.147% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   89  11.50 +/- 0.71   0.016% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    VAL   43   9.21 +/- 0.52   0.061% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    VAL   43  13.82 +/- 0.95   0.006% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43   9.77 +/- 0.96   0.050% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    ILE   89  15.77 +/- 1.29   0.003% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  11.12 +/- 0.75   0.021% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   89  22.18 +/- 1.19   0.000% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  12.15 +/- 0.89   0.012% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  18.31 +/- 1.18   0.001% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  19.61 +/- 1.04   0.001% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  17.46 +/- 1.65   0.001% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  18.97 +/- 0.63   0.001% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  20.64 +/- 1.29   0.000% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  21.04 +/- 1.73   0.000% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 215.2:
    * O T HA    ILE   89 - QG2   ILE   89   2.31 +/- 0.17  99.943% * 99.5272% (1.00  10.0 10.00   6.28 215.25) = 100.000%  kept
          HB3   SER   82 - QG2   ILE   89   9.42 +/- 0.44   0.029% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89   9.63 +/- 0.70   0.021% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   ILE   89  12.34 +/- 0.81   0.005% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   ILE   89  17.84 +/- 0.62   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  20.09 +/- 0.65   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  20.93 +/- 0.76   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  15.52 +/- 0.49   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.75, residual support = 215.2:
    * O T HB    ILE   89 - QG2   ILE   89   2.11 +/- 0.02  99.846% * 99.0138% (0.80  10.0 10.00   5.75 215.25) = 100.000%  kept
        T HB    VAL   43 - QG2   ILE   89   7.07 +/- 0.54   0.080% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   ILE   89   7.95 +/- 0.97   0.059% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG2   ILE   89   9.40 +/- 0.89   0.015% *  0.0344% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - QG2   ILE   89  16.68 +/- 0.53   0.000% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QG2   ILE   89  16.44 +/- 0.83   0.000% *  0.1908% (0.15   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.63, 0.63, 17.89 ppm):
    1 diagonal assignment:
    *     QG2   ILE   89 - QG2   ILE   89  (1.00)  kept
 
    Peak 1040 (1.22, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.11, residual support = 215.2:
    * O T HG12  ILE   89 - QG2   ILE   89   3.15 +/- 0.13  99.557% * 99.3078% (1.00  10.0 10.00   6.11 215.25) = 100.000%  kept
          HG2   LYS+  74 - QG2   ILE   89   8.32 +/- 0.67   0.362% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QG2   ILE   89  11.73 +/- 1.18   0.043% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG2   ILE   89  18.05 +/- 0.87   0.003% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  14.56 +/- 0.99   0.011% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG2   ILE   89  15.73 +/- 0.81   0.007% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QG2   ILE   89  15.47 +/- 1.25   0.009% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  14.96 +/- 0.49   0.009% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.78, residual support = 215.2:
    * O T HA    ILE   89 - HG12  ILE   89   2.87 +/- 0.33  99.724% * 98.5945% (1.00  10.0 10.00   5.78 215.25) =  99.999%  kept
        T HB    THR   39 - HG3   LYS+  99   8.98 +/- 1.04   0.149% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HG12  ILE   89  10.20 +/- 1.06   0.075% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   LYS+  99  11.71 +/- 1.02   0.027% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG12  ILE   89  15.49 +/- 0.92   0.004% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   89 - HG3   LYS+  99  21.93 +/- 0.88   0.001% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  16.06 +/- 1.55   0.004% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  14.65 +/- 1.11   0.007% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   LYS+  99  18.23 +/- 2.27   0.002% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  20.85 +/- 0.96   0.001% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  23.40 +/- 0.74   0.000% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  18.16 +/- 0.64   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  15.79 +/- 1.25   0.004% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  25.82 +/- 0.95   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  25.64 +/- 1.46   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  30.00 +/- 0.98   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1042 (1.74, 1.22, 26.04 ppm):
    12 chemical-shift based assignments, quality = 0.67, support = 5.27, residual support = 207.1:
    * O T HB    ILE   89 - HG12  ILE   89   2.63 +/- 0.16  32.790% * 78.0851% (0.80  10.0 10.00   5.18 215.25) =  81.129%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.90 +/- 0.27  21.254% * 14.8429% (0.15  10.0  1.00   5.00 171.88) =   9.996%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.51 +/- 0.21  45.901% *  6.1021% (0.06  10.0 10.00   6.44 171.88) =   8.875%  kept
        T HB    VAL   43 - HG12  ILE   89   8.04 +/- 0.53   0.042% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.82 +/- 0.95   0.002% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.75 +/- 1.06   0.009% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  13.22 +/- 1.49   0.003% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  18.49 +/- 0.96   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  22.18 +/- 1.19   0.000% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  19.03 +/- 1.39   0.000% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  18.69 +/- 0.58   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  27.01 +/- 1.04   0.000% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.11, residual support = 215.2:
    * O T QG2   ILE   89 - HG12  ILE   89   3.15 +/- 0.13  68.485% * 99.5013% (1.00  10.0 10.00   6.11 215.25) =  99.997%  kept
          QD1   LEU  104 - HG3   LYS+  99   3.69 +/- 0.48  31.025% *  0.0062% (0.06   1.0  1.00   0.02  17.12) =   0.003%
          QG1   VAL   83 - HG12  ILE   89   7.51 +/- 0.78   0.479% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HG3   LYS+  99  18.05 +/- 0.87   0.002% *  0.4035% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG12  ILE   89  14.98 +/- 1.13   0.007% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+  99  18.08 +/- 1.18   0.002% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 90.1:
    * O T HB2   GLN   90 - HA    GLN   90   2.50 +/- 0.21  99.983% * 98.5005% (0.78  10.0 10.00   3.96  90.06) = 100.000%  kept
        T HB3   GLU-  79 - HA    GLN   90  11.89 +/- 1.89   0.017% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   90  23.05 +/- 1.39   0.000% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  22.63 +/- 1.52   0.000% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  26.17 +/- 0.96   0.000% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  30.24 +/- 0.78   0.000% *  0.0243% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 90.1:
    * O T HB3   GLN   90 - HA    GLN   90   2.94 +/- 0.13  98.916% * 99.0333% (0.82  10.0 10.00   3.97  90.06) =  99.999%  kept
          QB    LYS+  81 - HA    GLN   90   7.40 +/- 1.26   0.770% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HA    GLN   90   7.95 +/- 0.36   0.271% *  0.0577% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   90  12.23 +/- 0.79   0.021% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   90  14.24 +/- 1.75   0.010% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   90  15.52 +/- 1.95   0.007% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  18.55 +/- 1.28   0.002% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  19.41 +/- 1.26   0.001% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   90  19.29 +/- 0.76   0.001% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  22.62 +/- 1.02   0.001% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  20.88 +/- 1.52   0.001% *  0.0366% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  27.87 +/- 1.98   0.000% *  0.0624% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  29.49 +/- 0.77   0.000% *  0.0990% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.31, residual support = 90.1:
    * O T QG    GLN   90 - HA    GLN   90   2.58 +/- 0.38  99.910% * 99.3855% (0.88  10.0 10.00   3.31  90.06) = 100.000%  kept
          HG3   MET   92 - HA    GLN   90   9.00 +/- 0.51   0.081% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   90  12.94 +/- 1.50   0.007% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   90  18.74 +/- 1.29   0.001% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  18.99 +/- 0.87   0.001% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  23.92 +/- 1.70   0.000% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  24.90 +/- 2.27   0.000% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  21.96 +/- 1.46   0.000% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  33.40 +/- 1.79   0.000% *  0.0761% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 90.1:
    * O T HA    GLN   90 - HB2   GLN   90   2.50 +/- 0.21  99.972% * 98.8405% (0.78  10.0 10.00   3.96  90.06) = 100.000%  kept
        T HA    GLN   90 - HB3   GLU-  79  11.89 +/- 1.89   0.017% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  13.76 +/- 1.77   0.006% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  17.98 +/- 1.16   0.001% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  15.11 +/- 1.59   0.002% *  0.0156% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  17.58 +/- 0.74   0.001% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  18.69 +/- 0.41   0.001% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  20.64 +/- 1.54   0.000% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  22.35 +/- 1.26   0.000% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  21.46 +/- 0.74   0.000% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 90.1:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  99.917% * 96.7995% (0.67  10.0 10.00   3.99  90.06) = 100.000%  kept
          QB    LYS+  81 - HB2   GLN   90   7.70 +/- 2.12   0.043% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   GLU-  79   6.82 +/- 0.35   0.030% *  0.0752% (0.52   1.0  1.00   0.02   1.50) =   0.000%
        T HB3   GLN   90 - HB3   GLU-  79  13.91 +/- 2.26   0.001% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   90   8.86 +/- 0.77   0.007% *  0.0564% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  13.06 +/- 1.34   0.001% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  15.70 +/- 1.60   0.000% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  14.10 +/- 0.94   0.000% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  16.95 +/- 1.73   0.000% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  16.44 +/- 2.12   0.000% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  17.86 +/- 0.82   0.000% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  17.59 +/- 0.87   0.000% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  19.31 +/- 1.69   0.000% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  19.95 +/- 1.63   0.000% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  18.83 +/- 2.00   0.000% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  20.50 +/- 1.31   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HB2   GLN   90  31.01 +/- 0.57   0.000% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  21.23 +/- 1.14   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  24.20 +/- 0.83   0.000% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  22.96 +/- 1.29   0.000% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  23.88 +/- 1.15   0.000% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  22.63 +/- 1.14   0.000% *  0.0358% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  23.38 +/- 1.47   0.000% *  0.0259% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  27.73 +/- 0.91   0.000% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  27.13 +/- 1.41   0.000% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  29.79 +/- 1.68   0.000% *  0.0610% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.63, residual support = 90.1:
    * O T QG    GLN   90 - HB2   GLN   90   2.36 +/- 0.13  99.944% * 96.7466% (0.72  10.0 10.00   3.63  90.06) = 100.000%  kept
        T QG    GLN   90 - HB3   GLU-  79  10.95 +/- 2.78   0.024% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB3   GLU-  79  14.32 +/- 1.12   0.002% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLN   90   9.94 +/- 0.57   0.020% *  0.0166% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  79  12.95 +/- 0.64   0.004% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLN   90  15.12 +/- 1.08   0.002% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  16.40 +/- 0.91   0.001% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  18.85 +/- 1.67   0.000% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  79  26.67 +/- 1.98   0.000% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  23.58 +/- 1.54   0.000% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  20.05 +/- 1.29   0.000% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  20.90 +/- 1.04   0.000% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  16.82 +/- 2.66   0.002% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  20.47 +/- 1.03   0.000% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLN   90  35.28 +/- 1.77   0.000% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  25.81 +/- 1.47   0.000% *  0.1076% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  26.82 +/- 2.09   0.000% *  0.1057% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  23.59 +/- 1.08   0.000% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.97, residual support = 90.1:
    * O T HA    GLN   90 - HB3   GLN   90   2.94 +/- 0.13  99.943% * 99.7400% (0.82  10.0 10.00   3.97  90.06) = 100.000%  kept
          HA    ALA  110 - HB3   GLN   90  13.07 +/- 2.20   0.042% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLN   90  17.75 +/- 1.05   0.002% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  14.19 +/- 1.75   0.011% *  0.0157% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  18.05 +/- 0.59   0.002% *  0.0495% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 90.1:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.999% * 98.2851% (0.67  10.0 10.00   3.99  90.06) = 100.000%  kept
        T HB3   GLU-  79 - HB3   GLN   90  13.91 +/- 2.26   0.001% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  24.54 +/- 1.72   0.000% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  24.03 +/- 2.11   0.000% *  0.0744% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  27.24 +/- 1.18   0.000% *  0.1203% (0.82   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  38 - HB3   GLN   90  31.20 +/- 0.84   0.000% *  0.2429% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.63, residual support = 90.1:
    * O T QG    GLN   90 - HB3   GLN   90   2.42 +/- 0.14  99.967% * 99.3855% (0.75  10.0 10.00   3.63  90.06) = 100.000%  kept
          HG3   MET   92 - HB3   GLN   90   9.65 +/- 0.65   0.030% *  0.0171% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLN   90  14.78 +/- 0.97   0.002% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  20.55 +/- 1.00   0.000% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  19.75 +/- 1.20   0.000% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  25.50 +/- 1.49   0.000% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  26.68 +/- 2.03   0.000% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  23.44 +/- 1.94   0.000% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  35.09 +/- 1.71   0.000% *  0.0761% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.31, residual support = 90.1:
    * O T HA    GLN   90 - QG    GLN   90   2.58 +/- 0.38  99.864% * 99.7400% (0.88  10.0 10.00   3.31  90.06) = 100.000%  kept
          HA    ALA  110 - QG    GLN   90  12.36 +/- 2.17   0.090% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  12.84 +/- 2.26   0.040% *  0.0157% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QG    GLN   90  16.43 +/- 0.98   0.002% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   90  15.19 +/- 0.69   0.004% *  0.0495% (0.44   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.63, residual support = 90.1:
    * O T HB2   GLN   90 - QG    GLN   90   2.36 +/- 0.13  99.975% * 97.8434% (0.72  10.0 10.00   3.63  90.06) = 100.000%  kept
        T HB3   GLU-  79 - QG    GLN   90  10.95 +/- 2.78   0.024% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - QG    GLN   90  19.84 +/- 2.03   0.000% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QG    GLN   90  20.33 +/- 1.61   0.000% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  23.03 +/- 0.95   0.000% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  26.64 +/- 0.73   0.000% *  0.0242% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.749, support = 3.63, residual support = 90.1:
    * O T HB3   GLN   90 - QG    GLN   90   2.42 +/- 0.14  97.123% * 98.5216% (0.75  10.0 10.00   3.63  90.06) =  99.996%  kept
          QB    LYS+  81 - QG    GLN   90   6.23 +/- 2.55   2.765% *  0.1058% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   MET   92 - QG    GLN   90   8.65 +/- 0.82   0.073% *  0.5741% (0.44   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG    GLN   90  10.70 +/- 1.85   0.030% *  0.1089% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    GLN   90  13.99 +/- 1.52   0.003% *  0.1116% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  15.54 +/- 1.47   0.002% *  0.0715% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  15.86 +/- 2.12   0.002% *  0.0668% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  17.19 +/- 1.92   0.001% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  17.25 +/- 1.36   0.001% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  20.01 +/- 1.00   0.000% *  0.0901% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  19.92 +/- 0.83   0.000% *  0.0364% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  25.96 +/- 0.78   0.000% *  0.0985% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  25.37 +/- 1.48   0.000% *  0.0621% (0.47   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (2.27, 2.27, 34.07 ppm):
    1 diagonal assignment:
    *     QG    GLN   90 - QG    GLN   90  (0.80)  kept
 
    Peak 1061 (4.49, 4.49, 51.73 ppm):
    1 diagonal assignment:
    *     HA    ALA   91 - HA    ALA   91  (1.00)  kept
 
    Peak 1062 (1.25, 4.49, 51.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.26, residual support = 12.9:
    * O T QB    ALA   91 - HA    ALA   91   2.14 +/- 0.02  99.979% * 98.3255% (1.00  10.0 10.00   2.26  12.88) = 100.000%  kept
          QG2   ILE   56 - HA    ALA   91   9.41 +/- 1.28   0.019% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ALA   91  16.69 +/- 1.00   0.000% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ALA   91  14.07 +/- 0.97   0.001% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ALA   91  22.68 +/- 0.76   0.000% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  20.84 +/- 0.41   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  23.07 +/- 0.65   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  24.35 +/- 0.85   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  26.55 +/- 0.83   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  31.80 +/- 1.19   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.26, residual support = 12.9:
    * O T HA    ALA   91 - QB    ALA   91   2.14 +/- 0.02  98.084% * 99.0540% (1.00  10.0 10.00   2.26  12.88) = 100.000%  kept
          HA    ALA  110 - QB    ALA   91   7.77 +/- 2.18   1.699% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   91   9.53 +/- 1.98   0.033% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   23   6.67 +/- 0.65   0.131% *  0.0096% (0.10   1.0  1.00   0.02   1.11) =   0.000%
          HA    PRO   52 - QB    ALA   91   8.31 +/- 1.17   0.041% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   39  10.70 +/- 1.09   0.009% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   23  16.69 +/- 1.00   0.000% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  16.91 +/- 0.39   0.000% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   39  22.68 +/- 0.76   0.000% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  16.95 +/- 0.52   0.000% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  20.07 +/- 0.63   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  20.45 +/- 1.59   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  24.03 +/- 0.69   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  20.51 +/- 1.02   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  20.54 +/- 1.30   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (1.25, 1.25, 21.56 ppm):
    3 diagonal assignments:
    *     QB    ALA   91 - QB    ALA   91  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.47)  kept
          QG2   THR   23 - QG2   THR   23  (0.02)  kept
 
    Peak 1065 (5.07, 3.58, 50.24 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 5.31, residual support = 132.3:
    * O T HA    PRO   93 - HD2   PRO   93   3.98 +/- 0.00 100.000% *100.0000% (0.73  10.0 10.00   5.31 132.30) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.06, 3.58, 50.24 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.3:
    * O T HB2   PRO   93 - HD2   PRO   93   3.94 +/- 0.09  70.797% * 99.2584% (0.73  10.0 10.00   5.40 132.30) =  99.985%  kept
          HG3   PRO   52 - HD2   PRO   93   5.13 +/- 1.34  26.491% *  0.0306% (0.22   1.0  1.00   0.02   1.02) =   0.012%
          HB    VAL  108 - HD2   PRO   93   7.26 +/- 0.81   2.281% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.003%
          HB2   ARG+  54 - HD2   PRO   93  10.40 +/- 1.19   0.292% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD2   PRO   93  12.30 +/- 1.34   0.099% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   PRO   93  14.56 +/- 1.18   0.035% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   PRO   93  23.40 +/- 0.64   0.002% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   PRO   93  21.82 +/- 0.48   0.002% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  26.85 +/- 0.38   0.001% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  27.56 +/- 1.40   0.001% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  37.32 +/- 1.77   0.000% *  0.0408% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1067 (1.81, 3.58, 50.24 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.3:
    * O T HG2   PRO   93 - HD2   PRO   93   2.33 +/- 0.12  98.794% * 99.4388% (0.73  10.0 10.00   4.00 132.30) = 100.000%  kept
          HB3   PRO   52 - HD2   PRO   93   5.15 +/- 0.82   1.202% *  0.0307% (0.22   1.0  1.00   0.02   1.02) =   0.000%
          QB    LYS+  66 - HD2   PRO   93  16.99 +/- 1.08   0.001% *  0.0892% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD2   PRO   93  17.16 +/- 0.78   0.001% *  0.0831% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  17.21 +/- 0.78   0.001% *  0.0563% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  20.31 +/- 0.63   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   93  19.73 +/- 0.82   0.000% *  0.0722% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  20.31 +/- 0.82   0.000% *  0.0796% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  19.69 +/- 1.14   0.000% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  22.22 +/- 0.83   0.000% *  0.0276% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (3.58, 3.58, 50.24 ppm):
    1 diagonal assignment:
    *     HD2   PRO   93 - HD2   PRO   93  (0.53)  kept
 
    Peak 1069 (3.34, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.3:
    * O T HD3   PRO   93 - HD2   PRO   93   1.75 +/- 0.00  99.819% * 98.6805% (0.65  10.0 10.00   4.00 132.30) = 100.000%  kept
          QB    PHE   55 - HD2   PRO   93   6.23 +/- 1.33   0.131% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   93   6.80 +/- 1.16   0.046% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   93  10.44 +/- 1.30   0.003% *  0.0579% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   93  12.19 +/- 0.94   0.001% *  0.1100% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD2   PRO   93  21.94 +/- 1.50   0.000% *  0.9545% (0.63   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1070 (5.07, 3.34, 50.24 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.3:
    * O T HA    PRO   93 - HD3   PRO   93   3.79 +/- 0.00  99.994% * 99.8223% (0.90  10.0 10.00   5.31 132.30) = 100.000%  kept
        T HA    PRO   93 - HD3   PRO   68  19.49 +/- 1.26   0.006% *  0.1777% (0.16   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.88, support = 5.29, residual support = 128.8:
    * O T HB2   PRO   93 - HD3   PRO   93   3.86 +/- 0.29  45.209% * 95.1516% (0.90  10.0 10.00   5.40 132.30) =  97.316%  kept
          HG3   PRO   52 - HD3   PRO   93   3.88 +/- 1.43  53.694% *  2.2026% (0.28   1.0  1.00   1.50   1.02) =   2.676%  kept
        T HB2   ARG+  54 - HD3   PRO   93   9.00 +/- 1.13   0.393% *  0.8254% (0.78   1.0 10.00   0.02   0.02) =   0.007%
          HB    VAL  108 - HD3   PRO   93   8.83 +/- 0.86   0.410% *  0.0762% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HD3   PRO   93  11.77 +/- 1.22   0.084% *  0.0294% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   68  14.76 +/- 1.15   0.020% *  0.0636% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   68  11.55 +/- 2.31   0.130% *  0.0096% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   93  15.03 +/- 1.16   0.019% *  0.0539% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HD3   PRO   68  18.59 +/- 1.46   0.005% *  0.1693% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   93  23.37 +/- 0.72   0.001% *  0.2646% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   68  18.54 +/- 1.04   0.004% *  0.0471% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   93  27.19 +/- 1.43   0.000% *  0.3571% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HD3   PRO   68  23.44 +/- 1.97   0.001% *  0.1469% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   68  21.62 +/- 2.04   0.002% *  0.0696% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   93  21.94 +/- 0.56   0.001% *  0.0539% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  17.44 +/- 0.95   0.007% *  0.0096% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  15.87 +/- 1.42   0.011% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  17.51 +/- 1.45   0.006% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  20.77 +/- 1.49   0.002% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   93  36.96 +/- 1.86   0.000% *  0.3912% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  27.73 +/- 0.38   0.000% *  0.0463% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  25.02 +/- 1.69   0.001% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.886, support = 3.94, residual support = 130.0:
    * O T HG2   PRO   93 - HD3   PRO   93   2.88 +/- 0.13  75.966% * 88.9398% (0.90  10.0 10.00   4.00 132.30) =  98.220%  kept
        T HB3   PRO   52 - HD3   PRO   93   4.16 +/- 0.77  11.878% * 10.2941% (0.28   1.0 10.00   0.75   1.02) =   1.778%  kept
          QB    LYS+  66 - HD3   PRO   68   4.58 +/- 0.87  11.118% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HD3   PRO   68   6.73 +/- 0.96   0.785% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   68  10.66 +/- 1.87   0.143% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68  10.65 +/- 2.25   0.070% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   PRO   93  17.07 +/- 1.13   0.002% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD3   PRO   93  16.83 +/- 0.83   0.002% *  0.0743% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD3   PRO   68  20.05 +/- 1.67   0.001% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  11.65 +/- 1.26   0.024% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  18.36 +/- 0.78   0.001% *  0.0504% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  14.88 +/- 1.07   0.005% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  20.61 +/- 0.75   0.001% *  0.0712% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  20.37 +/- 0.74   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  21.41 +/- 0.56   0.000% *  0.0821% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  17.29 +/- 1.62   0.002% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  20.16 +/- 1.16   0.001% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  17.88 +/- 1.54   0.002% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  21.66 +/- 0.83   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  24.76 +/- 1.61   0.000% *  0.0489% (0.05   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (3.58, 3.34, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.3:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  99.998% * 99.5607% (0.65  10.0 10.00   4.00 132.30) = 100.000%  kept
          HA    THR   77 - HD3   PRO   93  11.75 +/- 1.40   0.002% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  19.08 +/- 1.00   0.000% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HD3   PRO   68  21.94 +/- 1.50   0.000% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  21.33 +/- 0.90   0.000% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  24.68 +/- 1.06   0.000% *  0.0219% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1074 (3.34, 3.34, 50.24 ppm):
    2 diagonal assignments:
    *     HD3   PRO   93 - HD3   PRO   93  (0.80)  kept
          HD3   PRO   68 - HD3   PRO   68  (0.14)  kept
 
    Peak 1075 (5.07, 5.07, 63.17 ppm):
    1 diagonal assignment:
    *     HA    PRO   93 - HA    PRO   93  (1.00)  kept
 
    Peak 1076 (2.06, 5.07, 63.17 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 132.3:
    * O T HB2   PRO   93 - HA    PRO   93   2.54 +/- 0.21  99.179% * 99.2584% (1.00  10.0 10.00   5.98 132.30) = 100.000%  kept
          HG3   PRO   52 - HA    PRO   93   6.65 +/- 1.33   0.590% *  0.0306% (0.31   1.0  1.00   0.02   1.02) =   0.000%
          HB    VAL  108 - HA    PRO   93   7.77 +/- 1.06   0.193% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    PRO   93  10.84 +/- 0.89   0.018% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    PRO   93  11.82 +/- 0.89   0.013% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    PRO   93  13.95 +/- 0.87   0.004% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    PRO   93  19.76 +/- 0.66   0.001% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  18.28 +/- 0.51   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  23.91 +/- 1.51   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  24.46 +/- 0.42   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  33.74 +/- 1.87   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 132.3:
    * O T HG2   PRO   93 - HA    PRO   93   3.97 +/- 0.02  96.798% * 99.4388% (1.00  10.0 10.00   5.31 132.30) =  99.999%  kept
          HB3   PRO   52 - HA    PRO   93   7.41 +/- 0.86   3.044% *  0.0307% (0.31   1.0  1.00   0.02   1.02) =   0.001%
          QB    LYS+  66 - HA    PRO   93  15.20 +/- 1.24   0.035% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    PRO   93  15.00 +/- 0.87   0.036% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   93  15.49 +/- 0.79   0.029% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    PRO   93  17.08 +/- 0.64   0.016% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   93  16.87 +/- 0.68   0.017% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   93  19.00 +/- 0.42   0.008% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   93  19.00 +/- 0.89   0.008% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    PRO   93  18.78 +/- 0.86   0.009% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (3.58, 5.07, 63.17 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.31, residual support = 132.3:
    * O T HD2   PRO   93 - HA    PRO   93   3.98 +/- 0.00  99.385% * 99.7770% (0.73  10.0 10.00   5.31 132.30) =  99.999%  kept
          HA    THR   77 - HA    PRO   93   9.70 +/- 0.90   0.588% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   27 - HA    PRO   93  15.70 +/- 0.86   0.028% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.40 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.3:
    * O T HD3   PRO   93 - HA    PRO   93   3.79 +/- 0.00  78.853% * 98.6805% (0.90  10.0 10.00   5.31 132.30) =  99.971%  kept
          HB3   CYS   53 - HA    PRO   93   5.39 +/- 1.33  18.800% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.026%
          QB    PHE   55 - HA    PRO   93   7.61 +/- 0.76   1.438% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HA    PRO   93   9.50 +/- 1.47   0.838% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HA    PRO   93  12.45 +/- 0.94   0.066% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HA    PRO   93  19.49 +/- 1.26   0.005% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1081 (2.06, 2.06, 34.10 ppm):
    2 diagonal assignments:
    *     HB2   PRO   93 - HB2   PRO   93  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.02)  kept
 
    Peak 1082 (1.81, 2.06, 34.10 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.3:
    * O T HG2   PRO   93 - HB2   PRO   93   2.62 +/- 0.32  99.244% * 99.0260% (1.00  10.0 10.00   5.40 132.30) =  99.999%  kept
        T HB3   PRO   52 - HB2   PRO   93   7.21 +/- 1.01   0.465% *  0.3056% (0.31   1.0 10.00   0.02   1.02) =   0.001%
          HB2   LEU   71 - HG3   GLN   30   8.85 +/- 1.84   0.171% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   GLN   30   9.85 +/- 1.64   0.087% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   93  14.05 +/- 1.22   0.005% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   PRO   93  14.05 +/- 0.72   0.005% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HG3   GLN   30  13.57 +/- 1.07   0.007% *  0.0215% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  15.91 +/- 1.37   0.002% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   PRO   93  17.37 +/- 0.93   0.002% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   93  17.47 +/- 0.81   0.001% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  19.13 +/- 1.03   0.001% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  17.26 +/- 1.13   0.001% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  18.73 +/- 0.97   0.001% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  23.02 +/- 0.71   0.000% *  0.0772% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  17.39 +/- 1.40   0.002% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  16.29 +/- 1.06   0.002% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  17.83 +/- 0.99   0.001% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  18.52 +/- 0.86   0.001% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  26.47 +/- 1.87   0.000% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  26.69 +/- 0.85   0.000% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1083 (3.58, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.3:
    * O T HD2   PRO   93 - HB2   PRO   93   3.94 +/- 0.09  96.521% * 99.6822% (0.73  10.0 10.00   5.40 132.30) = 100.000%  kept
          HB2   TRP   27 - HG3   GLN   30   7.00 +/- 0.43   3.279% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HB2   PRO   93  11.86 +/- 1.03   0.164% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB2   PRO   93  17.33 +/- 0.88   0.014% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HG3   GLN   30  16.34 +/- 0.78   0.020% *  0.0096% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HG3   GLN   30  23.40 +/- 0.64   0.002% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.65 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 = 5.4, residual support = 132.2:
    * O T HD3   PRO   93 - HB2   PRO   93   3.86 +/- 0.29  64.199% * 97.4649% (0.90  10.0 10.00   5.40 132.30) =  99.942%  kept
          HB3   CYS   53 - HB2   PRO   93   5.53 +/- 2.19  27.423% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.047%
          QB    PHE   55 - HB2   PRO   93   6.33 +/- 0.92   4.188% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.006%
          HB2   PHE   59 - HB2   PRO   93   7.77 +/- 1.35   4.075% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.004%
        T HD2   ARG+  54 - HB2   PRO   93  11.62 +/- 1.66   0.093% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   PRO   68 - HB2   PRO   93  18.59 +/- 1.46   0.007% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG3   GLN   30  18.54 +/- 1.04   0.006% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG3   GLN   30  23.37 +/- 0.72   0.002% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   GLN   30  28.14 +/- 1.92   0.001% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  21.85 +/- 1.27   0.002% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  22.55 +/- 1.22   0.002% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  23.98 +/- 0.80   0.001% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1085 (5.07, 1.81, 24.81 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.31, residual support = 132.3:
    * O T HA    PRO   93 - HG2   PRO   93   3.97 +/- 0.02 100.000% *100.0000% (1.00  10.0 10.00   5.31 132.30) = 100.000%  kept
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.06, 1.81, 24.81 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.3:
    * O T HB2   PRO   93 - HG2   PRO   93   2.62 +/- 0.32  97.454% * 98.7141% (1.00  10.0 10.00   5.40 132.30) =  99.993%  kept
        T HG3   PRO   52 - HG2   PRO   93   6.36 +/- 1.63   2.163% *  0.3047% (0.31   1.0 10.00   0.02   1.02) =   0.007%
          HB    VAL  108 - HG2   PRO   93   7.44 +/- 0.75   0.251% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   PRO   93  10.32 +/- 1.40   0.049% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   PRO   93   9.83 +/- 1.18   0.069% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   PRO   93  12.44 +/- 1.21   0.014% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   PRO   93  23.02 +/- 0.71   0.000% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   PRO   93  21.42 +/- 0.60   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  26.03 +/- 0.64   0.000% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  26.44 +/- 1.31   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  36.10 +/- 1.70   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (1.81, 1.81, 24.81 ppm):
    1 diagonal assignment:
    *     HG2   PRO   93 - HG2   PRO   93  (1.00)  kept
 
    Peak 1088 (3.58, 1.81, 24.81 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.3:
    * O T HD2   PRO   93 - HG2   PRO   93   2.33 +/- 0.12  99.996% * 99.7770% (0.73  10.0 10.00   4.00 132.30) = 100.000%  kept
          HA    THR   77 - HG2   PRO   93  13.23 +/- 1.11   0.004% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG2   PRO   93  19.26 +/- 0.84   0.000% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1089 (3.34, 1.81, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 4.0, residual support = 132.3:
    * O T HD3   PRO   93 - HG2   PRO   93   2.88 +/- 0.13  92.483% * 98.6805% (0.90  10.0 10.00   4.00 132.30) =  99.993%  kept
          QB    PHE   55 - HG2   PRO   93   5.27 +/- 1.19   6.036% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.006%
          HB3   CYS   53 - HG2   PRO   93   6.60 +/- 1.21   1.183% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   PRO   93   8.29 +/- 1.26   0.271% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   93  11.58 +/- 1.12   0.027% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   PRO   93  20.05 +/- 1.67   0.001% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.67 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   3.05 +/- 0.02  99.842% * 99.2375% (0.84  10.0 10.00   2.43  25.25) = 100.000%  kept
          QB    SER  117 - HA    THR   94  11.24 +/- 1.06   0.052% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    THR   94  12.60 +/- 0.55   0.021% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HA    THR   94  13.31 +/- 0.59   0.015% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    THR   94  10.98 +/- 0.71   0.049% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    THR   94  14.51 +/- 0.62   0.009% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    THR   94  16.42 +/- 0.54   0.004% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    THR   94  16.07 +/- 1.00   0.005% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    THR   94  18.13 +/- 0.76   0.002% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  20.85 +/- 0.99   0.001% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.95, residual support = 25.3:
    * O T QG2   THR   94 - HA    THR   94   2.33 +/- 0.16  99.979% * 99.7175% (1.00  10.0 10.00   2.95  25.25) = 100.000%  kept
          HG13  ILE  103 - HA    THR   94  10.48 +/- 0.70   0.014% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    THR   94  13.50 +/- 0.82   0.003% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    THR   94  14.05 +/- 1.23   0.003% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  16.09 +/- 1.55   0.001% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.05 +/- 0.02  99.828% * 99.9751% (0.84  10.0 10.00   2.43  25.25) = 100.000%  kept
          HA    LYS+  74 - HB    THR   94   8.96 +/- 0.65   0.172% *  0.0249% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.15 +/- 0.02  99.992% * 99.7175% (0.84  10.0 10.00   2.43  25.25) = 100.000%  kept
          HG13  ILE  103 - HB    THR   94  10.94 +/- 0.70   0.006% *  0.0308% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB    THR   94  16.05 +/- 0.91   0.001% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  15.71 +/- 1.32   0.001% *  0.0724% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    THR   94  16.47 +/- 1.34   0.001% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.95, residual support = 25.3:
    * O T HA    THR   94 - QG2   THR   94   2.33 +/- 0.16  99.947% * 99.9751% (1.00  10.0 10.00   2.95  25.25) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94   8.79 +/- 0.72   0.053% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.15 +/- 0.02  99.948% * 99.2375% (0.84  10.0 10.00   2.43  25.25) = 100.000%  kept
          QB    SER   85 - QG2   THR   94   8.62 +/- 0.51   0.026% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   THR   94  11.30 +/- 0.69   0.005% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QG2   THR   94  10.69 +/- 1.02   0.009% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  10.50 +/- 0.55   0.008% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  13.60 +/- 0.39   0.002% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  14.49 +/- 0.70   0.001% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  15.23 +/- 0.53   0.001% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QG2   THR   94  16.37 +/- 0.68   0.001% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  18.17 +/- 0.97   0.000% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.98 +/- 0.12 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.51) = 100.000%  kept
    Distance limit 3.67 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   2.76 +/- 0.17  99.992% * 99.8670% (1.00  10.0 10.00   4.00  73.51) = 100.000%  kept
          HG2   GLN  116 - HA    PHE   95  14.23 +/- 1.37   0.007% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    PHE   95  19.60 +/- 0.92   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.98 +/- 0.12 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.51) = 100.000%  kept
    Distance limit 3.76 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% * 99.8670% (1.00  10.0 10.00   3.31  73.51) = 100.000%  kept
          HG2   GLN  116 - HB2   PHE   95  11.63 +/- 1.22   0.001% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   PHE   95  22.46 +/- 0.90   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.76 +/- 0.17 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.51) = 100.000%  kept
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1106 (3.20, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB2   PHE   95 - HB3   PHE   95   1.75 +/- 0.00 100.000% *100.0000% (1.00  10.0 10.00   3.31  73.51) = 100.000%  kept
    Distance limit 2.58 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   3.01 +/- 0.06  98.613% * 99.6213% (0.98  10.0 10.00   5.00 115.54) =  99.999%  kept
          HB2   ASP- 105 - HA    MET   96   6.29 +/- 0.49   1.344% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    MET   96  12.21 +/- 1.43   0.027% *  0.0761% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   96  14.98 +/- 0.90   0.007% *  0.0723% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    MET   96  16.92 +/- 0.85   0.003% *  0.0684% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   96  16.96 +/- 0.54   0.003% *  0.0644% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    MET   96  19.80 +/- 0.82   0.001% *  0.0564% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.73 +/- 0.09  99.978% * 99.7402% (0.98  10.0 10.00   5.00 115.54) = 100.000%  kept
          HB2   LEU   40 - HA    MET   96  11.58 +/- 0.76   0.021% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   96  21.36 +/- 1.30   0.000% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  19.77 +/- 1.08   0.001% *  0.0249% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  30.94 +/- 1.95   0.000% *  0.0685% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.64 +/- 0.51  99.995% * 99.6261% (0.98  10.0 10.00   4.44 115.54) = 100.000%  kept
        T HB2   PRO   52 - HA    MET   96  15.59 +/- 1.37   0.005% *  0.3739% (0.37   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.80 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   2.78 +/- 0.54  99.553% * 99.7437% (0.59  10.0 10.00   4.44 115.54) = 100.000%  kept
          HB3   TRP   87 - HA    MET   96   7.58 +/- 0.65   0.433% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    MET   96  14.73 +/- 0.99   0.009% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    MET   96  16.60 +/- 1.28   0.004% *  0.0457% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    MET   96  21.43 +/- 1.11   0.001% *  0.1374% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.01 +/- 0.06  99.786% * 99.9773% (0.98  10.0 10.00   5.00 115.54) = 100.000%  kept
          HA    PHE   72 - HB2   MET   96   8.64 +/- 0.83   0.214% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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% * 99.7402% (1.00  10.0 10.00   5.00 115.54) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  10.94 +/- 0.83   0.002% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  19.59 +/- 1.34   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  20.77 +/- 1.24   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  29.17 +/- 2.06   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.72 +/- 0.31  99.998% * 99.6261% (1.00  10.0 10.00   4.44 115.54) = 100.000%  kept
        T HB2   PRO   52 - HB2   MET   96  16.85 +/- 1.46   0.002% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.91 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   2.60 +/- 0.31  99.608% * 99.7437% (0.61  10.0 10.00   4.44 115.54) = 100.000%  kept
          HB3   TRP   87 - HB2   MET   96   7.02 +/- 0.78   0.388% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   MET   96  19.13 +/- 1.14   0.001% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   MET   96  15.91 +/- 0.70   0.002% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  19.00 +/- 1.45   0.001% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.73 +/- 0.09  99.933% * 99.9773% (0.98  10.0 10.00   5.00 115.54) = 100.000%  kept
          HA    PHE   72 - HB3   MET   96   9.50 +/- 0.83   0.067% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.992% * 99.6213% (1.00  10.0 10.00   5.00 115.54) = 100.000%  kept
          HB2   ASP- 105 - HB3   MET   96   8.93 +/- 0.46   0.006% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  13.02 +/- 1.43   0.001% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  14.77 +/- 0.54   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  15.52 +/- 0.89   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  16.55 +/- 1.00   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  17.37 +/- 0.98   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.82 +/- 0.19  99.995% * 99.6261% (1.00  10.0 10.00   4.44 115.54) = 100.000%  kept
        T HB2   PRO   52 - HB3   MET   96  15.44 +/- 1.42   0.005% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.76 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   2.88 +/- 0.15  97.824% * 99.7437% (0.61  10.0 10.00   4.44 115.54) =  99.999%  kept
          HB3   TRP   87 - HB3   MET   96   5.70 +/- 0.76   2.170% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HB3   MET   96  15.85 +/- 0.70   0.004% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB3   MET   96  20.69 +/- 1.16   0.001% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  18.50 +/- 1.35   0.002% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.64 +/- 0.51  99.950% * 99.6779% (0.98  10.0 10.00   4.44 115.54) = 100.000%  kept
        T HA    MET   96 - HB2   PRO   52  15.59 +/- 1.37   0.005% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HG2   MET   96  10.89 +/- 0.76   0.044% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HB2   PRO   52  18.63 +/- 1.10   0.002% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.72 +/- 0.31  99.741% * 99.2205% (1.00  10.0 10.00   4.44 115.54) = 100.000%  kept
          HB2   ASP- 105 - HG2   MET   96   8.11 +/- 0.90   0.229% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   MET   96  13.30 +/- 1.18   0.010% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   96 - HB2   PRO   52  16.85 +/- 1.46   0.002% *  0.2915% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   MET   96  14.17 +/- 1.10   0.006% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   MET   96  17.20 +/- 0.79   0.002% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   MET   96  17.90 +/- 0.99   0.001% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  15.50 +/- 1.28   0.004% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  18.72 +/- 1.16   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  17.06 +/- 1.12   0.002% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  20.85 +/- 1.13   0.001% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  22.57 +/- 1.94   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  26.10 +/- 1.30   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  29.92 +/- 1.34   0.000% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.82 +/- 0.19  99.202% * 99.3732% (1.00  10.0 10.00   4.44 115.54) = 100.000%  kept
          HB3   ARG+  54 - HB2   PRO   52   6.62 +/- 0.71   0.769% *  0.0073% (0.07   1.0  1.00   0.02   1.76) =   0.000%
          HB2   LEU   40 - HG2   MET   96  11.75 +/- 0.78   0.023% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   MET   96 - HB2   PRO   52  15.44 +/- 1.42   0.005% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG2   MET   96  21.81 +/- 1.63   0.001% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  21.68 +/- 1.05   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  25.28 +/- 1.02   0.000% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  31.24 +/- 2.17   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  28.50 +/- 1.53   0.000% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  38.45 +/- 2.44   0.000% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.955% * 99.2819% (0.61  10.0 10.00   4.00 115.54) = 100.000%  kept
          HB3   TRP   87 - HG2   MET   96   6.77 +/- 0.72   0.044% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HB2   PRO   52  17.45 +/- 1.65   0.000% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  15.40 +/- 1.16   0.000% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  20.31 +/- 1.25   0.000% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  17.04 +/- 0.98   0.000% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  15.17 +/- 1.60   0.000% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  14.69 +/- 1.60   0.000% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  18.95 +/- 1.42   0.000% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  34.58 +/- 2.16   0.000% *  0.0402% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1128 (5.31, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.595, support = 4.44, residual support = 115.5:
    * O T HA    MET   96 - HG3   MET   96   2.78 +/- 0.54  99.936% * 99.9773% (0.59  10.0 10.00   4.44 115.54) = 100.000%  kept
          HA    PHE   72 - HG3   MET   96  10.80 +/- 0.87   0.064% *  0.0227% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.60 +/- 0.31  99.789% * 99.6213% (0.61  10.0 10.00   4.44 115.54) = 100.000%  kept
          HB2   ASP- 105 - HG3   MET   96   8.22 +/- 0.76   0.195% *  0.0410% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   MET   96  13.22 +/- 1.26   0.008% *  0.0761% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   MET   96  13.95 +/- 1.30   0.005% *  0.0723% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   MET   96  17.28 +/- 0.51   0.002% *  0.0644% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   MET   96  17.90 +/- 1.08   0.001% *  0.0684% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  18.64 +/- 1.07   0.001% *  0.0564% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 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   2.88 +/- 0.15  99.967% * 99.7402% (0.61  10.0 10.00   4.44 115.54) = 100.000%  kept
          HB2   LEU   40 - HG3   MET   96  11.55 +/- 0.97   0.032% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG3   MET   96  21.71 +/- 1.50   0.001% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  21.85 +/- 1.29   0.001% *  0.0249% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  31.07 +/- 2.28   0.000% *  0.0685% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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% * 99.6261% (0.61  10.0 10.00   4.00 115.54) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  17.45 +/- 1.65   0.000% *  0.3739% (0.23   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.47, 2.47, 32.67 ppm):
    1 diagonal assignment:
    *     HG3   MET   96 - HG3   MET   96  (0.37)  kept
 
    Peak 1133 (5.36, 5.36, 56.63 ppm):
    1 diagonal assignment:
    *     HA    PHE   97 - HA    PHE   97  (1.00)  kept
 
    Peak 1134 (2.99, 5.36, 56.63 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.89, residual support = 62.6:
    * O T HB2   PHE   97 - HA    PHE   97   3.04 +/- 0.14  99.148% * 99.7149% (1.00  10.0 10.00   2.89  62.60) = 100.000%  kept
          QE    LYS+ 106 - HA    PHE   97   8.07 +/- 0.73   0.339% *  0.0724% (0.73   1.0  1.00   0.02  10.43) =   0.000%
          QE    LYS+  99 - HA    PHE   97   7.69 +/- 0.75   0.444% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   97  12.39 +/- 0.76   0.024% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    PHE   97  11.93 +/- 1.40   0.035% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    PHE   97  14.55 +/- 1.20   0.010% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.61 +/- 0.08  99.980% * 99.7224% (0.95  10.0 10.00   3.44  62.60) = 100.000%  kept
          HB2   GLU- 100 - HA    PHE   97  11.24 +/- 0.46   0.016% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    PHE   97  16.26 +/- 1.09   0.002% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PHE   97  17.76 +/- 1.22   0.001% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    PHE   97  18.24 +/- 0.95   0.001% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.04 +/- 0.14 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.60) = 100.000%  kept
    Distance limit 3.67 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  99.999% * 99.7224% (0.95  10.0 10.00   3.31  62.60) = 100.000%  kept
          HB2   GLU- 100 - HB2   PHE   97  12.15 +/- 0.74   0.001% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  14.35 +/- 0.93   0.000% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PHE   97  17.52 +/- 1.44   0.000% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  20.20 +/- 0.77   0.000% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.61 +/- 0.08 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.60) = 100.000%  kept
    Distance limit 3.44 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  99.944% * 99.7149% (0.95  10.0 10.00   3.31  62.60) = 100.000%  kept
          QE    LYS+  99 - HB3   PHE   97   6.84 +/- 0.92   0.039% *  0.0410% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB3   PHE   97   7.88 +/- 0.88   0.016% *  0.0724% (0.69   1.0  1.00   0.02  10.43) =   0.000%
          HB3   PHE   60 - HB3   PHE   97  12.79 +/- 1.22   0.001% *  0.0525% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   PHE   97  14.93 +/- 0.80   0.000% *  0.0995% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  14.67 +/- 1.43   0.000% *  0.0197% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 81.1:
    * O T QB    LEU   98 - HA    LEU   98   2.18 +/- 0.06  99.921% * 99.2568% (0.87  10.0 10.00   4.97  81.13) = 100.000%  kept
          HD3   LYS+ 121 - HA    LEU   98  10.49 +/- 1.86   0.025% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LEU   98   8.15 +/- 0.53   0.041% *  0.0226% (0.20   1.0  1.00   0.02   0.77) =   0.000%
          HB3   LEU   67 - HA    LEU   98  12.66 +/- 2.06   0.004% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  12.67 +/- 1.49   0.004% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  16.38 +/- 1.91   0.001% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LEU   98  17.54 +/- 0.90   0.000% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  17.91 +/- 0.93   0.000% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  14.68 +/- 0.97   0.001% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.67 +/- 0.89   0.001% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LEU   98  16.55 +/- 0.50   0.001% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  18.47 +/- 1.01   0.000% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  21.84 +/- 1.69   0.000% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  19.85 +/- 1.11   0.000% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (0.71, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.988, support = 4.64, residual support = 79.8:
    *   T QD1   LEU   98 - HA    LEU   98   2.85 +/- 0.40  74.825% * 94.7912% (1.00 10.00   4.66  81.13) =  98.204%  kept
          QD2   LEU  104 - HA    LEU   98   3.79 +/- 0.89  25.159% *  5.1545% (0.31  1.00   3.52   8.93) =   1.796%  kept
          QG2   ILE   19 - HA    LEU   98  13.67 +/- 0.78   0.008% *  0.0356% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  14.29 +/- 1.23   0.007% *  0.0188% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1145 (0.55, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 4.33, residual support = 80.2:
    *   T QD2   LEU   98 - HA    LEU   98   3.88 +/- 0.22  79.020% * 92.6976% (1.00 10.00   4.39  81.13) =  98.253%  kept
          QG2   VAL   41 - HA    LEU   98   5.09 +/- 0.63  20.548% *  6.3374% (0.95  1.00   1.45  25.33) =   1.747%  kept
        T QD1   LEU   80 - HA    LEU   98  16.05 +/- 0.84   0.017% *  0.9270% (1.00 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   98   9.72 +/- 0.97   0.415% *  0.0381% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 81.1:
    * O T HA    LEU   98 - QB    LEU   98   2.18 +/- 0.06 100.000% *100.0000% (0.87  10.0 10.00   4.97  81.13) = 100.000%  kept
    Distance limit 3.12 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 = 3.68, residual support = 81.1:
    * O T QD1   LEU   98 - QB    LEU   98   2.21 +/- 0.15  97.774% * 99.3996% (0.87  10.0 10.00   3.68  81.13) =  99.999%  kept
          QD2   LEU  104 - QB    LEU   98   4.89 +/- 0.81   2.214% *  0.0307% (0.27   1.0  1.00   0.02   8.93) =   0.001%
        T QG2   ILE   19 - QB    LEU   98  11.16 +/- 0.81   0.007% *  0.3731% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   19 - QB    LEU   98  11.87 +/- 1.16   0.005% *  0.1967% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 0.859, support = 3.31, residual support = 70.5:
    * O T QD2   LEU   98 - QB    LEU   98   2.07 +/- 0.09  80.112% * 51.1151% (0.87  10.0 10.00   3.44  81.13) =  80.991%  kept
        T QG2   VAL   41 - QB    LEU   98   2.86 +/- 0.50  19.877% * 48.3528% (0.82   1.0 10.00   2.77  25.33) =  19.009%  kept
        T QD1   LEU   80 - QB    LEU   98  13.17 +/- 0.79   0.001% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QB    LEU   98   9.58 +/- 0.85   0.010% *  0.0210% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1150 (5.51, 0.71, 25.69 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.66, residual support = 81.1:
    *   T HA    LEU   98 - QD1   LEU   98   2.85 +/- 0.40 100.000% *100.0000% (1.00 10.00   4.66  81.13) = 100.000%  kept
    Distance limit 3.22 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.68, residual support = 81.1:
    * O T QB    LEU   98 - QD1   LEU   98   2.21 +/- 0.15  99.734% * 98.1517% (0.87  10.0 10.00   3.68  81.13) = 100.000%  kept
          HB    VAL   42 - QD1   LEU   98   7.00 +/- 0.93   0.170% *  0.0224% (0.20   1.0  1.00   0.02   0.77) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   98  10.14 +/- 1.66   0.028% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   19 - QD1   LEU   98  13.24 +/- 1.64   0.004% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - QD1   LEU   98  12.96 +/- 1.16   0.003% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98   9.27 +/- 1.18   0.037% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   LEU   98  12.41 +/- 1.02   0.004% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   98  13.20 +/- 0.88   0.003% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   98  12.98 +/- 1.06   0.003% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  11.74 +/- 1.55   0.008% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  12.24 +/- 0.96   0.004% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   98  13.60 +/- 0.98   0.002% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   98  18.55 +/- 1.49   0.000% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  16.93 +/- 1.16   0.001% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.82, residual support = 81.1:
    * O T QD2   LEU   98 - QD1   LEU   98   2.05 +/- 0.05  94.184% * 98.8770% (1.00  10.0 10.00   2.82  81.13) =  99.994%  kept
          QG2   VAL   41 - QD1   LEU   98   3.80 +/- 0.61   5.787% *  0.0935% (0.95   1.0  1.00   0.02  25.33) =   0.006%
        T QD1   LEU   80 - QD1   LEU   98  11.39 +/- 0.95   0.004% *  0.9888% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD1   LEU   98   8.66 +/- 1.28   0.025% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1154 (5.51, 0.55, 25.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.39, residual support = 81.1:
    *   T HA    LEU   98 - QD2   LEU   98   3.88 +/- 0.22  99.978% * 99.4301% (1.00 10.00   4.39  81.13) = 100.000%  kept
        T HA    LEU   98 - QD1   LEU   80  16.05 +/- 0.84   0.022% *  0.5699% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 0.709, support = 3.68, residual support = 79.8:
    * O T QB    LEU   98 - QD2   LEU   98   2.07 +/- 0.09  44.493% * 50.3539% (0.87  10.0 10.00   3.44  81.13) =  66.355%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.11 +/- 0.02  40.191% * 16.1964% (0.28  10.0  1.00   4.04  77.13) =  19.279%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.57 +/- 0.35  15.105% * 32.1120% (0.55  10.0 10.00   4.31  77.13) =  14.366%  kept
          HB3   LYS+  74 - QD1   LEU   80   7.36 +/- 1.34   0.039% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   98   6.17 +/- 0.97   0.107% *  0.0115% (0.20   1.0  1.00   0.02   0.77) =   0.000%
        T HB2   LEU   80 - QD2   LEU   98  11.52 +/- 0.96   0.002% *  0.5602% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98   7.96 +/- 1.52   0.029% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   LEU   80  13.17 +/- 0.79   0.001% *  0.2886% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   98  11.44 +/- 1.38   0.002% *  0.0580% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80   8.11 +/- 0.95   0.015% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   98  12.19 +/- 1.19   0.001% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   98  11.87 +/- 1.71   0.002% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  10.48 +/- 0.76   0.003% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  12.00 +/- 0.95   0.001% *  0.0283% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  11.40 +/- 1.70   0.002% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  11.93 +/- 0.80   0.001% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  13.60 +/- 1.00   0.001% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  13.39 +/- 1.16   0.001% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  13.93 +/- 1.31   0.001% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  13.35 +/- 0.87   0.001% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  17.34 +/- 1.53   0.000% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  13.14 +/- 0.73   0.001% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  14.59 +/- 1.59   0.000% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  18.03 +/- 1.35   0.000% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  16.54 +/- 1.47   0.000% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  20.66 +/- 1.50   0.000% *  0.0333% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  17.80 +/- 1.23   0.000% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  18.34 +/- 1.52   0.000% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1156 (0.71, 0.55, 25.87 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.82, residual support = 81.1:
    * O T QD1   LEU   98 - QD2   LEU   98   2.05 +/- 0.05  99.778% * 98.8641% (1.00  10.0 10.00   2.82  81.13) =  99.999%  kept
        T QD2   LEU  104 - QD2   LEU   98   6.26 +/- 0.64   0.159% *  0.3051% (0.31   1.0 10.00   0.02   8.93) =   0.000%
        T QD1   LEU   98 - QD1   LEU   80  11.39 +/- 0.95   0.004% *  0.5667% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD1   LEU   80   8.19 +/- 0.84   0.031% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD2   LEU   98   9.42 +/- 0.79   0.013% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98  10.33 +/- 1.07   0.008% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80  10.11 +/- 0.82   0.008% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   80  16.49 +/- 0.69   0.000% *  0.1749% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 171.9:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.01 +/- 0.41  98.332% * 98.7502% (1.00  10.0 10.00   6.44 171.88) =  99.998%  kept
        T HG3   LYS+  38 - HA    LYS+  99   8.86 +/- 1.06   0.234% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    LYS+  99   6.56 +/- 0.59   1.270% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HA    LYS+  99   9.52 +/- 1.07   0.142% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HA    LYS+  99  17.91 +/- 0.67   0.003% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  99  15.04 +/- 1.49   0.010% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  99  18.14 +/- 1.04   0.003% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  99  19.74 +/- 1.15   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  17.37 +/- 1.73   0.004% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  22.93 +/- 1.70   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.579, support = 5.81, residual support = 171.9:
      O T HB3   LYS+  99 - HA    LYS+  99   2.81 +/- 0.28  85.746% * 28.6795% (0.41  10.0 10.00   5.81 171.88) =  71.525%  kept
    *   T QD    LYS+  99 - HA    LYS+  99   3.95 +/- 0.28  14.034% * 69.7607% (1.00   1.0 10.00   5.82 171.88) =  28.475%  kept
        T QD    LYS+ 106 - HA    LYS+  99  11.66 +/- 0.76   0.020% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+  99   8.35 +/- 0.89   0.181% *  0.0155% (0.22   1.0  1.00   0.02   1.48) =   0.000%
          HB2   LEU   73 - HA    LYS+  99  13.16 +/- 1.55   0.014% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  99  17.07 +/- 1.86   0.003% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HA    LYS+  99  17.84 +/- 1.30   0.002% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  99  22.50 +/- 0.67   0.000% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  23.83 +/- 1.81   0.000% *  0.0479% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  21.96 +/- 0.52   0.000% *  0.0262% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.06, residual support = 171.9:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.61 +/- 0.45  96.904% * 98.5233% (1.00  10.0 10.00   7.06 171.88) =  99.998%  kept
        T HG2   LYS+  38 - HA    LYS+  99   8.97 +/- 1.04   0.095% *  0.9657% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LYS+  99   6.05 +/- 0.75   2.956% *  0.0219% (0.22   1.0  1.00   0.02  16.57) =   0.001%
          HB2   LEU   31 - HA    LYS+  99  11.45 +/- 0.86   0.024% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  99  14.63 +/- 0.79   0.005% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  99  14.88 +/- 0.56   0.004% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  14.96 +/- 1.65   0.005% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  99  17.14 +/- 0.85   0.002% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  19.79 +/- 0.85   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  17.77 +/- 0.45   0.002% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  22.52 +/- 2.33   0.000% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  17.89 +/- 0.62   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 171.9:
    *   T QE    LYS+  99 - HA    LYS+  99   3.70 +/- 0.28  97.354% * 98.3577% (1.00 10.00   5.27 171.88) =  99.987%  kept
        T QE    LYS+  38 - HA    LYS+  99   9.09 +/- 1.30   0.795% *  0.8821% (0.90 10.00   0.02   0.02) =   0.007%
        T QE    LYS+ 102 - HA    LYS+  99   8.74 +/- 0.63   0.673% *  0.6756% (0.69 10.00   0.02   1.48) =   0.005%
          HB2   PHE   97 - HA    LYS+  99   7.89 +/- 0.28   1.148% *  0.0404% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    LYS+  99  14.94 +/- 1.06   0.029% *  0.0441% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 171.9:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.69 +/- 0.26  96.079% * 99.5483% (1.00  10.0 10.00   7.00 171.88) =  99.999%  kept
          HA    LEU   40 - HB2   LYS+  99   4.92 +/- 0.86   3.885% *  0.0248% (0.25   1.0  1.00   0.02  13.40) =   0.001%
          HA    ASN   35 - HB2   LYS+  99  11.07 +/- 1.00   0.026% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LYS+  99  14.67 +/- 1.91   0.005% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  21.44 +/- 0.86   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  22.02 +/- 1.69   0.000% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  18.43 +/- 1.34   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  16.89 +/- 1.49   0.002% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  21.63 +/- 2.17   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  21.87 +/- 1.18   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 171.9:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.51 +/- 0.21  99.825% * 98.7502% (1.00  10.0 10.00   6.44 171.88) = 100.000%  kept
        T HG3   LYS+  38 - HB2   LYS+  99  10.57 +/- 1.05   0.025% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  99   8.13 +/- 0.85   0.120% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  99  11.32 +/- 1.79   0.025% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HB2   LYS+  99  18.49 +/- 0.96   0.001% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  99  16.78 +/- 1.69   0.001% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  99  19.25 +/- 1.16   0.001% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  19.71 +/- 1.44   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  17.15 +/- 1.63   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  21.89 +/- 1.73   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.70, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.556, support = 4.89, residual support = 171.9:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  88.175% * 29.0322% (0.41  10.0   4.62 171.88) =  75.434%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.58 +/- 0.34  11.805% * 70.6187% (1.00  10.0   5.69 171.88) =  24.566%  kept
          QD    LYS+ 102 - HB2   LYS+  99   7.95 +/- 1.09   0.018% *  0.0157% (0.22   1.0   0.02   1.48) =   0.000%
          QD    LYS+ 106 - HB2   LYS+  99  10.85 +/- 0.56   0.002% *  0.0705% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  14.85 +/- 1.78   0.000% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  15.47 +/- 1.69   0.000% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  17.42 +/- 1.31   0.000% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  22.36 +/- 0.79   0.000% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  22.64 +/- 1.86   0.000% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  21.73 +/- 0.59   0.000% *  0.0265% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1168 (1.33, 1.77, 37.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.06, residual support = 171.9:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.99 +/- 0.09  99.085% * 99.3871% (1.00  10.0   7.06 171.88) = 100.000%  kept
          HG    LEU   98 - HB2   LYS+  99   7.00 +/- 0.65   0.813% *  0.0221% (0.22   1.0   0.02  16.57) =   0.000%
          HG2   LYS+  38 - HB2   LYS+  99  10.81 +/- 1.17   0.055% *  0.0974% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+  99  13.82 +/- 0.94   0.011% *  0.0830% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  99  14.48 +/- 1.03   0.009% *  0.0563% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  99  13.65 +/- 1.49   0.014% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  15.48 +/- 1.02   0.006% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  99  17.31 +/- 0.97   0.003% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  21.41 +/- 2.33   0.001% *  0.0891% (0.90   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  18.46 +/- 0.69   0.002% *  0.0339% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  21.27 +/- 1.06   0.001% *  0.0683% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  18.68 +/- 0.85   0.002% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 5.05, residual support = 171.9:
    *     QE    LYS+  99 - HB2   LYS+  99   3.38 +/- 0.79  96.235% * 99.0418% (1.00   5.05 171.88) =  99.992%  kept
          HB2   PHE   97 - HB2   LYS+  99   6.99 +/- 0.56   2.260% *  0.1612% (0.41   0.02   0.02) =   0.004%
          QE    LYS+ 102 - HB2   LYS+  99   8.36 +/- 0.97   1.149% *  0.2694% (0.69   0.02   1.48) =   0.003%
          QE    LYS+  38 - HB2   LYS+  99  10.30 +/- 1.58   0.346% *  0.3517% (0.90   0.02   0.02) =   0.001%
          HB3   TRP   27 - HB2   LYS+  99  16.88 +/- 1.24   0.010% *  0.1758% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1170 (4.38, 1.24, 26.01 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 171.9:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.01 +/- 0.41  78.740% * 97.9094% (1.00  10.0 10.00   6.44 171.88) =  99.995%  kept
          HA    LEU   40 - HG3   LYS+  99   4.50 +/- 1.00  12.084% *  0.0244% (0.25   1.0  1.00   0.02  13.40) =   0.004%
          HA    ASN   35 - HG3   LYS+  38   4.86 +/- 0.98   8.582% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  99 - HG3   LYS+  38   8.86 +/- 1.06   0.178% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   LYS+  99  10.03 +/- 1.07   0.074% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  99  15.26 +/- 2.37   0.011% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HG12  ILE   89  17.91 +/- 0.67   0.002% *  0.3971% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   8.14 +/- 0.78   0.298% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  99  23.75 +/- 1.72   0.000% *  0.9262% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG12  ILE   89  17.05 +/- 1.72   0.003% *  0.0376% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  16.54 +/- 1.50   0.003% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  23.33 +/- 1.28   0.000% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  20.50 +/- 0.95   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  19.83 +/- 1.45   0.001% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  21.45 +/- 0.66   0.001% *  0.0383% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  18.36 +/- 0.60   0.002% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  18.66 +/- 1.18   0.002% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  99  20.70 +/- 2.25   0.001% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  24.70 +/- 1.02   0.000% *  0.0344% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  30.19 +/- 1.77   0.000% *  0.0966% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  18.55 +/- 2.89   0.007% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  19.92 +/- 0.93   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  23.13 +/- 1.29   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  22.35 +/- 2.34   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  17.09 +/- 1.57   0.004% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  22.74 +/- 0.70   0.001% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  28.58 +/- 1.50   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  31.34 +/- 1.25   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  26.28 +/- 1.29   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  28.76 +/- 1.04   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.01 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 = 0.911, support = 4.59, residual support = 176.4:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.79 +/- 0.47  46.212% * 89.0505% (1.00  10.0 10.00   4.62 171.88) =  90.235%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.72 +/- 0.34  53.420% *  8.3338% (0.09  10.0 10.00   4.27 218.18) =   9.762%  kept
        T QE    LYS+  38 - HG3   LYS+  99   8.62 +/- 1.74   0.154% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+ 102 - HG3   LYS+  99   9.43 +/- 1.07   0.045% *  0.6117% (0.69   1.0 10.00   0.02   1.48) =   0.001%
        T QE    LYS+  99 - HG3   LYS+  38   8.43 +/- 1.30   0.106% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  99   9.21 +/- 0.74   0.035% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  38  12.84 +/- 1.98   0.008% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG12  ILE   89  15.50 +/- 1.79   0.002% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG12  ILE   89  18.67 +/- 0.67   0.001% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  11.56 +/- 0.82   0.011% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG12  ILE   89  13.34 +/- 0.63   0.004% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG12  ILE   89  23.28 +/- 0.87   0.000% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  99  17.75 +/- 1.30   0.001% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  16.55 +/- 1.04   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  18.47 +/- 0.82   0.001% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1176 (4.38, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.81, residual support = 171.8:
    *   T HA    LYS+  99 - QD    LYS+  99   3.95 +/- 0.28  82.093% * 95.3973% (1.00 10.00   5.82 171.88) =  99.938%  kept
          HA    LEU   40 - QD    LYS+  99   5.30 +/- 0.64  16.971% *  0.2665% (0.25  1.00   0.22  13.40) =   0.058%
        T HA    LYS+  99 - QD    LYS+ 106  11.66 +/- 0.76   0.152% *  0.7681% (0.81 10.00   0.02   0.02) =   0.001%
        T HA    LEU  123 - QD    LYS+  99  12.47 +/- 1.85   0.120% *  0.8275% (0.87 10.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD    LYS+  99  10.37 +/- 1.12   0.324% *  0.0921% (0.97  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - QD    LYS+ 106  14.83 +/- 1.75   0.036% *  0.7266% (0.76 10.00   0.02   0.02) =   0.000%
        T HA    LEU  123 - QD    LYS+ 106  15.93 +/- 1.14   0.021% *  0.6663% (0.70 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+ 106  13.29 +/- 1.37   0.066% *  0.0642% (0.67  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - QD    LYS+  99  20.79 +/- 1.74   0.004% *  0.9024% (0.95 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD    LYS+ 106  13.09 +/- 0.98   0.082% *  0.0192% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    LYS+ 106  17.75 +/- 1.43   0.013% *  0.0741% (0.78  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+ 106  14.43 +/- 1.16   0.041% *  0.0192% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+  99  19.93 +/- 1.10   0.005% *  0.0797% (0.84  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  15.33 +/- 1.23   0.027% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+  99  17.18 +/- 1.16   0.013% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  17.52 +/- 0.74   0.012% *  0.0119% (0.12  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  19.17 +/- 2.05   0.008% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  20.32 +/- 1.07   0.005% *  0.0147% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  20.48 +/- 1.04   0.005% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  26.03 +/- 1.58   0.001% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.85, residual support = 171.9:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.41 +/- 0.16  99.472% * 97.4178% (1.00  10.0  1.00   5.85 171.88) =  99.999%  kept
        T HG2   LYS+ 111 - QD    LYS+ 106  10.33 +/- 2.53   0.107% *  0.7034% (0.72   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD    LYS+  99   9.29 +/- 1.34   0.054% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 106   8.21 +/- 1.14   0.090% *  0.0570% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 106   8.03 +/- 1.39   0.141% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  99   8.47 +/- 0.63   0.064% *  0.0217% (0.22   1.0  1.00   0.02  16.57) =   0.000%
          QB    ALA  124 - QD    LYS+  99  11.16 +/- 1.47   0.016% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 106  11.26 +/- 0.51   0.010% *  0.0352% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+ 106  13.05 +/- 0.63   0.004% *  0.0784% (0.81   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  99  20.55 +/- 2.39   0.000% *  0.8737% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  99  13.91 +/- 0.80   0.003% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 106  11.66 +/- 0.91   0.009% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  12.75 +/- 0.90   0.005% *  0.0444% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  13.78 +/- 1.07   0.004% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  11.55 +/- 1.08   0.010% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  15.87 +/- 1.66   0.002% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  15.50 +/- 1.33   0.002% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  15.46 +/- 0.88   0.002% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  17.29 +/- 0.76   0.001% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  19.03 +/- 1.38   0.000% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  15.66 +/- 1.01   0.002% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  18.18 +/- 0.42   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  21.06 +/- 0.74   0.000% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  18.51 +/- 0.54   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 171.9:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.31 +/- 0.14  99.705% * 94.6730% (1.00  10.0 10.00   5.27 171.88) =  99.999%  kept
        T HG3   LYS+  38 - QD    LYS+  99   8.92 +/- 1.03   0.046% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+ 106   9.54 +/- 1.38   0.038% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  99   7.26 +/- 0.68   0.126% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 106  10.91 +/- 2.05   0.021% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 106  12.92 +/- 0.65   0.004% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+ 106  10.86 +/- 1.40   0.013% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  99  10.87 +/- 1.12   0.015% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+ 106  10.12 +/- 1.41   0.023% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 106  15.36 +/- 0.84   0.001% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  99  18.77 +/- 1.05   0.000% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+  99  16.45 +/- 1.58   0.001% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+  99  18.73 +/- 0.65   0.000% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+ 106  18.99 +/- 1.49   0.000% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  14.28 +/- 0.84   0.002% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  99  15.85 +/- 1.35   0.001% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  16.19 +/- 1.55   0.001% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  99  20.97 +/- 1.87   0.000% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  18.69 +/- 1.11   0.000% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  19.29 +/- 1.23   0.000% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 171.9:
    * O T QE    LYS+  99 - QD    LYS+  99   2.09 +/- 0.03  99.576% * 96.3213% (1.00  10.0 10.00   4.00 171.88) =  99.999%  kept
        T QE    LYS+  38 - QD    LYS+  99   8.49 +/- 1.78   0.065% *  0.8638% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - QD    LYS+ 106   9.07 +/- 1.65   0.067% *  0.5327% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  99   8.68 +/- 1.38   0.033% *  0.6616% (0.69   1.0 10.00   0.02   1.48) =   0.000%
          HB2   PHE   97 - QD    LYS+ 106   5.99 +/- 0.50   0.219% *  0.0319% (0.33   1.0  1.00   0.02  10.43) =   0.000%
        T QE    LYS+  99 - QD    LYS+ 106  11.96 +/- 0.85   0.003% *  0.7755% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.93 +/- 0.55   0.036% *  0.0396% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 106  17.82 +/- 1.46   0.000% *  0.6955% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.27 +/- 1.55   0.001% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  16.90 +/- 0.74   0.000% *  0.0432% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (4.38, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.989, support = 5.22, residual support = 169.6:
    *   T HA    LYS+  99 - QE    LYS+  99   3.70 +/- 0.28  55.642% * 96.1206% (1.00 10.00   5.27 171.88) =  98.576%  kept
          HA    LEU   40 - QE    LYS+  99   4.11 +/- 0.50  35.882% *  2.1373% (0.25  1.00   1.78  13.40) =   1.413%  kept
        T HA    LYS+  99 - QE    LYS+ 102   8.74 +/- 0.63   0.370% *  0.6555% (0.68 10.00   0.02   1.48) =   0.004%
          HA    ASN   35 - QE    LYS+  38   5.82 +/- 1.00   6.313% *  0.0250% (0.26  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  99 - QE    LYS+  38   9.09 +/- 1.30   0.425% *  0.2593% (0.27 10.00   0.02   0.02) =   0.002%
          HA    ASN   35 - QE    LYS+  99   9.78 +/- 1.18   0.254% *  0.0928% (0.97  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  99  11.92 +/- 1.84   0.084% *  0.0834% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QE    LYS+ 102  12.05 +/- 1.85   0.091% *  0.0633% (0.66  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+  38   8.59 +/- 1.18   0.743% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+ 102  10.72 +/- 0.85   0.112% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  99  13.49 +/- 1.28   0.029% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  99  20.21 +/- 1.65   0.002% *  0.0909% (0.95  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  99  16.40 +/- 1.21   0.008% *  0.0240% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  99  20.05 +/- 1.07   0.002% *  0.0803% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+ 102  19.77 +/- 1.88   0.003% *  0.0569% (0.59  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  17.28 +/- 2.19   0.007% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  22.18 +/- 1.38   0.001% *  0.0548% (0.57  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  38  20.57 +/- 2.65   0.003% *  0.0225% (0.23  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  23.59 +/- 1.52   0.001% *  0.0620% (0.65  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  19.32 +/- 1.24   0.003% *  0.0148% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  16.50 +/- 2.02   0.011% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  21.77 +/- 1.52   0.002% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  17.55 +/- 2.88   0.008% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  21.69 +/- 1.01   0.002% *  0.0089% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  28.13 +/- 1.91   0.000% *  0.0245% (0.26  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  24.86 +/- 1.25   0.001% *  0.0101% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  28.86 +/- 1.67   0.000% *  0.0217% (0.23  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  25.65 +/- 2.07   0.001% *  0.0089% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  24.56 +/- 1.95   0.001% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  26.86 +/- 1.86   0.000% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.454, support = 4.09, residual support = 171.9:
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  89.029% * 59.3751% (0.41  10.0 10.00   4.00 171.88) =  92.760%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.39 +/- 0.67  10.768% * 38.3099% (1.00   1.0  1.00   5.31 171.88) =   7.239%  kept
        T QD    LYS+ 106 - QE    LYS+ 102   9.07 +/- 1.65   0.061% *  0.3697% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   8.68 +/- 1.38   0.030% *  0.4049% (0.28   1.0 10.00   0.02   1.48) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   8.49 +/- 1.78   0.047% *  0.1602% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 102   8.08 +/- 1.26   0.049% *  0.0985% (0.68   1.0  1.00   0.02   1.48) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.96 +/- 0.85   0.003% *  0.5420% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+  38  10.10 +/- 1.62   0.011% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  99  16.24 +/- 1.23   0.000% *  0.1416% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.70 +/- 1.04   0.001% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.82 +/- 1.46   0.000% *  0.1462% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  17.43 +/- 1.93   0.000% *  0.0753% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  18.82 +/- 1.30   0.000% *  0.0965% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  20.11 +/- 0.76   0.000% *  0.1104% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  16.96 +/- 1.40   0.000% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.19 +/- 1.01   0.000% *  0.0087% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  23.28 +/- 1.71   0.000% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  24.65 +/- 0.98   0.000% *  0.0298% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1190 (1.24, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.906, support = 4.58, residual support = 176.7:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.79 +/- 0.47  45.716% * 88.1476% (1.00  10.0 10.00   4.62 171.88) =  89.541%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.72 +/- 0.34  52.718% *  8.9252% (0.10  10.0 10.00   4.27 218.18) =  10.455%  kept
          QG2   THR   39 - QE    LYS+  99   5.79 +/- 0.75   0.976% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QE    LYS+  38   8.62 +/- 1.74   0.151% *  0.2378% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QE    LYS+  99   8.43 +/- 1.30   0.104% *  0.3308% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QE    LYS+ 102   9.43 +/- 1.07   0.045% *  0.6011% (0.68   1.0 10.00   0.02   1.48) =   0.001%
          HG    LEU   71 - QE    LYS+  99   9.30 +/- 1.05   0.038% *  0.0874% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  38   7.53 +/- 1.09   0.211% *  0.0154% (0.17   1.0  1.00   0.02  22.80) =   0.000%
        T HG3   LYS+  38 - QE    LYS+ 102  12.84 +/- 1.98   0.008% *  0.2256% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+ 102  15.50 +/- 1.79   0.002% *  0.2471% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  38  11.95 +/- 1.77   0.012% *  0.0236% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  99  14.17 +/- 1.30   0.003% *  0.0834% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+ 102  12.65 +/- 0.95   0.005% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  99  18.67 +/- 0.67   0.001% *  0.3624% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  99  17.67 +/- 1.19   0.001% *  0.0880% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 102  16.08 +/- 0.99   0.001% *  0.0596% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  17.20 +/- 1.88   0.001% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  16.00 +/- 1.46   0.002% *  0.0196% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  19.29 +/- 1.35   0.001% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  17.09 +/- 1.38   0.001% *  0.0225% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  20.40 +/- 1.29   0.000% *  0.0569% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  20.73 +/- 0.86   0.000% *  0.0600% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  23.28 +/- 0.87   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  18.08 +/- 1.35   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  21.17 +/- 1.63   0.000% *  0.0301% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  20.75 +/- 2.03   0.000% *  0.0205% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  22.63 +/- 1.26   0.000% *  0.0237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  24.37 +/- 1.26   0.000% *  0.0154% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  22.28 +/- 1.70   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  29.19 +/- 1.85   0.000% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1193 (3.01, 3.01, 42.52 ppm):
    3 diagonal assignments:
    *     QE    LYS+  99 - QE    LYS+  99  (1.00)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.24)  kept
 
    Peak 1194 (3.81, 3.81, 57.72 ppm):
    2 diagonal assignments:
    *     HA    GLU- 100 - HA    GLU- 100  (1.00)  kept
          HA    LYS+  38 - HA    LYS+  38  (0.01)  kept
 
    Peak 1195 (2.37, 3.81, 57.72 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HB2   GLU- 100 - HA    GLU- 100   2.96 +/- 0.10  96.799% * 99.1823% (1.00  10.0 10.00   4.26  75.70) =  99.998%  kept
        T HB2   GLU- 100 - HA    LYS+  38   5.80 +/- 0.96   2.983% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HA    GLU- 100  10.64 +/- 0.17   0.046% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    GLU- 100  10.73 +/- 0.89   0.052% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   9.31 +/- 0.47   0.107% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    GLU- 100  26.89 +/- 1.35   0.000% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  13.50 +/- 0.71   0.012% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU- 100  22.22 +/- 0.99   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  25.38 +/- 1.28   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  28.09 +/- 1.06   0.000% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  22.61 +/- 0.76   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  27.89 +/- 1.55   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1196 (2.04, 3.81, 57.72 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.49 +/- 0.23  94.272% * 99.2716% (1.00  10.0 10.00   4.26  75.70) =  99.996%  kept
        T HB3   GLU- 100 - HA    LYS+  38   4.69 +/- 0.99   5.686% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.004%
          HB2   GLN   30 - HA    GLU- 100  12.30 +/- 0.97   0.008% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 100  14.32 +/- 1.33   0.004% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  11.52 +/- 0.68   0.011% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  17.78 +/- 1.61   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 100  14.92 +/- 1.34   0.002% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  12.93 +/- 0.76   0.006% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  20.22 +/- 0.42   0.000% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  21.33 +/- 1.97   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  23.07 +/- 0.51   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  13.09 +/- 1.48   0.006% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  21.23 +/- 1.04   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  17.01 +/- 1.26   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  25.89 +/- 1.92   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  31.95 +/- 1.36   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  23.38 +/- 2.05   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  23.51 +/- 0.66   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  20.22 +/- 0.90   0.000% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  25.33 +/- 0.69   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  28.96 +/- 1.98   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  33.62 +/- 1.27   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1197 (2.23, 3.81, 57.72 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 75.7:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.96 +/- 0.32  71.758% * 99.4988% (1.00  10.0 10.00   4.72  75.70) =  99.976%  kept
        T HG2   GLU- 100 - HA    LYS+  38   3.95 +/- 1.26  28.169% *  0.0601% (0.06   1.0 10.00   0.02   0.02) =   0.024%
          HB2   MET   96 - HA    GLU- 100  12.10 +/- 0.41   0.017% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  12.14 +/- 1.19   0.017% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU- 100  15.01 +/- 0.36   0.005% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU- 100  16.20 +/- 1.20   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.44 +/- 1.25   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  12.32 +/- 1.21   0.014% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  14.77 +/- 0.64   0.005% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU- 100  24.87 +/- 0.89   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.70 +/- 0.99   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  14.89 +/- 0.56   0.005% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  18.17 +/- 0.85   0.001% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  27.88 +/- 0.57   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  17.27 +/- 1.29   0.003% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  25.59 +/- 0.62   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  20.18 +/- 0.39   0.001% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  30.30 +/- 0.58   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HA    GLU- 100 - HB2   GLU- 100   2.96 +/- 0.10  97.009% * 98.6741% (1.00  10.0 10.00   4.26  75.70) =  99.993%  kept
        T HA    LYS+  38 - HB2   GLU- 100   5.80 +/- 0.96   2.990% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.007%
        T HD2   PRO   58 - HB2   GLU- 100  28.65 +/- 1.28   0.000% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   GLU- 100  21.66 +/- 1.56   0.001% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  28.96 +/- 1.65   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (2.37, 2.37, 29.04 ppm):
    1 diagonal assignment:
    *     HB2   GLU- 100 - HB2   GLU- 100  (1.00)  kept
 
    Peak 1200 (2.04, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.7:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  99.999% * 99.3690% (1.00  10.0 10.00   2.00  75.70) = 100.000%  kept
          HB2   GLN   30 - HB2   GLU- 100  14.75 +/- 0.90   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  16.75 +/- 1.27   0.000% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  18.20 +/- 1.68   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  16.09 +/- 1.22   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  21.48 +/- 1.91   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  21.09 +/- 0.85   0.000% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  24.29 +/- 0.88   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  22.91 +/- 0.76   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  26.31 +/- 1.73   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  33.19 +/- 1.36   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1201 (2.23, 2.37, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HG2   GLU- 100 - HB2   GLU- 100   2.98 +/- 0.10  99.962% * 99.5837% (1.00  10.0 10.00   3.24  75.70) = 100.000%  kept
          HB2   MET   96 - HB2   GLU- 100  13.59 +/- 0.59   0.012% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLU- 100  15.11 +/- 0.78   0.006% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   GLU- 100  13.11 +/- 0.93   0.016% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU- 100  18.68 +/- 1.16   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   GLU- 100  19.86 +/- 1.05   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLU- 100  27.05 +/- 0.92   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  23.20 +/- 1.08   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  29.14 +/- 0.91   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.34 A, kept.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.49 +/- 0.23  94.311% * 99.5406% (1.00  10.0 10.00   4.26  75.70) =  99.987%  kept
        T HA    LYS+  38 - HB3   GLU- 100   4.69 +/- 0.99   5.688% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.013%
          HA    VAL   83 - HB3   GLU- 100  21.46 +/- 1.43   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  29.05 +/- 1.14   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  29.22 +/- 1.52   0.000% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (2.37, 2.04, 29.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.7:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  99.997% * 99.6840% (1.00  10.0 10.00   2.00  75.70) = 100.000%  kept
          HB3   PHE   97 - HB3   GLU- 100  11.78 +/- 0.38   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU- 100  11.71 +/- 1.15   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  23.93 +/- 0.98   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  26.32 +/- 1.29   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  28.17 +/- 1.32   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (2.04, 2.04, 29.04 ppm):
    1 diagonal assignment:
    *     HB3   GLU- 100 - HB3   GLU- 100  (1.00)  kept
 
    Peak 1205 (2.23, 2.04, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.42 +/- 0.13  99.990% * 99.0882% (1.00  10.0 10.00   3.24  75.70) = 100.000%  kept
        T HB    VAL   70 - HB3   GLU- 100  13.20 +/- 1.07   0.005% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU- 100  13.84 +/- 0.35   0.003% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLU- 100  15.98 +/- 0.57   0.001% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB3   GLU- 100  19.59 +/- 1.34   0.000% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  17.76 +/- 1.18   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  26.82 +/- 0.89   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  22.45 +/- 0.95   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  29.52 +/- 0.67   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.71, residual support = 75.6:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.96 +/- 0.32  71.817% * 99.5406% (1.00  10.0 10.00   4.72  75.70) =  99.913%  kept
        T HA    LYS+  38 - HG2   GLU- 100   3.95 +/- 1.26  28.182% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.087%
          HA    VAL   83 - HG2   GLU- 100  21.91 +/- 1.41   0.001% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  28.26 +/- 1.53   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  28.72 +/- 1.97   0.000% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1207 (2.37, 2.23, 38.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HB2   GLU- 100 - HG2   GLU- 100   2.98 +/- 0.10  99.931% * 99.6840% (1.00  10.0 10.00   3.24  75.70) = 100.000%  kept
          HB3   PHE   97 - HG2   GLU- 100  11.46 +/- 0.93   0.038% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLU- 100  11.84 +/- 1.16   0.030% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  25.79 +/- 1.48   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLU- 100  23.81 +/- 0.91   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  27.23 +/- 1.64   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1208 (2.04, 2.23, 38.95 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HB3   GLU- 100 - HG2   GLU- 100   2.42 +/- 0.13  99.989% * 98.4783% (1.00  10.0 10.00   3.24  75.70) = 100.000%  kept
        T QB    GLU-  15 - HG2   GLU- 100  14.39 +/- 1.83   0.003% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HG2   GLU- 100  16.86 +/- 1.80   0.001% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   GLU- 100  13.58 +/- 0.91   0.004% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   GLU- 100  15.40 +/- 1.36   0.002% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HG2   GLU- 100  21.38 +/- 1.45   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLU- 100  21.49 +/- 2.07   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  21.86 +/- 0.78   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  24.38 +/- 1.09   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  26.95 +/- 1.98   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  32.99 +/- 1.82   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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% * 99.9625% (1.00  10.0 10.00   2.00  15.44) = 100.000%  kept
          HA    LEU   63 - HA1   GLY  101  19.61 +/- 1.52   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.993% * 99.5312% (1.00  10.0 10.00   2.00  15.44) = 100.000%  kept
          HA    ALA   34 - HA2   GLY  101  10.50 +/- 1.99   0.005% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HA2   GLY  101  13.59 +/- 3.04   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  18.88 +/- 3.07   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  21.43 +/- 1.35   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  22.35 +/- 1.46   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  21.90 +/- 2.20   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  30.21 +/- 1.59   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 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 = 160.0:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.39 +/- 0.09  98.234% * 99.0531% (1.00  10.0 10.00   6.31 159.98) =  99.999%  kept
          HG12  ILE  103 - HA    LYS+ 102   4.79 +/- 0.35   1.697% *  0.0338% (0.34   1.0  1.00   0.02  22.37) =   0.001%
        T HB    VAL   41 - HA    LYS+ 102   8.70 +/- 1.26   0.064% *  0.4821% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 102  13.56 +/- 0.94   0.003% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  18.55 +/- 1.18   0.000% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  21.47 +/- 0.60   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  21.39 +/- 0.73   0.000% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  24.31 +/- 1.08   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  21.82 +/- 1.32   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  26.59 +/- 0.80   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1216 (1.45, 4.60, 54.68 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 160.0:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   3.22 +/- 0.46  99.782% * 99.3298% (1.00  10.0 10.00   5.75 159.98) = 100.000%  kept
          HG    LEU   40 - HA    LYS+ 102  10.06 +/- 0.97   0.168% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+ 102  15.19 +/- 1.17   0.013% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+ 102  16.96 +/- 2.04   0.007% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 102  17.22 +/- 1.95   0.007% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    LYS+ 102  19.83 +/- 1.18   0.003% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  17.15 +/- 0.87   0.007% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  20.57 +/- 1.49   0.002% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 102  20.48 +/- 0.54   0.002% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  20.48 +/- 1.36   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  19.43 +/- 0.87   0.003% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  20.07 +/- 1.90   0.003% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  22.13 +/- 1.40   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 0.996, support = 5.03, residual support = 159.0:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   2.96 +/- 0.72  76.208% * 94.7365% (1.00  10.0 10.00   5.05 159.98) =  99.387%  kept
          QB    LEU   98 - HA    LYS+ 102   3.99 +/- 0.38  21.446% *  2.0696% (0.34   1.0  1.00   1.28   1.85) =   0.611%  kept
        T HG3   LYS+ 106 - HA    LYS+ 102   9.49 +/- 0.54   0.106% *  0.8962% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LYS+ 102   6.38 +/- 0.93   2.200% *  0.0263% (0.28   1.0  1.00   0.02   1.85) =   0.001%
        T HG3   LYS+  33 - HA    LYS+ 102  16.17 +/- 1.31   0.005% *  0.8962% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 102  12.59 +/- 0.53   0.020% *  0.0929% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 102  16.08 +/- 1.55   0.006% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 102  24.62 +/- 1.06   0.000% *  0.9286% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 102  16.66 +/- 0.91   0.004% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  20.70 +/- 0.63   0.001% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  18.71 +/- 1.14   0.002% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 102  24.39 +/- 1.94   0.001% *  0.0575% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  25.95 +/- 0.82   0.000% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  21.22 +/- 0.99   0.001% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (1.68, 4.60, 54.68 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 160.0:
    *   T QD    LYS+ 102 - HA    LYS+ 102   2.96 +/- 0.75  98.991% * 98.2489% (1.00 10.00   5.05 159.98) = 100.000%  kept
          QD    LYS+  99 - HA    LYS+ 102   8.03 +/- 0.70   0.547% *  0.0219% (0.22  1.00   0.02   1.48) =   0.000%
          QD    LYS+  38 - HA    LYS+ 102  10.92 +/- 1.48   0.121% *  0.0787% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 102   9.43 +/- 1.07   0.311% *  0.0245% (0.25  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 102  23.23 +/- 1.97   0.001% *  0.6749% (0.69 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 102  15.24 +/- 1.17   0.012% *  0.0517% (0.53  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 102  23.23 +/- 0.54   0.001% *  0.5562% (0.57 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 102  16.24 +/- 1.75   0.009% *  0.0404% (0.41  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 102  18.04 +/- 1.33   0.004% *  0.0636% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 102  20.71 +/- 1.27   0.002% *  0.0907% (0.92  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 102  22.55 +/- 0.63   0.001% *  0.0929% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  22.15 +/- 1.09   0.001% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 160.0:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.09 +/- 0.35  99.754% * 98.4155% (1.00 10.00   5.05 159.98) =  99.998%  kept
        T QE    LYS+  99 - HA    LYS+ 102   9.09 +/- 0.68   0.205% *  0.6760% (0.69 10.00   0.02   1.48) =   0.001%
        T QE    LYS+  38 - HA    LYS+ 102  12.08 +/- 1.59   0.041% *  0.9085% (0.92 10.00   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 160.0:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.39 +/- 0.09  99.920% * 99.1785% (1.00  10.0 10.00   6.31 159.98) = 100.000%  kept
        T HA    LYS+ 102 - HB    VAL   41   8.70 +/- 1.26   0.066% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB    VAL   41  12.00 +/- 1.39   0.009% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    LYS+ 102  19.40 +/- 1.21   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    VAL   41  13.66 +/- 1.25   0.004% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  19.29 +/- 0.67   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  20.62 +/- 1.04   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  20.71 +/- 1.01   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  25.18 +/- 1.12   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  22.59 +/- 1.35   0.000% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  28.59 +/- 0.94   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  25.97 +/- 1.03   0.000% *  0.0288% (0.29   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 160.0:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.31 +/- 0.14  99.036% * 96.6607% (1.00  10.0 10.00   5.31 159.98) =  99.999%  kept
          HG    LEU   40 - HB    VAL   41   6.04 +/- 0.98   0.619% *  0.0348% (0.36   1.0  1.00   0.02  19.79) =   0.000%
        T HG2   LYS+ 102 - HB    VAL   41  10.54 +/- 1.74   0.024% *  0.4343% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB    VAL   41   7.11 +/- 1.04   0.232% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+ 102   9.19 +/- 1.39   0.043% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB    VAL   41  12.26 +/- 1.11   0.006% *  0.2983% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - QB    LYS+ 102  15.12 +/- 2.24   0.002% *  0.6640% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - QB    LYS+ 102  17.54 +/- 1.31   0.001% *  0.8385% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB    VAL   41  16.20 +/- 0.81   0.001% *  0.3767% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41  11.67 +/- 2.31   0.018% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB    VAL   41  12.02 +/- 1.35   0.006% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+ 102  14.93 +/- 1.25   0.002% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  15.44 +/- 2.13   0.002% *  0.0664% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  14.75 +/- 0.73   0.002% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  18.58 +/- 1.33   0.000% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  15.54 +/- 0.72   0.001% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  14.87 +/- 0.99   0.002% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  18.74 +/- 0.74   0.000% *  0.0509% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  17.82 +/- 0.85   0.001% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  18.61 +/- 1.59   0.000% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  18.99 +/- 1.92   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  20.09 +/- 1.12   0.000% *  0.0330% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  16.99 +/- 1.13   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  17.94 +/- 1.03   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  19.83 +/- 1.14   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  20.22 +/- 1.75   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.38, 1.81, 34.65 ppm):
    28 chemical-shift based assignments, quality = 0.949, support = 4.64, residual support = 151.8:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.40 +/- 0.18  63.313% * 81.1240% (1.00  10.0 10.00   4.75 159.98) =  93.951%  kept
        T QB    LEU   98 - HB    VAL   41   3.52 +/- 1.40  26.574% * 12.4339% (0.15   1.0 10.00   2.96  25.33) =   6.044%  kept
        T HB    VAL   42 - HB    VAL   41   5.99 +/- 0.27   0.288% *  0.3573% (0.44   1.0 10.00   0.02  23.26) =   0.002%
          HG    LEU   98 - HB    VAL   41   4.47 +/- 1.45   8.463% *  0.0101% (0.12   1.0  1.00   0.02  25.33) =   0.002%
          QB    LEU   98 - QB    LYS+ 102   4.92 +/- 0.31   0.996% *  0.0277% (0.34   1.0  1.00   0.02   1.85) =   0.001%
        T HG3   LYS+ 106 - QB    LYS+ 102   8.80 +/- 0.66   0.033% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB    VAL   41   9.37 +/- 1.40   0.053% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    LYS+ 102  12.04 +/- 0.95   0.005% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB    VAL   41   8.35 +/- 1.71   0.104% *  0.0364% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB    VAL   41  10.74 +/- 1.53   0.010% *  0.3645% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+ 102   7.12 +/- 0.79   0.145% *  0.0226% (0.28   1.0  1.00   0.02   1.85) =   0.000%
        T HG3   LYS+ 106 - HB    VAL   41  11.60 +/- 1.19   0.005% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 102  15.52 +/- 1.64   0.001% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB    VAL   41  18.55 +/- 1.12   0.000% *  0.3573% (0.44   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 102  15.77 +/- 1.48   0.001% *  0.0809% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 102  22.29 +/- 1.39   0.000% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    LYS+ 102  23.16 +/- 0.79   0.000% *  0.8041% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  14.16 +/- 0.63   0.002% *  0.0137% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  16.24 +/- 0.79   0.001% *  0.0304% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HB    VAL   41  24.78 +/- 1.19   0.000% *  0.3613% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  15.88 +/- 1.27   0.001% *  0.0161% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  18.06 +/- 2.41   0.001% *  0.0221% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  13.83 +/- 1.26   0.002% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.28 +/- 0.59   0.000% *  0.0334% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  17.54 +/- 0.94   0.000% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  22.32 +/- 1.45   0.000% *  0.0492% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  17.92 +/- 1.62   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  20.29 +/- 0.98   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.68, 1.81, 34.65 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 160.0:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.23 +/- 0.31  98.842% * 94.6216% (1.00  10.0 10.00   4.75 159.98) =  99.999%  kept
        T QD    LYS+  38 - QB    LYS+ 102   9.53 +/- 2.09   0.044% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QB    LYS+ 102   6.26 +/- 1.63   0.863% *  0.0211% (0.22   1.0  1.00   0.02   1.48) =   0.000%
        T QD    LYS+ 102 - HB    VAL   41  10.32 +/- 1.45   0.032% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB    VAL   41  10.38 +/- 0.79   0.013% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    VAL   41   8.45 +/- 1.57   0.098% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QB    LYS+ 102   8.76 +/- 0.88   0.038% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   8.83 +/- 1.04   0.050% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  13.03 +/- 1.11   0.004% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+ 102  20.87 +/- 0.66   0.000% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 102  20.80 +/- 1.97   0.000% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB    VAL   41  17.76 +/- 0.82   0.001% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HB    VAL   41  19.70 +/- 1.99   0.000% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HB    VAL   41  19.76 +/- 0.80   0.000% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QB    LYS+ 102  20.97 +/- 0.84   0.000% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  14.03 +/- 1.21   0.003% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  11.60 +/- 1.40   0.007% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  15.93 +/- 1.74   0.001% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  17.74 +/- 1.18   0.001% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  17.97 +/- 1.12   0.001% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB    VAL   41  23.50 +/- 2.08   0.000% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  15.56 +/- 1.32   0.001% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  20.68 +/- 1.12   0.000% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  19.90 +/- 0.83   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1225 (3.02, 1.81, 34.65 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 160.0:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.66 +/- 0.43  99.168% * 97.2926% (1.00 10.00   4.75 159.98) =  99.995%  kept
        T QE    LYS+  99 - QB    LYS+ 102   7.57 +/- 1.61   0.508% *  0.6683% (0.69 10.00   0.02   1.48) =   0.004%
        T QE    LYS+  38 - QB    LYS+ 102  10.64 +/- 2.11   0.066% *  0.8981% (0.92 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  99 - HB    VAL   41   8.14 +/- 0.71   0.183% *  0.3003% (0.31 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HB    VAL   41  10.42 +/- 1.12   0.051% *  0.4372% (0.45 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HB    VAL   41  11.36 +/- 0.75   0.024% *  0.4036% (0.41 10.00   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 = 160.0:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   3.22 +/- 0.46  99.996% * 99.7392% (1.00  10.0 10.00   5.75 159.98) = 100.000%  kept
          HA    CYS   21 - HG2   LYS+ 102  21.92 +/- 1.72   0.001% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  23.10 +/- 1.54   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  23.69 +/- 1.48   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  29.40 +/- 1.68   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  33.11 +/- 1.35   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 160.0:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.31 +/- 0.14  99.800% * 98.4503% (1.00  10.0 10.00   5.31 159.98) = 100.000%  kept
        T HB    VAL   41 - HG2   LYS+ 102  10.54 +/- 1.74   0.024% *  0.4792% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+ 102   7.50 +/- 0.79   0.173% *  0.0336% (0.34   1.0  1.00   0.02  22.37) =   0.000%
        T QB    LYS+  66 - HG2   LYS+ 102  19.57 +/- 1.71   0.000% *  0.6763% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+ 102  15.06 +/- 1.76   0.002% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  22.70 +/- 1.32   0.000% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  23.61 +/- 1.49   0.000% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  25.83 +/- 1.62   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  22.70 +/- 1.94   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  28.85 +/- 1.57   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.45, 1.45, 25.01 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 102 - HG2   LYS+ 102  (1.00)  kept
 
    Peak 1229 (1.38, 1.45, 25.01 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 160.0:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  99.923% * 96.7067% (1.00  10.0 10.00   4.42 159.98) = 100.000%  kept
          QB    LEU   98 - HG2   LYS+ 102   6.19 +/- 0.67   0.066% *  0.0330% (0.34   1.0  1.00   0.02   1.85) =   0.000%
        T HG3   LYS+ 106 - HG2   LYS+ 102  11.52 +/- 1.36   0.002% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 102   8.86 +/- 1.10   0.008% *  0.0269% (0.28   1.0  1.00   0.02   1.85) =   0.000%
        T HG3   LYS+  33 - HG2   LYS+ 102  17.05 +/- 2.23   0.000% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  14.37 +/- 1.27   0.000% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  18.22 +/- 1.97   0.000% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HG2   LYS+ 102  26.06 +/- 1.61   0.000% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  18.75 +/- 1.20   0.000% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  18.95 +/- 1.62   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  22.96 +/- 1.26   0.000% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  25.04 +/- 1.93   0.000% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  27.64 +/- 1.53   0.000% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  23.43 +/- 1.48   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1230 (1.68, 1.45, 25.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 160.0:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.21 +/- 0.08  99.823% * 98.2489% (1.00  10.0 10.00   4.42 159.98) = 100.000%  kept
          QD    LYS+  38 - HG2   LYS+ 102  10.19 +/- 2.63   0.043% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   LYS+ 102   7.89 +/- 1.75   0.122% *  0.0219% (0.22   1.0  1.00   0.02   1.48) =   0.000%
          QD    LYS+ 106 - HG2   LYS+ 102  11.27 +/- 1.54   0.010% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+ 102  24.99 +/- 2.45   0.000% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  16.32 +/- 1.79   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 102  24.44 +/- 1.26   0.000% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  18.39 +/- 2.20   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  21.45 +/- 1.95   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  20.50 +/- 1.55   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  24.79 +/- 1.34   0.000% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  24.49 +/- 1.58   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 160.0:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.18 +/- 0.27  99.385% * 98.4155% (1.00  10.0 10.00   4.42 159.98) =  99.995%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   9.19 +/- 1.81   0.435% *  0.6760% (0.69   1.0 10.00   0.02   1.48) =   0.003%
        T QE    LYS+  38 - HG2   LYS+ 102  11.36 +/- 2.68   0.180% *  0.9085% (0.92   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1232 (4.60, 1.38, 25.01 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 160.0:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   2.96 +/- 0.72  99.553% * 97.9004% (1.00  10.0 10.00   5.05 159.98) = 100.000%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   9.49 +/- 0.54   0.178% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  33  10.72 +/- 1.57   0.158% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  33  16.17 +/- 1.31   0.008% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  65  24.62 +/- 1.06   0.001% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  12.08 +/- 0.43   0.043% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  65  18.12 +/- 1.88   0.004% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  65  15.00 +/- 1.98   0.015% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  13.87 +/- 1.16   0.024% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  65  18.30 +/- 1.59   0.004% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 102  22.01 +/- 1.77   0.001% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  65  21.77 +/- 1.37   0.001% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  21.77 +/- 0.91   0.001% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  22.70 +/- 1.61   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  20.23 +/- 0.69   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  19.96 +/- 1.18   0.002% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  23.75 +/- 1.47   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  29.16 +/- 1.72   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  27.58 +/- 1.62   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  24.05 +/- 1.23   0.001% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  19.99 +/- 0.65   0.002% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  28.64 +/- 0.93   0.000% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  30.22 +/- 1.50   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  32.87 +/- 1.61   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.904, support = 5.19, residual support = 162.3:
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.40 +/- 0.18  46.450% * 54.4770% (1.00  10.0 10.00   4.75 159.98) =  52.490%  kept
      O   QB    LYS+  65 - HG3   LYS+  65   2.35 +/- 0.16  52.706% * 43.4551% (0.80  10.0  1.00   5.67 164.85) =  47.510%  kept
          QB    LYS+  66 - HG3   LYS+  65   6.34 +/- 0.55   0.170% *  0.0305% (0.56   1.0  1.00   0.02  26.12) =   0.000%
        T HB    VAL   41 - HG3   LYS+  33   9.37 +/- 1.40   0.028% *  0.1317% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 102  10.74 +/- 1.53   0.009% *  0.2652% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  65   8.04 +/- 2.05   0.104% *  0.0216% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+ 106   8.80 +/- 0.66   0.021% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 102   7.17 +/- 0.91   0.095% *  0.0186% (0.34   1.0  1.00   0.02  22.37) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   5.82 +/- 0.69   0.354% *  0.0034% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  33   8.53 +/- 2.08   0.045% *  0.0261% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 106  11.60 +/- 1.19   0.005% *  0.0483% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  33  15.52 +/- 1.64   0.001% *  0.2706% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  65  14.10 +/- 1.15   0.001% *  0.0428% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  65  18.55 +/- 1.12   0.000% *  0.2158% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  15.41 +/- 1.57   0.001% *  0.0526% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  65  22.29 +/- 1.39   0.000% *  0.4433% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  12.90 +/- 0.84   0.002% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  65  17.57 +/- 1.44   0.000% *  0.0409% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  13.56 +/- 1.47   0.002% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  14.47 +/- 1.33   0.001% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  15.66 +/- 1.23   0.001% *  0.0132% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  19.77 +/- 1.77   0.000% *  0.0374% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  14.82 +/- 1.72   0.001% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  18.85 +/- 1.24   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  16.24 +/- 0.90   0.001% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  18.62 +/- 1.22   0.000% *  0.0186% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  22.89 +/- 1.32   0.000% *  0.0534% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  23.32 +/- 1.64   0.000% *  0.0503% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  17.64 +/- 1.09   0.000% *  0.0097% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  21.65 +/- 1.23   0.000% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  26.11 +/- 1.69   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  20.85 +/- 1.43   0.000% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  16.33 +/- 0.93   0.000% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  26.23 +/- 0.76   0.000% *  0.0250% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  22.82 +/- 1.94   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  18.18 +/- 0.90   0.000% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  22.49 +/- 1.23   0.000% *  0.0048% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.55 +/- 1.56   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  26.16 +/- 2.28   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  30.65 +/- 1.15   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1234 (1.45, 1.38, 25.01 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 160.0:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  97.975% * 96.9231% (1.00  10.0 10.00   4.42 159.98) =  99.999%  kept
          QB    ALA   61 - HG3   LYS+  65   4.07 +/- 1.13   1.873% *  0.0415% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HG3   LYS+  65   6.12 +/- 1.09   0.115% *  0.0684% (0.71   1.0  1.00   0.02  26.12) =   0.000%
          HB3   LEU   67 - HG3   LYS+  65   8.81 +/- 0.83   0.009% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+ 106  11.52 +/- 1.36   0.002% *  0.1766% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  65   9.71 +/- 1.20   0.005% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  33   9.94 +/- 0.92   0.003% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  11.58 +/- 1.43   0.002% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  33  17.05 +/- 2.23   0.000% *  0.4815% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  12.22 +/- 1.38   0.001% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33  10.42 +/- 0.95   0.003% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  14.76 +/- 1.55   0.000% *  0.0773% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  14.67 +/- 2.03   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  12.49 +/- 1.68   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  11.23 +/- 0.74   0.002% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  11.99 +/- 1.44   0.001% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  15.57 +/- 1.07   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  17.33 +/- 1.54   0.000% *  0.0950% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  13.56 +/- 1.03   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  14.60 +/- 2.11   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  15.60 +/- 1.97   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  16.04 +/- 1.98   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  18.35 +/- 2.38   0.000% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  26.06 +/- 1.61   0.000% *  0.7888% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  18.69 +/- 2.43   0.000% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  12.11 +/- 0.87   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  15.78 +/- 1.94   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  11.72 +/- 0.66   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  14.84 +/- 0.96   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  14.95 +/- 2.78   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  15.21 +/- 2.31   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  21.02 +/- 1.71   0.000% *  0.0841% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  15.83 +/- 1.57   0.000% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  17.95 +/- 1.60   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  19.77 +/- 1.32   0.000% *  0.0418% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  17.38 +/- 1.81   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  22.25 +/- 1.95   0.000% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  13.70 +/- 1.07   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  18.36 +/- 0.93   0.000% *  0.0253% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  15.92 +/- 0.55   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  22.05 +/- 1.10   0.000% *  0.0510% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  20.96 +/- 1.14   0.000% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  21.83 +/- 1.89   0.000% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  21.98 +/- 2.21   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  22.68 +/- 1.72   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  18.75 +/- 1.45   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  23.72 +/- 2.05   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  25.93 +/- 1.50   0.000% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  22.77 +/- 1.47   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  19.77 +/- 1.64   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  24.03 +/- 1.17   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  27.33 +/- 1.83   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1235 (1.38, 1.38, 25.01 ppm):
    4 diagonal assignments:
    *     HG3   LYS+ 102 - HG3   LYS+ 102  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.80)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.47)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.17)  kept
 
    Peak 1236 (1.68, 1.38, 25.01 ppm):
    48 chemical-shift based assignments, quality = 0.791, support = 4.11, residual support = 160.4:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.49 +/- 0.09  28.192% * 63.6907% (1.00  10.0 10.00   4.00 159.98) =  64.729%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.47 +/- 0.10  29.147% * 29.3443% (0.46  10.0 10.00   4.28 164.85) =  30.833%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.33 +/- 0.17  42.541% *  2.8935% (0.05  10.0  1.00   4.63 135.84) =   4.438%  kept
        T QD    LYS+ 102 - HG3   LYS+ 106   9.95 +/- 1.05   0.009% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   8.36 +/- 1.76   0.048% *  0.0142% (0.22   1.0  1.00   0.02   1.48) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 102  10.86 +/- 2.55   0.013% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  33  11.08 +/- 0.95   0.004% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33  10.37 +/- 1.35   0.007% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 106  13.96 +/- 2.05   0.002% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  65  14.81 +/- 1.58   0.001% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  10.83 +/- 1.67   0.010% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  33  16.40 +/- 1.62   0.000% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106   9.36 +/- 0.94   0.013% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 102  18.46 +/- 1.96   0.000% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  14.65 +/- 1.82   0.001% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  15.22 +/- 1.36   0.001% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  33  19.36 +/- 1.60   0.000% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  65  22.32 +/- 1.28   0.000% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  65  24.19 +/- 1.07   0.000% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 102  24.65 +/- 2.51   0.000% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  16.30 +/- 1.86   0.001% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  65  17.16 +/- 1.57   0.000% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  16.37 +/- 1.77   0.000% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 102  24.65 +/- 1.18   0.000% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  11.02 +/- 0.43   0.004% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  14.24 +/- 0.89   0.001% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  13.66 +/- 1.41   0.001% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  19.67 +/- 0.92   0.000% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  14.09 +/- 1.38   0.001% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  15.72 +/- 0.88   0.000% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  17.99 +/- 1.78   0.000% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  21.57 +/- 1.96   0.000% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  20.19 +/- 1.32   0.000% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  20.10 +/- 1.46   0.000% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  21.98 +/- 1.76   0.000% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  17.78 +/- 1.38   0.000% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  17.33 +/- 1.13   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  16.69 +/- 1.22   0.000% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  24.52 +/- 1.54   0.000% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  19.38 +/- 1.00   0.000% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  31.69 +/- 1.48   0.000% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  24.14 +/- 1.61   0.000% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  23.93 +/- 1.36   0.000% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  19.65 +/- 1.48   0.000% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  25.69 +/- 2.63   0.000% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  23.11 +/- 1.67   0.000% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  26.51 +/- 0.79   0.000% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  26.83 +/- 0.96   0.000% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1237 (3.02, 1.38, 25.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 160.0:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.24 +/- 0.23  99.897% * 94.7812% (1.00  10.0 10.00   4.00 159.98) =  99.999%  kept
        T QE    LYS+  99 - HG3   LYS+ 102   9.65 +/- 1.81   0.034% *  0.6511% (0.69   1.0 10.00   0.02   1.48) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 102  12.00 +/- 2.72   0.013% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  33  10.51 +/- 1.28   0.014% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+ 106   9.53 +/- 1.32   0.029% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  33  12.36 +/- 1.47   0.005% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+ 106  11.68 +/- 0.85   0.006% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  65  16.32 +/- 1.47   0.001% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  33  16.65 +/- 1.57   0.001% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  65  22.87 +/- 2.76   0.000% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  65  24.24 +/- 1.28   0.000% *  0.7713% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 106  18.57 +/- 1.27   0.000% *  0.1594% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (4.60, 1.68, 29.29 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 160.0:
    *   T HA    LYS+ 102 - QD    LYS+ 102   2.96 +/- 0.75  94.930% * 99.0980% (1.00 10.00   5.05 159.98) =  99.999%  kept
          HA1   GLY  109 - HD2   LYS+ 111   6.40 +/- 1.23   5.017% *  0.0126% (0.13  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 102 - HD2   LYS+ 111  23.23 +/- 1.97   0.001% *  0.2591% (0.26 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - QD    LYS+  65  23.23 +/- 0.54   0.001% *  0.2505% (0.25 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+  65  17.14 +/- 1.61   0.006% *  0.0209% (0.21  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+ 102  20.25 +/- 1.36   0.002% *  0.0828% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  20.13 +/- 1.40   0.002% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  14.34 +/- 1.67   0.021% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   LYS+ 111  16.07 +/- 1.16   0.008% *  0.0116% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  19.86 +/- 2.25   0.003% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+  65  17.35 +/- 1.36   0.004% *  0.0112% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+  65  20.33 +/- 1.52   0.002% *  0.0162% (0.16  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  21.79 +/- 1.14   0.001% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  20.70 +/- 1.05   0.001% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  26.24 +/- 1.78   0.000% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  29.50 +/- 1.34   0.000% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  27.84 +/- 1.04   0.000% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  25.57 +/- 1.01   0.000% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 0.813, support = 4.85, residual support = 161.2:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.23 +/- 0.31  42.600% * 77.3438% (1.00  10.0 10.00   4.75 159.98) =  75.105%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.09 +/- 0.12  56.993% * 19.1619% (0.25  10.0 10.00   5.15 164.85) =  24.894%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.57 +/- 0.96   0.150% *  0.0264% (0.34   1.0  1.00   0.02  22.37) =   0.000%
        T HG2   PRO   93 - HD2   LYS+ 111   8.59 +/- 1.19   0.019% *  0.1867% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  10.32 +/- 1.45   0.008% *  0.3765% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.20 +/- 0.56   0.130% *  0.0134% (0.17   1.0  1.00   0.02  26.12) =   0.000%
          HB3   GLN   17 - QD    LYS+  65   7.30 +/- 1.91   0.090% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  12.50 +/- 1.50   0.002% *  0.0302% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.53 +/- 1.25   0.001% *  0.0746% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  21.08 +/- 0.90   0.000% *  0.7581% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  20.91 +/- 1.36   0.000% *  0.7140% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  16.93 +/- 0.96   0.000% *  0.1805% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.21 +/- 1.10   0.000% *  0.1982% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  17.76 +/- 0.82   0.000% *  0.0952% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  10.71 +/- 1.55   0.005% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.69 +/- 0.92   0.001% *  0.0189% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  20.80 +/- 1.97   0.000% *  0.2022% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.97 +/- 0.84   0.000% *  0.1955% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  18.26 +/- 1.34   0.000% *  0.0531% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  20.86 +/- 1.45   0.000% *  0.1193% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  17.07 +/- 1.15   0.000% *  0.0312% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.50 +/- 2.08   0.000% *  0.0984% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.55 +/- 1.38   0.000% *  0.0139% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  24.11 +/- 1.11   0.000% *  0.0376% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  19.35 +/- 1.90   0.000% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  24.26 +/- 2.13   0.000% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  20.70 +/- 0.91   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  19.70 +/- 1.34   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  25.49 +/- 1.33   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  27.17 +/- 0.90   0.000% *  0.0098% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 160.0:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.21 +/- 0.08  92.475% * 98.4875% (1.00  10.0 10.00   4.42 159.98) =  99.999%  kept
          QB    ALA   61 - QD    LYS+  65   4.41 +/- 0.68   2.941% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 111   6.03 +/- 1.27   3.942% *  0.0079% (0.08   1.0  1.00   0.02   9.12) =   0.000%
          QG    LYS+  66 - QD    LYS+  65   5.63 +/- 0.86   0.453% *  0.0216% (0.22   1.0  1.00   0.02  26.12) =   0.000%
          HB3   LEU  115 - HD2   LYS+ 111   8.34 +/- 1.03   0.046% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   8.80 +/- 1.18   0.050% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+ 102  11.19 +/- 1.16   0.006% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  65   9.44 +/- 1.20   0.024% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   8.76 +/- 1.30   0.035% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+ 102  16.11 +/- 1.29   0.001% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  11.89 +/- 1.48   0.006% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  14.36 +/- 1.23   0.002% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  17.16 +/- 2.00   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  14.20 +/- 1.54   0.002% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  11.62 +/- 0.81   0.005% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  17.46 +/- 1.92   0.000% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  15.03 +/- 0.75   0.001% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  12.62 +/- 1.12   0.003% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  19.36 +/- 1.40   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  16.30 +/- 1.17   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  24.99 +/- 2.45   0.000% *  0.2575% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  20.10 +/- 1.73   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  24.44 +/- 1.26   0.000% *  0.2489% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  13.94 +/- 1.55   0.002% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  17.59 +/- 1.37   0.000% *  0.0223% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  15.89 +/- 0.82   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  15.06 +/- 1.76   0.001% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  20.19 +/- 0.71   0.000% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  18.74 +/- 1.18   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  20.51 +/- 1.73   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  20.39 +/- 1.88   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  21.42 +/- 1.60   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  21.78 +/- 2.62   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  22.23 +/- 1.87   0.000% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  21.89 +/- 1.94   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  23.45 +/- 1.45   0.000% *  0.0252% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  20.72 +/- 1.66   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  24.41 +/- 1.60   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  26.98 +/- 1.44   0.000% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1241 (1.38, 1.68, 29.29 ppm):
    42 chemical-shift based assignments, quality = 0.846, support = 4.06, residual support = 161.0:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.49 +/- 0.09  48.709% * 76.0877% (1.00  10.0 10.00   4.00 159.98) =  79.519%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.47 +/- 0.10  50.637% * 18.8507% (0.25  10.0 10.00   4.28 164.85) =  20.480%  kept
        T HG3   LYS+ 106 - QD    LYS+ 102   9.95 +/- 1.05   0.016% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+ 102   6.09 +/- 0.70   0.315% *  0.0260% (0.34   1.0  1.00   0.02   1.85) =   0.000%
          HB2   LYS+ 112 - HD2   LYS+ 111   6.48 +/- 0.93   0.220% *  0.0197% (0.26   1.0  1.00   0.02  28.03) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   8.39 +/- 1.25   0.060% *  0.0212% (0.28   1.0  1.00   0.02   1.85) =   0.000%
        T HB3   PRO   93 - HD2   LYS+ 111  10.60 +/- 1.17   0.013% *  0.0818% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD2   LYS+ 111  13.96 +/- 2.05   0.004% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+ 102  16.40 +/- 1.62   0.001% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD    LYS+ 102  16.93 +/- 1.63   0.001% *  0.7592% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+ 102  13.73 +/- 0.82   0.002% *  0.0746% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  12.76 +/- 0.60   0.003% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+  65  19.36 +/- 1.60   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+ 102  24.19 +/- 1.07   0.000% *  0.7458% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  65  19.67 +/- 0.92   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  13.95 +/- 2.11   0.003% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  14.44 +/- 1.23   0.002% *  0.0192% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  16.44 +/- 1.54   0.001% *  0.0286% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD2   LYS+ 111  22.32 +/- 1.28   0.000% *  0.1950% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.53 +/- 1.70   0.005% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HD2   LYS+ 111  22.98 +/- 1.16   0.000% *  0.1985% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  24.65 +/- 2.51   0.000% *  0.1989% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  24.65 +/- 1.18   0.000% *  0.1923% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65  13.15 +/- 1.82   0.004% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  17.75 +/- 1.44   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.29 +/- 0.85   0.001% *  0.0079% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  17.59 +/- 1.42   0.000% *  0.0151% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.47 +/- 1.20   0.000% *  0.0313% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  16.63 +/- 1.24   0.001% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  24.59 +/- 1.27   0.000% *  0.0754% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  23.50 +/- 1.81   0.000% *  0.0461% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  20.79 +/- 1.54   0.000% *  0.0195% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  17.41 +/- 0.47   0.000% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  31.69 +/- 1.48   0.000% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  19.17 +/- 0.98   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  19.39 +/- 1.49   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.61 +/- 0.93   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  21.46 +/- 1.13   0.000% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.37 +/- 1.78   0.000% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.34 +/- 1.10   0.000% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  22.69 +/- 0.91   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  31.95 +/- 1.23   0.000% *  0.0121% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1242 (1.68, 1.68, 29.29 ppm):
    3 diagonal assignments:
    *     QD    LYS+ 102 - QD    LYS+ 102  (1.00)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.14)  kept
 
    Peak 1243 (3.02, 1.68, 29.29 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 160.0:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.11 +/- 0.02  99.968% * 97.1326% (1.00  10.0 10.00   4.00 159.98) = 100.000%  kept
        T QE    LYS+  99 - QD    LYS+ 102   9.40 +/- 1.49   0.022% *  0.6672% (0.69   1.0 10.00   0.02   1.48) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 102  11.35 +/- 2.21   0.009% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - QD    LYS+  65  15.42 +/- 1.19   0.001% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  21.50 +/- 2.29   0.000% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+  65  21.11 +/- 2.09   0.000% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  21.83 +/- 1.81   0.000% *  0.1744% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  22.73 +/- 0.92   0.000% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  29.94 +/- 2.05   0.000% *  0.2344% (0.24   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 160.0:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.09 +/- 0.35  99.736% * 98.6090% (1.00 10.00   5.05 159.98) =  99.998%  kept
        T HA    LYS+ 102 - QE    LYS+  99   9.09 +/- 0.68   0.205% *  0.6725% (0.68 10.00   0.02   1.48) =   0.001%
        T HA    LYS+ 102 - QE    LYS+  38  12.08 +/- 1.59   0.041% *  0.2257% (0.23 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  99  17.37 +/- 0.76   0.004% *  0.0562% (0.57  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+ 102  20.12 +/- 1.28   0.002% *  0.0824% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+ 102  19.61 +/- 1.60   0.002% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  18.89 +/- 0.68   0.002% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  18.05 +/- 0.76   0.003% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  21.01 +/- 0.90   0.001% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  21.64 +/- 0.98   0.001% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  25.83 +/- 1.85   0.000% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  24.49 +/- 1.42   0.000% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  29.06 +/- 1.52   0.000% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  28.09 +/- 1.28   0.000% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  21.10 +/- 0.97   0.001% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  28.28 +/- 1.20   0.000% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  30.73 +/- 1.42   0.000% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  33.81 +/- 1.51   0.000% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 160.0:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.66 +/- 0.43  97.408% * 97.3354% (1.00 10.00   4.75 159.98) =  99.995%  kept
        T QB    LYS+ 102 - QE    LYS+  99   7.57 +/- 1.61   0.499% *  0.6638% (0.68 10.00   0.02   1.48) =   0.003%
        T HB    VAL   41 - QE    LYS+  99   8.14 +/- 0.71   0.180% *  0.3231% (0.33 10.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QE    LYS+ 102   6.21 +/- 0.81   1.465% *  0.0332% (0.34  1.00   0.02  22.37) =   0.001%
        T HB    VAL   41 - QE    LYS+ 102  10.42 +/- 1.12   0.049% *  0.4738% (0.49 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QE    LYS+  38  10.64 +/- 2.11   0.065% *  0.2228% (0.23 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  99   8.43 +/- 0.86   0.164% *  0.0641% (0.66  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+  38  11.36 +/- 0.75   0.023% *  0.1085% (0.11 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  99  11.02 +/- 1.38   0.033% *  0.0456% (0.47  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  99   9.77 +/- 0.53   0.060% *  0.0226% (0.23  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  99  13.98 +/- 1.16   0.007% *  0.0651% (0.67  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+ 102  14.72 +/- 0.89   0.005% *  0.0939% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  38  12.28 +/- 1.37   0.016% *  0.0215% (0.22  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  18.37 +/- 1.69   0.002% *  0.0669% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  16.59 +/- 1.27   0.003% *  0.0323% (0.33  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  14.15 +/- 1.68   0.008% *  0.0102% (0.11  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  20.48 +/- 1.56   0.001% *  0.0899% (0.92  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  21.13 +/- 1.13   0.001% *  0.0954% (0.98  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  19.91 +/- 1.27   0.001% *  0.0613% (0.63  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  14.64 +/- 1.18   0.006% *  0.0076% (0.08  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  18.12 +/- 2.01   0.001% *  0.0153% (0.16  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  20.13 +/- 2.03   0.001% *  0.0218% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  24.20 +/- 1.15   0.000% *  0.0474% (0.49  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  20.91 +/- 1.73   0.001% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  20.65 +/- 2.20   0.001% *  0.0108% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  25.03 +/- 1.37   0.000% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  27.20 +/- 1.41   0.000% *  0.0206% (0.21  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  24.82 +/- 1.37   0.000% *  0.0102% (0.11  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  23.02 +/- 2.60   0.000% *  0.0034% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  31.92 +/- 1.37   0.000% *  0.0034% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.991, support = 4.37, residual support = 157.2:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.18 +/- 0.27  69.866% * 93.6012% (1.00  10.0 10.00   4.42 159.98) =  98.120%  kept
          HG    LEU   40 - QE    LYS+  99   4.07 +/- 0.96  28.475% *  4.3905% (0.55   1.0  1.00   1.72  13.40) =   1.876%  kept
        T HG2   LYS+ 102 - QE    LYS+  99   9.19 +/- 1.81   0.329% *  0.6383% (0.68   1.0 10.00   0.02   1.48) =   0.003%
        T HG2   LYS+ 102 - QE    LYS+  38  11.36 +/- 2.68   0.129% *  0.2143% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  99   8.64 +/- 2.30   0.551% *  0.0438% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  99   8.90 +/- 2.10   0.373% *  0.0438% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+ 102  11.47 +/- 1.04   0.036% *  0.0750% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  99  12.41 +/- 1.21   0.023% *  0.0626% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  99  12.17 +/- 1.69   0.025% *  0.0554% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  38  11.08 +/- 1.42   0.074% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  12.19 +/- 1.30   0.028% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+ 102  16.07 +/- 1.05   0.005% *  0.0917% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+ 102  17.34 +/- 2.10   0.004% *  0.0643% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  99  14.95 +/- 1.07   0.007% *  0.0336% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  17.68 +/- 2.09   0.003% *  0.0643% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  38  16.00 +/- 2.62   0.013% *  0.0147% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  14.38 +/- 1.89   0.011% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  16.01 +/- 2.34   0.011% *  0.0147% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  99  17.21 +/- 1.47   0.003% *  0.0511% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+ 102  19.45 +/- 1.63   0.001% *  0.0812% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  16.27 +/- 1.46   0.005% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  15.86 +/- 1.05   0.005% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+ 102  19.81 +/- 1.85   0.001% *  0.0750% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  18.35 +/- 1.41   0.002% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+ 102  20.10 +/- 0.84   0.001% *  0.0492% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  20.12 +/- 1.78   0.001% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  18.02 +/- 1.15   0.002% *  0.0197% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  17.95 +/- 1.53   0.002% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  19.25 +/- 1.90   0.002% *  0.0186% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  20.46 +/- 1.70   0.001% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  21.15 +/- 1.75   0.001% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  20.65 +/- 0.60   0.001% *  0.0218% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  17.21 +/- 1.71   0.003% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  20.63 +/- 1.63   0.001% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  19.74 +/- 1.73   0.002% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  25.54 +/- 1.77   0.000% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  23.31 +/- 0.89   0.000% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  24.28 +/- 1.48   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  26.55 +/- 1.78   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 160.0:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.24 +/- 0.23  99.059% * 93.0940% (1.00  10.0 10.00   4.00 159.98) =  99.999%  kept
        T HG3   LYS+ 106 - QE    LYS+ 102   9.53 +/- 1.32   0.028% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  99   9.65 +/- 1.81   0.034% *  0.6349% (0.68   1.0 10.00   0.02   1.48) =   0.000%
          QB    LEU   98 - QE    LYS+ 102   6.09 +/- 0.51   0.355% *  0.0318% (0.34   1.0  1.00   0.02   1.85) =   0.000%
          HB    VAL   42 - QE    LYS+  99   8.16 +/- 0.89   0.075% *  0.0622% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 102   8.27 +/- 1.23   0.148% *  0.0259% (0.28   1.0  1.00   0.02   1.85) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  99  11.68 +/- 0.85   0.006% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  99   6.77 +/- 0.32   0.167% *  0.0217% (0.23   1.0  1.00   0.02  16.57) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  38  10.51 +/- 1.28   0.014% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  99  12.36 +/- 1.47   0.005% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  38  12.00 +/- 2.72   0.012% *  0.2131% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  99   8.47 +/- 0.65   0.048% *  0.0177% (0.19   1.0  1.00   0.02  16.57) =   0.000%
        T HG3   LYS+  33 - QE    LYS+ 102  16.65 +/- 1.57   0.001% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  99  16.32 +/- 1.47   0.001% *  0.6223% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+ 102  13.80 +/- 0.67   0.002% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  99  13.62 +/- 1.14   0.003% *  0.0633% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  10.80 +/- 1.49   0.015% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  10.52 +/- 1.03   0.012% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+ 102  16.80 +/- 1.34   0.001% *  0.0929% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  38  18.57 +/- 1.27   0.000% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+ 102  24.24 +/- 1.28   0.000% *  0.9125% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  14.06 +/- 1.31   0.002% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  16.84 +/- 2.14   0.001% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  15.93 +/- 1.46   0.001% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  16.51 +/- 2.95   0.002% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  38  22.87 +/- 2.76   0.000% *  0.2089% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  13.31 +/- 1.16   0.003% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  17.20 +/- 1.06   0.001% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  18.82 +/- 1.23   0.000% *  0.0261% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  18.26 +/- 0.44   0.000% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  17.78 +/- 1.60   0.001% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  20.08 +/- 1.38   0.000% *  0.0383% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  22.26 +/- 1.17   0.000% *  0.0629% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  24.28 +/- 1.54   0.000% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  23.77 +/- 1.72   0.000% *  0.0565% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  17.81 +/- 1.06   0.001% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  17.48 +/- 2.11   0.001% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  21.25 +/- 0.95   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  21.49 +/- 0.67   0.000% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  21.98 +/- 1.18   0.000% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  25.95 +/- 1.42   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  30.83 +/- 1.73   0.000% *  0.0211% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.784, support = 3.96, residual support = 169.5:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.11 +/- 0.02  32.154% * 72.2175% (1.00  10.0 10.00   4.00 159.98) =  73.995%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.11 +/- 0.03  32.818% * 13.2369% (0.18  10.0  1.00   3.74 218.18) =  13.843%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  34.804% * 10.9650% (0.15  10.0 10.00   4.00 171.88) =  12.161%  kept
          QD    LYS+  38 - QE    LYS+  99   6.91 +/- 1.42   0.146% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   9.07 +/- 1.65   0.024% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  99   9.40 +/- 1.49   0.007% *  0.4925% (0.68   1.0 10.00   0.02   1.48) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   8.68 +/- 1.38   0.011% *  0.1608% (0.22   1.0 10.00   0.02   1.48) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   8.49 +/- 1.78   0.023% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  38  11.35 +/- 2.21   0.003% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QE    LYS+ 102  11.05 +/- 2.02   0.003% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.96 +/- 0.85   0.001% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99  10.77 +/- 1.52   0.003% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  99  15.42 +/- 1.19   0.000% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  13.12 +/- 1.72   0.001% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+ 102  21.50 +/- 2.29   0.000% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  14.86 +/- 1.72   0.000% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  21.83 +/- 1.81   0.000% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.70 +/- 1.04   0.000% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 102  22.73 +/- 0.92   0.000% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  17.63 +/- 1.56   0.000% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.82 +/- 1.46   0.000% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  16.96 +/- 1.40   0.000% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  21.11 +/- 2.09   0.000% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  19.84 +/- 1.78   0.000% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  21.59 +/- 1.44   0.000% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  20.66 +/- 1.23   0.000% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  21.07 +/- 1.43   0.000% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  20.05 +/- 0.90   0.000% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  21.60 +/- 1.05   0.000% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.19 +/- 1.01   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  19.70 +/- 1.90   0.000% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  22.00 +/- 2.32   0.000% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  29.94 +/- 2.05   0.000% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  22.57 +/- 0.96   0.000% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  27.90 +/- 1.42   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  28.26 +/- 1.13   0.000% *  0.0094% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.631, support = 5.81, residual support = 138.3:
    * O T HB    ILE  103 - HA    ILE  103   2.93 +/- 0.06  18.547% * 82.5223% (1.00  10.0 10.00   5.66 138.30) =  53.953%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.27 +/- 0.22  79.987% * 16.3310% (0.20  10.0 10.00   5.98 138.30) =  46.046%  kept
          QB    LYS+ 106 - HA    ILE  103   6.22 +/- 0.35   0.215% *  0.0661% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    ILE  103   6.91 +/- 0.35   0.109% *  0.0818% (0.99   1.0  1.00   0.02   2.57) =   0.000%
          HB3   LYS+  38 - HA    THR   39   4.74 +/- 0.27   1.087% *  0.0068% (0.08   1.0  1.00   0.02  22.80) =   0.000%
          QB    LYS+  33 - HA    THR   39   8.32 +/- 0.50   0.038% *  0.0258% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE  103 - HA    THR   39  15.15 +/- 0.48   0.001% *  0.2726% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    THR   39  11.91 +/- 1.17   0.006% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE  103  15.06 +/- 0.56   0.001% *  0.0781% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE  103  17.50 +/- 2.18   0.001% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  13.60 +/- 0.63   0.002% *  0.0206% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  14.64 +/- 0.73   0.001% *  0.0270% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  19.22 +/- 0.98   0.000% *  0.0740% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  15.78 +/- 0.50   0.001% *  0.0218% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE  103  20.18 +/- 0.84   0.000% *  0.0689% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  18.26 +/- 1.19   0.000% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  13.53 +/- 0.54   0.002% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  19.06 +/- 1.06   0.000% *  0.0310% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  26.10 +/- 1.12   0.000% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  22.76 +/- 0.79   0.000% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  20.07 +/- 2.14   0.000% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  25.16 +/- 0.53   0.000% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  27.83 +/- 0.71   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  24.59 +/- 1.11   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  30.11 +/- 1.68   0.000% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  29.88 +/- 0.83   0.000% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (0.98, 4.28, 62.30 ppm):
    16 chemical-shift based assignments, quality = 0.934, support = 5.33, residual support = 138.3:
    * O T QG2   ILE  103 - HA    ILE  103   2.76 +/- 0.12  74.417% * 68.5552% (1.00  10.0 10.00   5.39 138.30) =  88.018%  kept
        T QD1   ILE  103 - HA    ILE  103   3.45 +/- 0.37  22.592% * 30.7355% (0.45   1.0 10.00   4.91 138.30) =  11.980%  kept
          QD2   LEU   40 - HA    ILE  103   5.64 +/- 0.51   1.207% *  0.0662% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    THR   39   5.70 +/- 0.34   0.995% *  0.0219% (0.32   1.0  1.00   0.02  23.71) =   0.000%
          QD2   LEU   71 - HA    THR   39   6.68 +/- 1.12   0.656% *  0.0128% (0.19   1.0  1.00   0.02   0.22) =   0.000%
          QD1   LEU   67 - HA    ILE  103  11.16 +/- 2.23   0.033% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  13.03 +/- 0.34   0.007% *  0.2265% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   9.60 +/- 1.29   0.061% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.85 +/- 0.73   0.008% *  0.1015% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.50 +/- 1.06   0.010% *  0.0388% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  13.54 +/- 1.46   0.006% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  15.14 +/- 0.90   0.003% *  0.0282% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  19.03 +/- 0.74   0.001% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  15.46 +/- 1.97   0.003% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  19.61 +/- 0.87   0.001% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  18.56 +/- 0.48   0.001% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (0.96, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.606, support = 5.13, residual support = 138.3:
    *   T QD1   ILE  103 - HA    ILE  103   3.45 +/- 0.37  22.592% * 78.2519% (0.92   1.0 10.00   4.91 138.30) =  52.916%  kept
      O T QG2   ILE  103 - HA    ILE  103   2.76 +/- 0.12  74.420% * 21.1374% (0.25  10.0 10.00   5.39 138.30) =  47.083%  kept
          QD2   LEU   40 - HA    ILE  103   5.64 +/- 0.51   1.207% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    THR   39   6.68 +/- 1.12   0.656% *  0.0234% (0.28   1.0  1.00   0.02   0.22) =   0.000%
          QD2   LEU   40 - HA    THR   39   5.70 +/- 0.34   0.995% *  0.0043% (0.05   1.0  1.00   0.02  23.71) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.85 +/- 0.73   0.008% *  0.2585% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.50 +/- 1.06   0.010% *  0.0708% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  13.54 +/- 1.46   0.006% *  0.0846% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  11.16 +/- 2.23   0.033% *  0.0148% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  13.03 +/- 0.34   0.007% *  0.0698% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   9.60 +/- 1.29   0.061% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  15.46 +/- 1.97   0.003% *  0.0279% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  19.03 +/- 0.74   0.001% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  19.61 +/- 0.87   0.001% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1254 (4.28, 1.86, 38.31 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 138.3:
    * O T HA    ILE  103 - HB    ILE  103   2.93 +/- 0.06  99.961% * 98.6567% (1.00  10.0 10.00   5.66 138.30) = 100.000%  kept
        T HA    THR   39 - HB    ILE  103  15.15 +/- 0.48   0.005% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    ILE  103  12.89 +/- 0.61   0.015% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    ILE  103  16.16 +/- 1.34   0.004% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB    ILE  103  13.61 +/- 1.41   0.012% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    ILE  103  20.19 +/- 1.03   0.001% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    ILE  103  23.99 +/- 1.02   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  21.51 +/- 0.76   0.001% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  26.61 +/- 0.68   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  32.86 +/- 2.56   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  25.86 +/- 1.29   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  30.68 +/- 2.36   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.848, support = 4.94, residual support = 138.3:
    * O T QG2   ILE  103 - HB    ILE  103   2.13 +/- 0.01  54.117% * 68.8462% (1.00  10.0 10.00   5.02 138.30) =  72.468%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.21 +/- 0.26  45.860% * 30.8659% (0.45  10.0 10.00   4.72 138.30) =  27.532%  kept
          QD2   LEU   40 - HB    ILE  103   8.05 +/- 0.54   0.020% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  13.32 +/- 2.35   0.002% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.69 +/- 1.01   0.001% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.10 +/- 1.35   0.000% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  16.03 +/- 1.05   0.000% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.55 +/- 0.74   0.000% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1257 (0.96, 1.86, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.76, support = 4.79, residual support = 138.3:
    * O T QD1   ILE  103 - HB    ILE  103   2.21 +/- 0.26  45.860% * 78.5650% (0.92  10.0 10.00   4.72 138.30) =  75.829%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.13 +/- 0.01  54.118% * 21.2220% (0.25  10.0 10.00   5.02 138.30) =  24.171%  kept
          QD2   LEU   40 - HB    ILE  103   8.05 +/- 0.54   0.020% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.10 +/- 1.35   0.000% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.69 +/- 1.01   0.001% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  13.32 +/- 2.35   0.002% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.55 +/- 0.74   0.000% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (4.28, 0.98, 18.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.39, residual support = 138.3:
    * O T HA    ILE  103 - QG2   ILE  103   2.76 +/- 0.12  99.905% * 98.6567% (1.00  10.0 10.00   5.39 138.30) = 100.000%  kept
        T HA    THR   39 - QG2   ILE  103  13.03 +/- 0.34   0.009% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   ILE  103   9.83 +/- 0.59   0.052% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   ILE  103  13.47 +/- 1.08   0.008% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   ILE  103  11.88 +/- 1.13   0.018% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   ILE  103  16.32 +/- 0.85   0.002% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  16.49 +/- 0.67   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   ILE  103  19.99 +/- 0.83   0.001% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  20.85 +/- 0.53   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  27.57 +/- 1.94   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  21.37 +/- 1.12   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  25.60 +/- 1.92   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (1.86, 0.98, 18.17 ppm):
    13 chemical-shift based assignments, quality = 0.982, support = 5.03, residual support = 138.3:
    * O T HB    ILE  103 - QG2   ILE  103   2.13 +/- 0.01  85.457% * 82.9317% (1.00  10.0 10.00   5.02 138.30) =  97.816%  kept
      O T HG12  ILE  103 - QG2   ILE  103   3.09 +/- 0.17   9.620% * 16.4121% (0.20  10.0 10.00   5.31 138.30) =   2.179%  kept
          QB    LYS+ 106 - QG2   ILE  103   3.64 +/- 0.47   4.523% *  0.0664% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - QG2   ILE  103   5.24 +/- 0.26   0.395% *  0.0822% (0.99   1.0  1.00   0.02   2.57) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  14.70 +/- 1.28   0.001% *  0.0744% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE  103  14.77 +/- 0.46   0.001% *  0.0785% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE  103  16.02 +/- 1.91   0.001% *  0.0827% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE  103  16.54 +/- 0.83   0.000% *  0.0693% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  15.04 +/- 0.96   0.001% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  14.90 +/- 0.97   0.001% *  0.0311% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  13.99 +/- 0.57   0.001% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  17.57 +/- 0.62   0.000% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  21.02 +/- 0.87   0.000% *  0.0827% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.91, residual support = 138.3:
    *   T HA    ILE  103 - QD1   ILE  103   3.45 +/- 0.37  99.119% * 98.6567% (0.92 10.00   4.91 138.30) =  99.999%  kept
          HA    ASP-  44 - QD1   ILE  103   9.30 +/- 0.75   0.349% *  0.0933% (0.87  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QD1   ILE  103  12.85 +/- 0.73   0.039% *  0.7164% (0.67 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   ILE  103   9.42 +/- 1.22   0.354% *  0.0274% (0.26  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   ILE  103  11.53 +/- 1.09   0.098% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   ILE  103  14.86 +/- 0.96   0.020% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD1   ILE  103  17.94 +/- 0.91   0.006% *  0.0790% (0.74  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  16.90 +/- 0.93   0.009% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD1   ILE  103  20.75 +/- 0.88   0.003% *  0.0598% (0.56  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  20.91 +/- 1.27   0.002% *  0.0220% (0.21  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   ILE  103  26.92 +/- 2.37   0.001% *  0.0911% (0.85  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  25.09 +/- 2.19   0.001% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.793, support = 4.7, residual support = 138.3:
    * O T HB    ILE  103 - QD1   ILE  103   2.21 +/- 0.26  46.043% * 82.9317% (0.92  10.0 10.00   4.72 138.30) =  82.400%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.14 +/- 0.02  49.678% * 16.4121% (0.18  10.0 10.00   4.62 138.30) =  17.594%  kept
          QB    LYS+ 106 - QD1   ILE  103   4.46 +/- 1.08   4.221% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.006%
          HB3   ASP- 105 - QD1   ILE  103   7.65 +/- 0.97   0.054% *  0.0822% (0.91   1.0  1.00   0.02   2.57) =   0.000%
          QB    LYS+  33 - QD1   ILE  103  13.36 +/- 0.91   0.001% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  13.59 +/- 1.07   0.001% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE  103  14.67 +/- 0.87   0.001% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  17.18 +/- 1.81   0.000% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  13.65 +/- 0.93   0.001% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  15.73 +/- 1.38   0.000% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  17.27 +/- 1.10   0.000% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  17.80 +/- 1.20   0.000% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  21.20 +/- 1.22   0.000% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 217.2:
    * O T HB2   LEU  104 - HA    LEU  104   3.01 +/- 0.03  99.904% * 99.7433% (0.87  10.0 10.00   5.98 217.23) = 100.000%  kept
          QG2   VAL  108 - HA    LEU  104  10.40 +/- 0.40   0.060% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HA    LEU  104  12.84 +/- 1.51   0.023% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  14.05 +/- 1.31   0.012% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU  104  21.28 +/- 1.14   0.001% *  0.0605% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 217.2:
    * O T HB3   LEU  104 - HA    LEU  104   2.41 +/- 0.07  99.968% * 99.4463% (0.76  10.0 10.00   5.31 217.23) = 100.000%  kept
          QG1   VAL   70 - HA    LEU  104  10.79 +/- 1.28   0.016% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  104  12.91 +/- 1.75   0.007% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU  104  12.60 +/- 1.03   0.005% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  104  13.92 +/- 1.24   0.003% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  104  17.40 +/- 1.16   0.001% *  0.1167% (0.89   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1269 (1.53, 4.32, 55.17 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.88, residual support = 217.2:
    * O T HG    LEU  104 - HA    LEU  104   3.10 +/- 0.45  99.297% * 99.5259% (1.00  10.0 10.00   5.88 217.23) = 100.000%  kept
          HB3   LYS+ 121 - HA    LEU  104   8.76 +/- 1.14   0.318% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU  104   8.81 +/- 1.34   0.363% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LEU  104  16.50 +/- 2.21   0.007% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    LEU  104  16.61 +/- 1.93   0.007% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LEU  104  21.06 +/- 0.88   0.001% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  19.50 +/- 1.31   0.002% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU  104  19.11 +/- 0.69   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  21.27 +/- 1.33   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 217.2:
    *   T QD1   LEU  104 - HA    LEU  104   3.71 +/- 0.22  99.674% * 98.8828% (0.96 10.00   5.31 217.23) =  99.999%  kept
        T QD1   LEU   63 - HA    LEU  104  11.02 +/- 0.99   0.185% *  0.4212% (0.41 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HA    LEU  104  13.56 +/- 0.75   0.047% *  0.4212% (0.41 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU  104  13.81 +/- 1.49   0.050% *  0.0783% (0.76  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  104  17.28 +/- 1.10   0.011% *  0.0889% (0.87  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  104  17.48 +/- 0.77   0.010% *  0.0820% (0.80  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HA    LEU  104  15.05 +/- 0.71   0.024% *  0.0255% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.34 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.71, residual support = 217.2:
    *   T QD2   LEU  104 - HA    LEU  104   2.47 +/- 0.52  99.144% * 98.7440% (1.00 10.00   5.71 217.23) =  99.997%  kept
        T QD1   LEU   98 - HA    LEU  104   6.10 +/- 0.41   0.767% *  0.3048% (0.31 10.00   0.02   8.93) =   0.002%
        T QG1   VAL   41 - HA    LEU  104   9.91 +/- 1.05   0.050% *  0.1954% (0.20 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HA    LEU  104  16.58 +/- 0.95   0.002% *  0.5590% (0.56 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    LEU  104  10.24 +/- 0.66   0.035% *  0.0337% (0.34  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU  104  17.92 +/- 1.20   0.001% *  0.0953% (0.96  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    LEU  104  18.52 +/- 0.74   0.001% *  0.0678% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 217.2:
    * O T HA    LEU  104 - HB2   LEU  104   3.01 +/- 0.03  99.990% * 99.7454% (0.87  10.0 10.00   5.98 217.23) = 100.000%  kept
          HA    TRP   87 - HB2   LEU  104  15.08 +/- 0.98   0.007% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   LEU  104  18.77 +/- 1.07   0.002% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   LEU  104  22.37 +/- 1.35   0.001% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  27.23 +/- 2.17   0.000% *  0.0647% (0.56   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.43, residual support = 217.2:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  99.977% * 99.4463% (0.66  10.0 10.00   5.43 217.23) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  104   8.41 +/- 1.37   0.012% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  104  10.84 +/- 1.89   0.006% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU  104  10.85 +/- 1.17   0.002% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  11.24 +/- 1.21   0.002% *  0.0535% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  104  15.32 +/- 1.23   0.000% *  0.1167% (0.78   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 217.2:
    * O T HG    LEU  104 - HB2   LEU  104   2.58 +/- 0.27  98.779% * 99.5259% (0.87  10.0 10.00   6.00 217.23) =  99.999%  kept
          HB3   LYS+ 121 - HB2   LEU  104   7.55 +/- 1.20   0.327% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  104   7.45 +/- 1.85   0.881% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB2   LEU  104  14.26 +/- 1.82   0.006% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LEU  104  15.96 +/- 2.26   0.003% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   LEU  104  18.83 +/- 0.97   0.001% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  17.68 +/- 1.41   0.001% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  17.59 +/- 0.66   0.001% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  18.42 +/- 1.33   0.001% *  0.0248% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1276 (0.60, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.43, residual support = 217.2:
    * O T QD1   LEU  104 - HB2   LEU  104   2.38 +/- 0.30  99.927% * 98.8828% (0.84  10.0 10.00   5.43 217.23) = 100.000%  kept
        T QD1   LEU   63 - HB2   LEU  104   9.02 +/- 0.92   0.050% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU  104  11.97 +/- 0.70   0.008% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU  104  12.45 +/- 1.66   0.009% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  104  16.76 +/- 1.12   0.001% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  104  16.41 +/- 0.74   0.001% *  0.0820% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  14.39 +/- 0.64   0.003% *  0.0255% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.1, residual support = 217.2:
    * O T QD2   LEU  104 - HB2   LEU  104   3.04 +/- 0.20  96.763% * 99.0156% (0.87  10.0 10.00   6.10 217.23) =  99.998%  kept
          QD1   LEU   98 - HB2   LEU  104   5.74 +/- 0.58   2.789% *  0.0306% (0.27   1.0  1.00   0.02   8.93) =   0.001%
        T QG1   VAL   41 - HB2   LEU  104   8.68 +/- 1.06   0.260% *  0.1960% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HB2   LEU  104   9.00 +/- 0.63   0.169% *  0.0338% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB2   LEU  104  14.41 +/- 0.96   0.010% *  0.5606% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB2   LEU  104  15.83 +/- 1.19   0.006% *  0.0956% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB2   LEU  104  17.00 +/- 0.83   0.004% *  0.0680% (0.60   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (4.32, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 217.2:
    * O T HA    LEU  104 - HB3   LEU  104   2.41 +/- 0.07  99.998% * 99.7454% (0.76  10.0 10.00   5.31 217.23) = 100.000%  kept
          HA    TRP   87 - HB3   LEU  104  16.21 +/- 1.02   0.001% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  19.94 +/- 1.10   0.000% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   LEU  104  23.62 +/- 1.37   0.000% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  28.30 +/- 2.21   0.000% *  0.0647% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (1.04, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.663, support = 5.43, residual support = 217.2:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  99.996% * 99.7433% (0.66  10.0 10.00   5.43 217.23) = 100.000%  kept
          QG2   VAL  108 - HB3   LEU  104  11.10 +/- 0.32   0.002% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  11.74 +/- 1.61   0.002% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  12.59 +/- 1.17   0.001% *  0.0201% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  20.75 +/- 1.20   0.000% *  0.0605% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.28, residual support = 217.2:
    * O T HG    LEU  104 - HB3   LEU  104   2.92 +/- 0.10  98.196% * 99.5259% (0.76  10.0 10.00   5.28 217.23) =  99.999%  kept
          HB3   LYS+ 121 - HB3   LEU  104   7.30 +/- 1.14   0.652% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HB3   LEU  104   7.44 +/- 1.59   1.135% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   LEU  104  14.76 +/- 1.93   0.008% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   LEU  104  16.52 +/- 2.28   0.004% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  20.43 +/- 1.01   0.001% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  18.93 +/- 1.47   0.002% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  19.54 +/- 1.44   0.001% *  0.0248% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB3   LEU  104  18.92 +/- 0.67   0.001% *  0.0197% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.738, support = 5.0, residual support = 217.2:
    * O T QD1   LEU  104 - HB3   LEU  104   2.48 +/- 0.40  99.943% * 98.8828% (0.74  10.0 10.00   5.00 217.23) = 100.000%  kept
        T QD1   LEU   63 - HB3   LEU  104  10.02 +/- 0.88   0.036% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU  104  13.33 +/- 0.69   0.007% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU  104  13.01 +/- 1.60   0.009% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU  104  18.00 +/- 1.07   0.001% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  104  17.78 +/- 0.72   0.001% *  0.0820% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  15.58 +/- 0.65   0.002% *  0.0255% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 5.31, residual support = 217.2:
    * O T QD2   LEU  104 - HB3   LEU  104   2.43 +/- 0.36  99.575% * 99.0156% (0.76  10.0 10.00   5.31 217.23) = 100.000%  kept
          QD1   LEU   98 - HB3   LEU  104   6.84 +/- 0.50   0.363% *  0.0306% (0.24   1.0  1.00   0.02   8.93) =   0.000%
        T QG1   VAL   41 - HB3   LEU  104   9.73 +/- 1.03   0.034% *  0.1960% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB3   LEU  104  15.70 +/- 0.98   0.002% *  0.5606% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB3   LEU  104  10.37 +/- 0.63   0.024% *  0.0338% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB3   LEU  104  17.08 +/- 1.25   0.001% *  0.0956% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB3   LEU  104  18.33 +/- 0.86   0.001% *  0.0680% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1284 (4.32, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.88, residual support = 217.2:
    * O T HA    LEU  104 - HG    LEU  104   3.10 +/- 0.45  99.986% * 99.7454% (1.00  10.0 10.00   5.88 217.23) = 100.000%  kept
          HA    TRP   87 - HG    LEU  104  15.18 +/- 1.03   0.010% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG    LEU  104  18.51 +/- 1.04   0.003% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG    LEU  104  22.59 +/- 1.48   0.001% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  27.13 +/- 2.42   0.000% *  0.0647% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 217.2:
    * O T HB2   LEU  104 - HG    LEU  104   2.58 +/- 0.27  99.969% * 99.7433% (0.87  10.0 10.00   6.00 217.23) = 100.000%  kept
          QG2   VAL  108 - HG    LEU  104  11.52 +/- 0.41   0.015% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU  104  12.94 +/- 1.86   0.009% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HG    LEU  104  13.47 +/- 1.36   0.007% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HG    LEU  104  22.49 +/- 1.46   0.000% *  0.0605% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1286 (0.86, 1.53, 26.82 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.28, residual support = 217.2:
    * O T HB3   LEU  104 - HG    LEU  104   2.92 +/- 0.10  99.702% * 99.4463% (0.76  10.0 10.00   5.28 217.23) = 100.000%  kept
          QG1   VAL   70 - HG    LEU  104   8.97 +/- 1.28   0.189% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  104  10.85 +/- 1.59   0.065% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HG    LEU  104  12.55 +/- 1.36   0.021% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  104  12.97 +/- 1.41   0.018% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  104  16.05 +/- 1.44   0.005% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.28, residual support = 217.2:
    * O T QD1   LEU  104 - HG    LEU  104   2.11 +/- 0.02  99.986% * 98.8828% (0.97  10.0 10.00   5.28 217.23) = 100.000%  kept
        T QD1   LEU   63 - HG    LEU  104  10.64 +/- 1.14   0.007% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU  104  11.85 +/- 0.89   0.004% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  14.40 +/- 1.77   0.001% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  104  16.52 +/- 1.08   0.000% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  16.49 +/- 0.81   0.000% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  15.15 +/- 0.72   0.001% *  0.0255% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1289 (0.73, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.81, residual support = 217.2:
    * O T QD2   LEU  104 - HG    LEU  104   2.11 +/- 0.01  99.382% * 99.0156% (1.00  10.0 10.00   5.81 217.23) = 100.000%  kept
          QD1   LEU   98 - HG    LEU  104   5.25 +/- 0.57   0.528% *  0.0306% (0.31   1.0  1.00   0.02   8.93) =   0.000%
        T QG1   VAL   41 - HG    LEU  104   7.71 +/- 1.19   0.067% *  0.1960% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU  104   9.01 +/- 0.94   0.020% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HG    LEU  104  15.31 +/- 0.99   0.001% *  0.5606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HG    LEU  104  15.92 +/- 1.56   0.001% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU  104  17.96 +/- 1.03   0.000% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 217.2:
    *   T HA    LEU  104 - QD1   LEU  104   3.71 +/- 0.22  99.276% * 99.2875% (0.96 10.00   5.31 217.23) =  99.999%  kept
        T HA    LEU  104 - QD1   LEU   63  11.02 +/- 0.99   0.184% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QD1   LEU   73  13.56 +/- 0.75   0.047% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU  104  13.89 +/- 1.28   0.048% *  0.0446% (0.43  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   73  11.80 +/- 1.07   0.116% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  11.62 +/- 0.71   0.123% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU  104  16.68 +/- 1.27   0.015% *  0.0684% (0.66  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  12.41 +/- 0.85   0.079% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU  104  17.96 +/- 1.32   0.010% *  0.0760% (0.74  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  14.09 +/- 1.39   0.043% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  15.35 +/- 1.11   0.023% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  16.14 +/- 1.75   0.019% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU  104  21.66 +/- 1.92   0.003% *  0.0644% (0.62  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  17.12 +/- 1.42   0.012% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  20.43 +/- 1.53   0.004% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1291 (1.04, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.772, support = 5.33, residual support = 213.0:
    * O T HB2   LEU  104 - QD1   LEU  104   2.38 +/- 0.30  31.831% * 89.5873% (0.84  10.0 10.00   5.43 217.23) =  91.664%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  54.033% *  3.3313% (0.03  10.0 10.00   5.62 240.48) =   5.786%  kept
        T QD1   ILE  119 - QD1   LEU   63   3.33 +/- 0.96  14.078% *  5.6341% (0.10   1.0 10.00   1.05   0.25) =   2.549%  kept
        T QD1   ILE  119 - QD1   LEU  104  10.36 +/- 1.52   0.006% *  0.5847% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   63   9.02 +/- 0.92   0.011% *  0.1650% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  10.59 +/- 1.15   0.004% *  0.1809% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   63   8.08 +/- 1.03   0.022% *  0.0184% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU  104  10.37 +/- 0.54   0.004% *  0.0997% (0.93   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   73  11.97 +/- 0.70   0.002% *  0.1650% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   ILE  119 - QD1   LEU   73  12.28 +/- 1.48   0.002% *  0.1077% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  11.89 +/- 1.22   0.002% *  0.0333% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  11.39 +/- 1.05   0.003% *  0.0184% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.98 +/- 1.29   0.004% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  18.73 +/- 1.29   0.000% *  0.0543% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  20.70 +/- 1.57   0.000% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (0.86, 0.60, 26.08 ppm):
    18 chemical-shift based assignments, quality = 0.696, support = 5.05, residual support = 218.7:
    * O T HB3   LEU  104 - QD1   LEU  104   2.48 +/- 0.40  50.818% * 89.6045% (0.74  10.0 10.00   5.00 217.23) =  93.752%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.62 +/- 0.19  34.138% *  8.8779% (0.07  10.0 10.00   5.89 240.48) =   6.240%  kept
          QD1   LEU   71 - QD1   LEU   73   4.75 +/- 1.75   8.234% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   71 - QD1   LEU   63   8.57 +/- 2.49   4.273% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD1   LEU   63   6.40 +/- 1.32   1.532% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU  104   6.63 +/- 1.16   0.205% *  0.1132% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   8.58 +/- 1.69   0.166% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104  10.14 +/- 1.06   0.015% *  0.4820% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   63   6.40 +/- 1.08   0.248% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   73   6.08 +/- 0.32   0.212% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104   9.60 +/- 1.16   0.016% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   63  10.02 +/- 0.88   0.011% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   63   7.80 +/- 1.03   0.062% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   7.95 +/- 0.94   0.052% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  10.71 +/- 1.14   0.010% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   73  13.33 +/- 0.69   0.002% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  13.16 +/- 1.08   0.003% *  0.1052% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  14.46 +/- 1.28   0.001% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (1.53, 0.60, 26.08 ppm):
    27 chemical-shift based assignments, quality = 0.965, support = 5.28, residual support = 217.2:
    * O T HG    LEU  104 - QD1   LEU  104   2.11 +/- 0.02  97.970% * 98.9901% (0.97  10.0 10.00   5.28 217.23) = 100.000%  kept
          HD2   LYS+ 121 - QD1   LEU  104   7.44 +/- 1.78   0.291% *  0.0306% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU  104   7.51 +/- 1.06   0.074% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   73   4.52 +/- 0.42   1.203% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   63  10.64 +/- 1.14   0.007% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63   7.92 +/- 1.35   0.071% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   63   7.35 +/- 0.69   0.069% *  0.0125% (0.12   1.0  1.00   0.02   5.50) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   6.84 +/- 0.79   0.112% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   73  11.85 +/- 0.89   0.004% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63   7.25 +/- 1.27   0.104% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   63   8.88 +/- 0.81   0.020% *  0.0176% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   73   9.06 +/- 0.38   0.016% *  0.0176% (0.17   1.0  1.00   0.02  38.85) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63   9.75 +/- 1.36   0.014% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU  104  12.13 +/- 1.43   0.004% *  0.0680% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   8.25 +/- 0.41   0.029% *  0.0045% (0.04   1.0  1.00   0.02   1.46) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  15.39 +/- 1.88   0.001% *  0.0970% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  13.71 +/- 1.43   0.002% *  0.0372% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  16.61 +/- 1.27   0.000% *  0.0955% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  104  14.52 +/- 1.11   0.001% *  0.0196% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  15.76 +/- 1.11   0.001% *  0.0247% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  14.50 +/- 0.61   0.001% *  0.0125% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  15.99 +/- 1.00   0.001% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  13.53 +/- 1.18   0.002% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  13.18 +/- 0.91   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  18.08 +/- 1.63   0.000% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  15.36 +/- 1.76   0.001% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  15.78 +/- 1.47   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 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 = 0.964, support = 5.44, residual support = 217.0:
    * O T QD2   LEU  104 - QD1   LEU  104   2.07 +/- 0.04  76.033% * 97.9671% (0.97  10.0 10.00   5.45 217.23) =  99.899%  kept
          QG1   VAL   43 - QD1   LEU   73   3.05 +/- 0.86  21.506% *  0.3454% (0.06   1.0  1.00   1.12   8.01) =   0.100%
        T QG1   VAL   41 - QD1   LEU   73   4.86 +/- 1.02   1.060% *  0.0357% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T QG1   VAL   41 - QD1   LEU  104   6.48 +/- 1.30   0.139% *  0.1939% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU  104   5.22 +/- 0.88   0.495% *  0.0302% (0.30   1.0  1.00   0.02   8.93) =   0.000%
        T QG2   VAL   18 - QD1   LEU   63   6.50 +/- 0.66   0.094% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU   73   6.81 +/- 0.59   0.071% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   73   5.25 +/- 0.60   0.393% *  0.0174% (0.17   1.0  1.00   0.02   4.16) =   0.000%
        T QD2   LEU  104 - QD1   LEU   63   9.74 +/- 0.72   0.008% *  0.1804% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU  104  12.44 +/- 1.18   0.002% *  0.5546% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   7.91 +/- 1.00   0.034% *  0.0334% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   73  10.91 +/- 0.76   0.004% *  0.1804% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   6.88 +/- 0.86   0.066% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63  10.13 +/- 0.99   0.006% *  0.0357% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   73   8.69 +/- 0.56   0.015% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.92 +/- 0.90   0.030% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   63   8.97 +/- 0.98   0.014% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU  104  12.89 +/- 1.27   0.001% *  0.0945% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63   8.68 +/- 1.35   0.023% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63  10.67 +/- 1.16   0.005% *  0.0174% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  15.16 +/- 1.07   0.001% *  0.0673% (0.66   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1296 (4.32, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.998, support = 5.71, residual support = 217.2:
    *   T HA    LEU  104 - QD2   LEU  104   2.47 +/- 0.52  99.859% * 99.4871% (1.00 10.00   5.71 217.23) = 100.000%  kept
        T HA    LEU  104 - QG1   VAL   41   9.91 +/- 1.05   0.051% *  0.0534% (0.05 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   VAL   18  10.11 +/- 1.02   0.042% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QG2   VAL   18  16.58 +/- 0.95   0.002% *  0.1529% (0.15 10.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD2   LEU  104  13.63 +/- 1.15   0.007% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD2   LEU  104  16.40 +/- 1.28   0.002% *  0.0685% (0.69  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD2   LEU  104  19.68 +/- 1.25   0.001% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  12.47 +/- 0.76   0.013% *  0.0024% (0.02  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  15.56 +/- 1.03   0.003% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  13.87 +/- 1.39   0.007% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  13.71 +/- 0.97   0.007% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  15.89 +/- 1.00   0.003% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  23.23 +/- 2.00   0.000% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  17.56 +/- 0.91   0.002% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  17.30 +/- 2.33   0.002% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.1, residual support = 217.2:
    * O T HB2   LEU  104 - QD2   LEU  104   3.04 +/- 0.20  98.867% * 99.4846% (0.87  10.0 10.00   6.10 217.23) = 100.000%  kept
        T HB2   LEU  104 - QG1   VAL   41   8.68 +/- 1.06   0.266% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD2   LEU  104  10.36 +/- 0.43   0.070% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD2   LEU  104  11.46 +/- 1.35   0.052% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   18   8.80 +/- 0.86   0.197% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QG2   VAL   18  14.41 +/- 0.96   0.010% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   8.09 +/- 1.01   0.390% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QD2   LEU  104  12.16 +/- 1.04   0.029% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  12.02 +/- 1.04   0.031% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  11.98 +/- 0.63   0.030% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  13.07 +/- 1.77   0.029% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU  104  19.43 +/- 1.01   0.002% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  16.34 +/- 1.53   0.005% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  12.77 +/- 1.20   0.022% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  22.20 +/- 1.61   0.001% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (0.86, 0.73, 22.45 ppm):
    18 chemical-shift based assignments, quality = 0.596, support = 4.96, residual support = 179.5:
    * O T HB3   LEU  104 - QD2   LEU  104   2.43 +/- 0.36  32.434% * 83.3286% (0.76  10.0 10.00   5.31 217.23) =  73.145%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.08 +/- 0.04  66.038% * 15.0261% (0.14  10.0 10.00   4.00  76.63) =  26.855%  kept
          QD1   LEU   71 - QG1   VAL   41   5.05 +/- 1.21   1.229% *  0.0058% (0.05   1.0  1.00   0.02   4.31) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   8.04 +/- 1.03   0.023% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104   9.81 +/- 1.64   0.012% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   7.42 +/- 1.11   0.055% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   7.79 +/- 1.27   0.049% *  0.0162% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  14.45 +/- 1.08   0.001% *  0.9779% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  10.73 +/- 1.03   0.004% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.09 +/- 1.26   0.060% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.83 +/- 0.68   0.072% *  0.0057% (0.05   1.0  1.00   0.02   2.71) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   9.73 +/- 1.03   0.008% *  0.0448% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41  10.21 +/- 1.10   0.006% *  0.0525% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  11.83 +/- 0.98   0.002% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.70 +/- 0.98   0.000% *  0.1280% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  11.67 +/- 1.08   0.003% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  13.79 +/- 1.59   0.001% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.71 +/- 0.93   0.002% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1299 (1.53, 0.73, 22.45 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 5.81, residual support = 217.2:
    * O T HG    LEU  104 - QD2   LEU  104   2.11 +/- 0.01  92.747% * 99.1831% (1.00  10.0 10.00   5.81 217.23) =  99.998%  kept
          HD3   LYS+  74 - QG2   VAL   18   3.76 +/- 0.87   5.744% *  0.0147% (0.15   1.0  1.00   0.02   0.99) =   0.001%
          HG2   LYS+  65 - QG2   VAL   18   6.66 +/- 1.96   1.132% *  0.0446% (0.04   1.0  1.00   0.23   0.02) =   0.001%
          HB3   LYS+ 121 - QD2   LEU  104   8.19 +/- 1.06   0.041% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG1   VAL   41   7.71 +/- 1.19   0.061% *  0.0533% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  104   8.31 +/- 1.50   0.052% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   6.60 +/- 0.97   0.149% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  13.64 +/- 1.60   0.002% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG2   VAL   18  15.31 +/- 0.99   0.001% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG2   VAL   18  10.15 +/- 0.92   0.009% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   8.64 +/- 0.48   0.021% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  15.77 +/- 1.92   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  14.79 +/- 1.36   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   8.62 +/- 0.92   0.026% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  17.99 +/- 0.86   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  15.32 +/- 1.79   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  12.65 +/- 0.99   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  15.42 +/- 0.74   0.001% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  15.87 +/- 1.11   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.52 +/- 1.18   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  14.08 +/- 1.33   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  13.99 +/- 0.69   0.001% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  14.68 +/- 1.56   0.001% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  13.66 +/- 2.00   0.002% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  14.64 +/- 0.80   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  18.98 +/- 2.01   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  15.79 +/- 1.07   0.001% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1300 (0.60, 0.73, 22.45 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.45, residual support = 217.2:
    * O T QD1   LEU  104 - QD2   LEU  104   2.07 +/- 0.04  98.011% * 98.4528% (0.97  10.0 10.00   5.45 217.23) =  99.999%  kept
        T QD1   LEU   73 - QG1   VAL   41   4.86 +/- 1.02   1.449% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG1   VAL   41   6.48 +/- 1.30   0.232% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG2   VAL   18   6.50 +/- 0.66   0.127% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   6.81 +/- 0.59   0.090% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   9.74 +/- 0.72   0.010% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  10.91 +/- 0.76   0.005% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   18  12.44 +/- 1.18   0.003% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18   8.91 +/- 0.62   0.017% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41  10.13 +/- 0.99   0.009% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU  104  12.61 +/- 1.32   0.002% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18  10.59 +/- 0.99   0.006% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU  104  14.75 +/- 1.10   0.001% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  14.82 +/- 0.82   0.001% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  11.91 +/- 1.08   0.003% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41   9.77 +/- 0.78   0.010% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41  10.11 +/- 0.95   0.009% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18   9.93 +/- 0.75   0.009% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  13.67 +/- 0.76   0.001% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  14.80 +/- 1.76   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  11.89 +/- 0.38   0.003% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1301 (0.73, 0.73, 22.45 ppm):
    3 diagonal assignments:
    *     QD2   LEU  104 - QD2   LEU  104  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.09)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.01)  kept
 
    Peak 1302 (4.80, 4.80, 54.18 ppm):
    1 diagonal assignment:
    *     HA    ASP- 105 - HA    ASP- 105  (1.00)  kept
 
    Peak 1303 (2.23, 4.80, 54.18 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 3.12, residual support = 41.3:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.71 +/- 0.11  99.850% * 99.5527% (0.95  10.0 10.00   3.12  41.30) = 100.000%  kept
          HB2   MET   96 - HA    ASP- 105   8.97 +/- 0.35   0.081% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP- 105   9.92 +/- 1.36   0.056% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP- 105  15.28 +/- 0.79   0.003% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  13.57 +/- 1.62   0.008% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  18.26 +/- 1.28   0.001% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ASP- 105  23.07 +/- 0.48   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  20.05 +/- 1.11   0.001% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  23.96 +/- 0.59   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.80, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.12, residual support = 41.3:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.71 +/- 0.11  99.999% * 99.7814% (0.95  10.0 10.00   3.12  41.30) = 100.000%  kept
          HA    LEU   80 - HB2   ASP- 105  22.34 +/- 0.68   0.000% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP- 105  24.50 +/- 1.12   0.000% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB2   ASP- 105  22.21 +/- 0.93   0.000% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  24.02 +/- 0.69   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.31, residual support = 135.8:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.18 +/- 0.10  99.017% * 99.1664% (1.00  10.0 10.00   6.31 135.84) =  99.999%  kept
          HB3   ASP- 105 - HA    LYS+ 106   4.81 +/- 0.27   0.927% *  0.0860% (0.87   1.0  1.00   0.02  19.38) =   0.001%
          HB    ILE  103 - HA    LYS+ 106   8.04 +/- 0.48   0.045% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+ 106  12.04 +/- 1.18   0.004% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+ 106  14.93 +/- 1.18   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  12.97 +/- 0.94   0.003% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  17.06 +/- 2.25   0.001% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+ 106  18.06 +/- 0.50   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  18.19 +/- 0.38   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  16.47 +/- 0.57   0.001% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  19.47 +/- 0.88   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  19.25 +/- 0.61   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  16.84 +/- 0.79   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1309 (1.56, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 135.8:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.76 +/- 0.53  99.473% * 98.2431% (1.00  10.0 10.00   5.02 135.84) = 100.000%  kept
        T QG    LYS+  81 - HA    LYS+ 106  17.98 +/- 0.61   0.011% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 106  10.20 +/- 2.17   0.473% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+ 106  19.61 +/- 1.19   0.006% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+ 106  14.63 +/- 0.91   0.037% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.8, residual support = 135.8:
    *   T QD    LYS+ 106 - HA    LYS+ 106   4.01 +/- 0.29  98.079% * 98.5750% (1.00 10.00   4.80 135.84) =  99.997%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.57 +/- 0.58   0.180% *  0.9836% (1.00 10.00   0.02   0.02) =   0.002%
          QG1   ILE   56 - HA    LYS+ 106   9.50 +/- 1.25   0.689% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 106  11.95 +/- 1.15   0.171% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+ 106  12.66 +/- 1.65   0.158% *  0.0716% (0.73  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 106  13.26 +/- 1.45   0.104% *  0.0932% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 106  11.59 +/- 0.77   0.201% *  0.0405% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LYS+ 106  11.36 +/- 0.49   0.212% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+ 106  12.12 +/- 0.90   0.152% *  0.0246% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 106  14.40 +/- 0.78   0.054% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1311 (2.98, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 0.961, support = 4.86, residual support = 117.9:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.33 +/- 0.46  43.712% * 88.3699% (1.00 10.00   5.07 135.84) =  85.715%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.11 +/- 0.35  56.103% * 11.4739% (0.73  1.00   3.58  10.43) =  14.284%  kept
          HB3   PHE   60 - HA    LYS+ 106  11.22 +/- 1.34   0.159% *  0.0836% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    LYS+ 106  15.21 +/- 0.61   0.022% *  0.0607% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 106  19.69 +/- 1.01   0.005% *  0.0120% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (5.63, 1.87, 37.27 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.31, residual support = 135.8:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.18 +/- 0.10 100.000% *100.0000% (1.00  10.0 10.00   6.31 135.84) = 100.000%  kept
    Distance limit 3.32 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 = 5.31, residual support = 135.8:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.32 +/- 0.12  99.958% * 98.2431% (1.00  10.0 10.00   5.31 135.84) = 100.000%  kept
        T QG    LYS+  81 - QB    LYS+ 106  15.46 +/- 0.65   0.001% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+ 106   9.36 +/- 1.93   0.038% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+ 106  18.05 +/- 1.09   0.001% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  14.03 +/- 0.75   0.002% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1316 (1.70, 1.87, 37.27 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.08, residual support = 135.8:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.35 +/- 0.20  99.851% * 97.1433% (1.00  10.0 10.00   5.08 135.84) = 100.000%  kept
        T QG1   ILE   56 - QB    LYS+ 106   9.56 +/- 1.25   0.045% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 106  11.32 +/- 1.60   0.014% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QB    LYS+ 106  11.06 +/- 0.36   0.010% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 106  10.43 +/- 1.24   0.020% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - QB    LYS+ 106  14.65 +/- 0.72   0.002% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 106  12.50 +/- 1.49   0.007% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106  10.14 +/- 1.06   0.024% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  10.74 +/- 0.60   0.013% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  10.71 +/- 0.40   0.013% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.993, support = 5.26, residual support = 132.9:
    *   T QE    LYS+ 106 - QB    LYS+ 106   2.61 +/- 0.64  94.997% * 68.0300% (1.00 10.00   5.35 135.84) =  97.613%  kept
        T HB2   PHE   97 - QB    LYS+ 106   4.77 +/- 0.34   4.962% * 31.8497% (0.73 10.00   1.29  10.43) =   2.387%  kept
          HB3   PHE   60 - QB    LYS+ 106  11.51 +/- 1.27   0.029% *  0.0644% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QB    LYS+ 106  13.60 +/- 0.59   0.010% *  0.0467% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+ 106  17.56 +/- 0.94   0.002% *  0.0092% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 5.02, residual support = 135.8:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.76 +/- 0.53  99.983% * 99.1803% (1.00  10.0 10.00   5.02 135.84) = 100.000%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  19.61 +/- 1.19   0.006% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 106 - QG    LYS+  81  17.98 +/- 0.61   0.011% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 0.717, support = 5.28, residual support = 134.0:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.32 +/- 0.12  25.729% * 54.3218% (1.00  10.0 10.00   5.31 135.84) =  49.095%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.26 +/- 0.08  29.532% * 31.1646% (0.57  10.0 10.00   5.67 149.87) =  32.328%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.10 +/- 0.02  44.347% * 11.9258% (0.22  10.0 10.00   4.50 101.42) =  18.577%  kept
          HB    ILE  103 - HG2   LYS+ 106   6.19 +/- 1.02   0.102% *  0.0435% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.43 +/- 0.42   0.061% *  0.0471% (0.87   1.0  1.00   0.02  19.38) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   5.96 +/- 0.93   0.190% *  0.0135% (0.25   1.0  1.00   0.02   0.17) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   8.84 +/- 2.28   0.030% *  0.0117% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  10.83 +/- 1.25   0.003% *  0.0200% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  18.45 +/- 1.17   0.000% *  0.5420% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  18.05 +/- 1.09   0.000% *  0.3294% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.49 +/- 1.03   0.000% *  0.5139% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  15.46 +/- 0.65   0.000% *  0.1195% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  14.96 +/- 1.73   0.000% *  0.0532% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  14.63 +/- 1.27   0.000% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  21.26 +/- 1.06   0.000% *  0.3287% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  18.63 +/- 0.75   0.000% *  0.1131% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  14.06 +/- 1.35   0.001% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  12.85 +/- 1.72   0.002% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  17.14 +/- 2.27   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  19.90 +/- 2.27   0.000% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  18.02 +/- 1.33   0.000% *  0.0223% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.42 +/- 1.11   0.000% *  0.0264% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.55 +/- 1.49   0.000% *  0.0286% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  20.02 +/- 0.84   0.000% *  0.0329% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  22.03 +/- 0.85   0.000% *  0.0454% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  17.32 +/- 1.29   0.000% *  0.0100% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  15.62 +/- 0.79   0.000% *  0.0049% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.02 +/- 1.43   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  20.20 +/- 1.02   0.000% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.08 +/- 1.15   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  26.25 +/- 1.40   0.000% *  0.0323% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  21.82 +/- 0.77   0.000% *  0.0104% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  25.91 +/- 1.53   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  29.51 +/- 2.24   0.000% *  0.0275% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  27.03 +/- 1.22   0.000% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  27.09 +/- 1.28   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  27.01 +/- 0.61   0.000% *  0.0072% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  26.44 +/- 1.57   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  22.53 +/- 0.97   0.000% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.1, residual support = 135.8:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.35 +/- 0.12  99.909% * 96.6493% (1.00  10.0 10.00   4.10 135.84) = 100.000%  kept
        T QD    LYS+  99 - HG2   LYS+ 106  12.25 +/- 0.60   0.005% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  33  13.91 +/- 1.53   0.003% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  33  10.24 +/- 1.14   0.019% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 106  10.61 +/- 1.30   0.019% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+ 106  13.37 +/- 2.18   0.005% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  12.05 +/- 1.14   0.007% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 106  13.29 +/- 1.48   0.004% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  33  19.44 +/- 1.84   0.000% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  11.86 +/- 0.69   0.007% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG    LYS+  81  16.78 +/- 1.12   0.001% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  13.69 +/- 1.10   0.004% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  15.57 +/- 1.43   0.001% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  13.23 +/- 1.54   0.005% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  13.79 +/- 0.75   0.003% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  16.54 +/- 1.36   0.001% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  14.78 +/- 1.83   0.002% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  23.23 +/- 0.63   0.000% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  15.15 +/- 1.04   0.002% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  16.74 +/- 1.55   0.001% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  16.39 +/- 0.82   0.001% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  21.94 +/- 1.56   0.000% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  21.82 +/- 1.61   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  26.15 +/- 1.17   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  25.44 +/- 2.98   0.000% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  25.79 +/- 1.11   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  21.44 +/- 1.68   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  31.21 +/- 1.68   0.000% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  24.08 +/- 0.52   0.000% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  28.72 +/- 0.98   0.000% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1329 (2.98, 1.56, 25.37 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 4.36, residual support = 135.8:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.63 +/- 0.35  98.549% * 98.7341% (1.00  10.0 10.00   4.36 135.84) =  99.999%  kept
          HB2   PHE   97 - HG2   LYS+ 106   5.93 +/- 0.58   1.190% *  0.0717% (0.73   1.0  1.00   0.02  10.43) =   0.001%
          HB2   ASN   35 - HG2   LYS+  33   7.92 +/- 0.68   0.195% *  0.0081% (0.08   1.0  1.00   0.02   1.35) =   0.000%
          HB3   TRP   27 - HG2   LYS+  33  10.70 +/- 0.53   0.027% *  0.0411% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - HG2   LYS+  33  19.80 +/- 1.73   0.001% *  0.5988% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+ 106  14.57 +/- 1.50   0.005% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - QG    LYS+  81  16.53 +/- 1.71   0.002% *  0.2172% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  11.30 +/- 0.89   0.023% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+ 106  16.66 +/- 1.16   0.002% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  17.17 +/- 1.37   0.002% *  0.0435% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  16.77 +/- 1.02   0.002% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  20.06 +/- 1.69   0.001% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  20.07 +/- 1.44   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  20.00 +/- 0.47   0.001% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  22.55 +/- 1.00   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1330 (5.63, 1.70, 30.09 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 135.8:
    *   T HA    LYS+ 106 - QD    LYS+ 106   4.01 +/- 0.29  99.817% * 99.1942% (0.99 10.00   4.80 135.84) =  99.999%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.57 +/- 0.58   0.183% *  0.8058% (0.81 10.00   0.02   0.02) =   0.001%
    Distance limit 4.83 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 = 5.08, residual support = 135.8:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.35 +/- 0.20  97.993% * 96.5416% (0.99  10.0 10.00   5.08 135.84) =  99.998%  kept
          HB    ILE  103 - QD    LYS+ 106   5.71 +/- 1.11   1.260% *  0.0773% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD    LYS+ 106   6.36 +/- 0.62   0.462% *  0.0837% (0.86   1.0  1.00   0.02  19.38) =   0.000%
        T QB    LYS+ 106 - QD    LYS+  99  11.06 +/- 0.36   0.010% *  0.7842% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  99   7.63 +/- 1.15   0.146% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  99   8.39 +/- 0.64   0.061% *  0.0680% (0.70   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+ 106  13.34 +/- 1.47   0.005% *  0.7378% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  99   9.56 +/- 0.44   0.025% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  99  11.51 +/- 1.76   0.014% *  0.0599% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+ 106  13.31 +/- 1.65   0.004% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  99  12.89 +/- 0.64   0.004% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+  99  20.29 +/- 1.27   0.000% *  0.5993% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  12.56 +/- 1.31   0.006% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+ 106  16.53 +/- 1.21   0.001% *  0.0963% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  99  14.73 +/- 1.16   0.002% *  0.0322% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  18.33 +/- 2.16   0.001% *  0.0738% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  17.83 +/- 1.24   0.001% *  0.0913% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  16.53 +/- 1.56   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  18.33 +/- 1.07   0.000% *  0.0586% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  19.88 +/- 0.87   0.000% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  23.40 +/- 0.67   0.000% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  18.29 +/- 0.91   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  23.75 +/- 0.73   0.000% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  26.66 +/- 1.58   0.000% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  22.80 +/- 0.83   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  21.36 +/- 1.04   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1333 (1.56, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.1, residual support = 135.8:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.35 +/- 0.12  99.955% * 96.1045% (0.99  10.0 10.00   4.10 135.84) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  99  12.25 +/- 0.60   0.005% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  99  13.91 +/- 1.53   0.003% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+ 106  16.78 +/- 1.12   0.001% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 106  10.00 +/- 2.25   0.033% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+ 106  19.44 +/- 1.84   0.000% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+  99  23.23 +/- 0.63   0.000% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  16.15 +/- 0.89   0.001% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  19.51 +/- 2.24   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  19.49 +/- 0.99   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 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 = 3.24, residual support = 135.8:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.09 +/- 0.03  99.731% * 98.7514% (0.99  10.0 10.00   3.24 135.84) = 100.000%  kept
          HB2   PHE   97 - QD    LYS+ 106   5.99 +/- 0.50   0.222% *  0.0717% (0.72   1.0  1.00   0.02  10.43) =   0.000%
        T QE    LYS+ 106 - QD    LYS+  99  11.82 +/- 1.25   0.004% *  0.8022% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.93 +/- 0.55   0.037% *  0.0583% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+ 106  13.50 +/- 1.14   0.002% *  0.0934% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.27 +/- 1.55   0.001% *  0.0678% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  12.34 +/- 1.10   0.003% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  17.19 +/- 1.49   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  16.90 +/- 0.74   0.000% *  0.0551% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  18.29 +/- 1.61   0.000% *  0.0134% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1336 (5.63, 2.98, 42.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.07, residual support = 135.8:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.33 +/- 0.46 100.000% *100.0000% (1.00 10.00   5.07 135.84) = 100.000%  kept
    Distance limit 5.48 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 = 0.994, support = 5.28, residual support = 131.0:
    *   T QB    LYS+ 106 - QE    LYS+ 106   2.61 +/- 0.64  91.209% * 53.3343% (1.00 10.00   5.35 135.84) =  95.874%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   6.67 +/- 1.33   4.522% * 46.2637% (0.87 10.00   3.50  19.38) =   4.123%  kept
          HB    ILE  103 - QE    LYS+ 106   6.41 +/- 1.18   4.224% *  0.0427% (0.80  1.00   0.02   0.02) =   0.004%
          HB3   GLN   90 - QE    LYS+ 106  12.81 +/- 2.49   0.011% *  0.0523% (0.98  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+ 106  12.96 +/- 1.57   0.011% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  12.10 +/- 1.76   0.012% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+ 106  16.28 +/- 1.71   0.002% *  0.0532% (1.00  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+ 106  18.61 +/- 2.11   0.002% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QE    LYS+ 106  18.17 +/- 1.03   0.001% *  0.0505% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  18.88 +/- 1.20   0.002% *  0.0323% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  16.83 +/- 1.43   0.002% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  19.48 +/- 1.33   0.001% *  0.0445% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  18.08 +/- 1.16   0.002% *  0.0082% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.36, residual support = 135.8:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.63 +/- 0.35  99.884% * 98.2431% (1.00  10.0 10.00   4.36 135.84) = 100.000%  kept
        T QG    LYS+  81 - QE    LYS+ 106  16.53 +/- 1.71   0.002% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+ 106   9.65 +/- 2.01   0.111% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QE    LYS+ 106  19.80 +/- 1.73   0.001% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  16.07 +/- 1.37   0.002% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.24, residual support = 135.8:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.09 +/- 0.03  99.935% * 98.5861% (0.99  10.0 10.00   3.24 135.84) = 100.000%  kept
        T QD    LYS+  99 - QE    LYS+ 106  11.82 +/- 1.25   0.004% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    LYS+ 106  11.30 +/- 2.01   0.023% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  10.76 +/- 1.67   0.009% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 106  11.50 +/- 1.80   0.006% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    LYS+ 106  10.14 +/- 1.42   0.013% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 106  11.61 +/- 1.21   0.004% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  11.95 +/- 1.34   0.004% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  14.59 +/- 1.27   0.001% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  15.21 +/- 1.59   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 58.2:
    * O T HB    VAL  107 - HA    VAL  107   2.93 +/- 0.14  99.833% * 99.6302% (0.73  10.0 10.00   3.31  58.23) = 100.000%  kept
          QE    LYS+ 112 - HA    VAL  107  10.62 +/- 1.18   0.056% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    VAL  107   9.69 +/- 0.67   0.086% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    VAL  107  11.91 +/- 0.49   0.023% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    VAL  107  20.42 +/- 0.74   0.001% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  23.15 +/- 0.77   0.000% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  19.94 +/- 0.80   0.001% *  0.0272% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1344 (4.48, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 58.2:
    * O T HA    VAL  107 - HB    VAL  107   2.93 +/- 0.14  98.907% * 99.7511% (0.73  10.0 10.00   3.31  58.23) = 100.000%  kept
          HA    ALA  110 - HB    VAL  107   6.95 +/- 1.48   1.049% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB    VAL  107  12.79 +/- 1.42   0.020% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  13.18 +/- 0.82   0.013% *  0.0197% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  14.09 +/- 0.83   0.009% *  0.0222% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB    VAL  107  17.69 +/- 0.63   0.002% *  0.0799% (0.58   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 62.1:
    * O T HB    VAL  108 - HA    VAL  108   2.59 +/- 0.36  97.652% * 99.4465% (1.00  10.0 10.00   3.30  62.13) =  99.998%  kept
          HB2   PRO   93 - HA    VAL  108   5.57 +/- 1.07   2.331% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HA    VAL  108  12.75 +/- 1.08   0.011% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    VAL  108  14.57 +/- 1.19   0.005% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    VAL  108  19.81 +/- 0.70   0.001% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  22.65 +/- 0.49   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  21.76 +/- 0.83   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  21.96 +/- 1.61   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  36.19 +/- 1.47   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1348 (0.89, 4.56, 62.51 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 62.1:
    * O T QG1   VAL  108 - HA    VAL  108   2.61 +/- 0.03  99.978% * 99.8607% (1.00  10.0 10.00   3.97  62.13) = 100.000%  kept
          HB3   LEU   63 - HA    VAL  108  12.82 +/- 1.09   0.008% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  13.31 +/- 0.72   0.006% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  13.78 +/- 0.95   0.005% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  15.26 +/- 1.69   0.003% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1349 (1.03, 4.56, 62.51 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T QG2   VAL  108 - HA    VAL  108   2.72 +/- 0.48  99.876% * 99.7938% (1.00  10.0 10.00   3.30  62.13) = 100.000%  kept
          QD1   ILE  119 - HA    VAL  108   9.58 +/- 1.17   0.093% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL  108  13.72 +/- 0.33   0.009% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    VAL  108  11.91 +/- 0.95   0.022% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1350 (4.56, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T HA    VAL  108 - HB    VAL  108   2.59 +/- 0.36  98.746% * 99.8175% (1.00  10.0 10.00   3.30  62.13) = 100.000%  kept
          HA1   GLY  109 - HB    VAL  108   5.69 +/- 0.21   1.243% *  0.0308% (0.31   1.0  1.00   0.02   7.44) =   0.000%
          HA    ALA   47 - HB    VAL  108  13.41 +/- 1.42   0.006% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL  108  14.59 +/- 1.46   0.004% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL  108  18.39 +/- 1.77   0.001% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 62.1:
    * O T QG1   VAL  108 - HB    VAL  108   2.12 +/- 0.01  99.995% * 99.8607% (1.00  10.0 10.00   3.44  62.13) = 100.000%  kept
          HB3   LEU   63 - HB    VAL  108  14.02 +/- 1.16   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HB    VAL  108  13.26 +/- 0.67   0.002% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  14.92 +/- 0.99   0.001% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  15.85 +/- 1.77   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1353 (1.03, 2.05, 32.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 62.1:
    * O T QG2   VAL  108 - HB    VAL  108   2.14 +/- 0.00  99.989% * 99.1471% (1.00  10.0 10.00   3.00  62.13) = 100.000%  kept
        T QD1   ILE  119 - HB    VAL  108  10.92 +/- 1.19   0.007% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL  108  12.96 +/- 0.26   0.002% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  13.72 +/- 0.90   0.002% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1354 (4.56, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.993, support = 3.96, residual support = 61.6:
    * O T HA    VAL  108 - QG1   VAL  108   2.61 +/- 0.03  82.652% * 95.2091% (1.00  10.0 10.00   3.97  62.13) =  98.988%  kept
          HA1   GLY  109 - QG1   VAL  108   3.42 +/- 0.24  17.309% *  4.6462% (0.31   1.0  1.00   3.16   7.44) =   1.012%  kept
          HA    ALA   47 - QG1   VAL  108  10.70 +/- 1.20   0.022% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL  108  11.60 +/- 1.28   0.013% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL  108  14.56 +/- 1.46   0.003% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1355 (2.05, 0.89, 21.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T HB    VAL  108 - QG1   VAL  108   2.12 +/- 0.01  99.842% * 99.4465% (1.00  10.0 10.00   3.44  62.13) = 100.000%  kept
          HB2   PRO   93 - QG1   VAL  108   6.66 +/- 0.83   0.153% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG1   VAL  108  12.89 +/- 0.89   0.002% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG1   VAL  108  13.67 +/- 1.22   0.002% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  17.79 +/- 0.74   0.000% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  19.78 +/- 0.53   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  19.48 +/- 0.87   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  20.70 +/- 1.29   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  32.27 +/- 1.31   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 62.1:
    * O T QG2   VAL  108 - QG1   VAL  108   2.09 +/- 0.02  99.984% * 99.7938% (1.00  10.0 10.00   3.44  62.13) = 100.000%  kept
          QD1   ILE  119 - QG1   VAL  108  10.06 +/- 0.89   0.009% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL  108  12.64 +/- 0.21   0.002% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108  11.32 +/- 0.74   0.004% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1358 (4.56, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T HA    VAL  108 - QG2   VAL  108   2.72 +/- 0.48  95.193% * 99.8175% (1.00  10.0 10.00   3.30  62.13) =  99.998%  kept
          HA1   GLY  109 - QG2   VAL  108   5.05 +/- 0.42   4.771% *  0.0308% (0.31   1.0  1.00   0.02   7.44) =   0.002%
          HA    ALA   47 - QG2   VAL  108  11.52 +/- 1.36   0.020% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG2   VAL  108  12.52 +/- 1.35   0.012% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG2   VAL  108  15.72 +/- 1.25   0.004% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1359 (2.05, 1.03, 20.80 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 62.1:
    * O T HB    VAL  108 - QG2   VAL  108   2.14 +/- 0.00  99.863% * 98.6316% (1.00  10.0 10.00   3.00  62.13) = 100.000%  kept
          HB2   PRO   93 - QG2   VAL  108   6.86 +/- 0.80   0.130% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE  119 - QG2   VAL  108  11.57 +/- 0.94   0.005% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   VAL  108  14.53 +/- 1.08   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  16.34 +/- 1.04   0.001% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  17.63 +/- 0.60   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  18.14 +/- 1.16   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  18.88 +/- 1.30   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  30.67 +/- 1.78   0.000% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1360 (0.89, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T QG1   VAL  108 - QG2   VAL  108   2.09 +/- 0.02  99.986% * 99.8607% (1.00  10.0 10.00   3.44  62.13) = 100.000%  kept
          HB3   LEU   63 - QG2   VAL  108  11.63 +/- 0.97   0.004% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG2   VAL  108  10.77 +/- 0.77   0.006% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  12.50 +/- 1.32   0.003% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  13.07 +/- 1.68   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1361 (1.03, 1.03, 20.80 ppm):
    1 diagonal assignment:
    *     QG2   VAL  108 - QG2   VAL  108  (1.00)  kept
 
    Peak 1362 (4.58, 4.58, 43.34 ppm):
    1 diagonal assignment:
    *     HA1   GLY  109 - HA1   GLY  109  (1.00)  kept
 
    Peak 1363 (3.67, 4.58, 43.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.36:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  99.998% * 98.9563% (1.00  10.0 10.00   2.00   9.36) = 100.000%  kept
        T HB2   TRP   49 - HA1   GLY  109  15.26 +/- 1.46   0.000% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA1   GLY  109  12.87 +/- 0.78   0.001% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA1   GLY  109  14.01 +/- 0.98   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  14.93 +/- 0.51   0.000% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.36:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  99.617% * 97.8789% (1.00  10.0 10.00   2.00   9.36) = 100.000%  kept
          HA    VAL  108 - HA2   GLY  109   4.43 +/- 0.05   0.381% *  0.0302% (0.31   1.0  1.00   0.02   7.44) =   0.000%
        T HA    CYS   50 - HA2   GLY  109  12.25 +/- 1.86   0.001% *  0.9766% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HA    TRP   49 - HA2   GLY  109  15.86 +/- 2.07   0.000% *  0.9446% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HA2   GLY  109  12.65 +/- 1.39   0.001% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  21.05 +/- 0.62   0.000% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  23.62 +/- 0.91   0.000% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 +/- 0.02  99.991% * 98.4934% (1.00  10.0 10.00   1.31   9.59) = 100.000%  kept
        T QB    ALA   61 - HA    ALA  110  11.82 +/- 2.14   0.005% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  14.29 +/- 1.74   0.002% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  15.12 +/- 1.82   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  18.38 +/- 2.07   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  17.05 +/- 1.75   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  19.38 +/- 1.90   0.000% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  19.08 +/- 1.50   0.000% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  18.66 +/- 1.91   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  21.90 +/- 2.19   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  17.15 +/- 1.02   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  23.83 +/- 1.27   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 +/- 0.02  99.033% * 98.8162% (1.00  10.0 10.00   1.31   9.59) =  99.999%  kept
          HA    PHE   55 - QB    ALA  110   5.97 +/- 2.38   0.691% *  0.0857% (0.87   1.0  1.00   0.02   0.28) =   0.001%
        T HA    ALA  110 - QB    ALA   61  11.82 +/- 2.14   0.005% *  0.7312% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA  110   7.35 +/- 0.84   0.112% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA  110   7.49 +/- 1.32   0.131% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA  110  10.29 +/- 0.98   0.009% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QB    ALA   61  10.00 +/- 1.19   0.012% *  0.0634% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA   61  12.25 +/- 0.60   0.003% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  13.06 +/- 0.43   0.002% *  0.0226% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   61  16.40 +/- 1.52   0.001% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  14.48 +/- 1.05   0.001% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  15.78 +/- 0.68   0.001% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 315.7:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.61 +/- 0.20  94.242% * 98.9314% (1.00  10.0 10.00   7.98 315.72) =  99.997%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.42 +/- 0.49   5.742% *  0.0560% (0.57   1.0  1.00   0.02   2.45) =   0.003%
          HB    ILE  119 - HA    LYS+ 111  11.55 +/- 0.74   0.015% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    LYS+ 111  28.13 +/- 0.77   0.000% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  23.93 +/- 2.22   0.000% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  24.19 +/- 1.07   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  24.69 +/- 0.94   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  23.25 +/- 2.82   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  23.92 +/- 0.62   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  30.50 +/- 1.21   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  26.36 +/- 0.74   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  28.35 +/- 1.24   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1372 (1.33, 4.53, 54.74 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.7:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   3.46 +/- 0.46  99.205% * 99.2615% (1.00  10.0 10.00   7.31 315.72) = 100.000%  kept
          HB3   PRO   93 - HA    LYS+ 111   8.41 +/- 0.61   0.645% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+ 111  14.19 +/- 1.06   0.028% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 111  14.51 +/- 1.17   0.025% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+ 111  13.88 +/- 0.96   0.031% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+ 111  13.60 +/- 0.96   0.038% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  15.79 +/- 0.75   0.015% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  18.83 +/- 0.98   0.005% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+ 111  22.04 +/- 1.08   0.002% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  19.84 +/- 1.11   0.004% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  24.68 +/- 1.42   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  27.79 +/- 1.09   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  31.85 +/- 1.42   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.7:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.70 +/- 0.51  96.815% * 99.3524% (1.00  10.0 10.00   7.31 315.72) =  99.999%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   6.07 +/- 1.14   3.179% *  0.0373% (0.38   1.0  1.00   0.02  28.03) =   0.001%
        T HG2   LYS+  74 - HA    LYS+ 111  18.14 +/- 0.69   0.002% *  0.3729% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 111  16.07 +/- 0.90   0.003% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 111  23.42 +/- 2.52   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  24.81 +/- 2.69   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  24.46 +/- 1.43   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  25.03 +/- 0.91   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1374 (1.69, 4.53, 54.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.7:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.11 +/- 0.58  97.894% * 98.3525% (1.00 10.00   6.21 315.72) =  99.998%  kept
          HG3   PRO   93 - HA    LYS+ 111   7.29 +/- 0.99   1.520% *  0.0853% (0.87  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LYS+ 111   8.89 +/- 1.35   0.491% *  0.0964% (0.98  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 111  11.95 +/- 1.57   0.082% *  0.0714% (0.73  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 111  22.22 +/- 1.63   0.001% *  0.6756% (0.69 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 111  16.90 +/- 0.76   0.006% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  19.08 +/- 1.02   0.003% *  0.1518% (0.15 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 111  21.51 +/- 1.34   0.002% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LYS+ 111  21.29 +/- 1.43   0.002% *  0.0676% (0.69  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 111  28.29 +/- 1.54   0.000% *  0.3036% (0.31 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.41 +/- 0.86   0.001% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.7:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   3.84 +/- 0.63  99.591% * 98.5544% (1.00 10.00   6.21 315.72) = 100.000%  kept
          QB    ALA   57 - HA    LYS+ 111  10.77 +/- 1.00   0.310% *  0.0983% (1.00  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  19.08 +/- 1.02   0.009% *  0.2457% (0.25 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 111  13.87 +/- 0.83   0.057% *  0.0274% (0.28  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+ 111  17.75 +/- 1.20   0.016% *  0.0884% (0.90  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 111  18.32 +/- 0.99   0.012% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HA    LYS+ 111  28.07 +/- 1.10   0.001% *  0.8839% (0.90 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.41 +/- 0.86   0.004% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.7:
    *   T QE    LYS+ 111 - HA    LYS+ 111   2.78 +/- 0.54  99.989% * 99.8490% (1.00 10.00   5.62 315.72) = 100.000%  kept
          HB2   PHE   45 - HA    LYS+ 111  13.88 +/- 0.50   0.010% *  0.0945% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HA    LYS+ 111  24.62 +/- 0.85   0.000% *  0.0565% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 315.7:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.61 +/- 0.20  99.975% * 99.7221% (1.00  10.0 10.00   7.98 315.72) = 100.000%  kept
          HA    PRO   52 - HB2   LYS+ 111  11.27 +/- 1.33   0.024% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG3   GLN   30  28.13 +/- 0.77   0.000% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  27.01 +/- 0.72   0.000% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 315.7:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.72 +/- 0.17  99.584% * 98.9173% (1.00  10.0 10.00   7.31 315.72) = 100.000%  kept
          HB2   LEU   31 - HG3   GLN   30   7.37 +/- 0.17   0.265% *  0.0197% (0.20   1.0  1.00   0.02  51.23) =   0.000%
          HB3   PRO   93 - HB2   LYS+ 111   9.36 +/- 0.73   0.075% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+ 111  14.20 +/- 1.54   0.006% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+ 111  13.65 +/- 1.21   0.008% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+ 111  14.77 +/- 1.26   0.005% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  12.94 +/- 0.95   0.010% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  14.11 +/- 1.05   0.006% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  16.13 +/- 0.82   0.003% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  14.25 +/- 0.89   0.006% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  13.44 +/- 1.63   0.009% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  17.92 +/- 1.16   0.001% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  14.62 +/- 0.71   0.005% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  18.84 +/- 1.73   0.001% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   GLN   30  16.40 +/- 1.36   0.002% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  22.39 +/- 1.07   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  14.72 +/- 0.63   0.004% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  23.40 +/- 2.09   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  17.76 +/- 1.00   0.001% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  28.19 +/- 1.82   0.000% *  0.1988% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  14.43 +/- 0.74   0.005% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  27.23 +/- 1.76   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  18.49 +/- 0.53   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  30.79 +/- 2.08   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  23.21 +/- 1.92   0.000% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  20.90 +/- 0.82   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 315.7:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.92 +/- 0.21  97.510% * 98.4912% (1.00  10.0 10.00   7.29 315.72) =  99.999%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   7.34 +/- 1.20   0.926% *  0.0370% (0.38   1.0  1.00   0.02  28.03) =   0.000%
          HG    LEU   71 - HG3   GLN   30   8.50 +/- 2.70   0.909% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   GLN   30   8.66 +/- 2.01   0.303% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG3   GLN   30   7.75 +/- 0.62   0.322% *  0.0039% (0.04   1.0  1.00   0.02   9.84) =   0.000%
        T HG2   LYS+  74 - HG3   GLN   30  12.74 +/- 0.64   0.016% *  0.0743% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HB2   LYS+ 111  18.82 +/- 0.65   0.001% *  0.3696% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 111  16.02 +/- 1.11   0.004% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HB2   LYS+ 111  24.36 +/- 3.02   0.001% *  0.4049% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HB2   LYS+ 111  25.14 +/- 1.10   0.000% *  0.1949% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  17.58 +/- 0.72   0.002% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  22.98 +/- 2.84   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  28.17 +/- 1.38   0.000% *  0.1980% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  16.98 +/- 1.31   0.003% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  23.15 +/- 2.07   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  30.22 +/- 1.82   0.000% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 315.7:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.65 +/- 0.56  98.946% * 97.6852% (1.00  10.0 10.00   6.62 315.72) = 100.000%  kept
          HG3   PRO   93 - HB2   LYS+ 111   8.68 +/- 1.18   0.216% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   GLN   30   7.02 +/- 0.92   0.627% *  0.0176% (0.18   1.0  1.00   0.02   4.25) =   0.000%
          HB3   MET   92 - HB2   LYS+ 111   9.99 +/- 1.45   0.084% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB2   LYS+ 111  10.63 +/- 2.03   0.092% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB2   LYS+ 111  20.86 +/- 2.06   0.001% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+ 111  15.87 +/- 1.11   0.004% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   GLN   30  14.92 +/- 0.74   0.005% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   GLN   30  18.21 +/- 1.43   0.002% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.48 +/- 1.25   0.001% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG3   GLN   30  23.07 +/- 0.75   0.000% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  20.05 +/- 2.06   0.001% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  21.53 +/- 1.50   0.001% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  13.40 +/- 0.95   0.013% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  18.14 +/- 1.56   0.002% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+ 111  27.23 +/- 2.09   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   GLN   30  16.38 +/- 1.02   0.003% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  18.80 +/- 1.56   0.001% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  29.57 +/- 1.16   0.000% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.57 +/- 1.20   0.001% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  23.11 +/- 0.91   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  26.34 +/- 2.11   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.99, support = 6.54, residual support = 311.8:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   3.10 +/- 0.49  84.384% * 92.1301% (1.00  10.0 10.00   6.62 315.72) =  98.772%  kept
        T QD    LYS+  33 - HG3   GLN   30   5.52 +/- 1.34  15.522% *  6.2279% (0.18   1.0 10.00   0.75   0.17) =   1.228%  kept
          QB    ALA   57 - HB2   LYS+ 111  12.04 +/- 0.63   0.026% *  0.0919% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  12.40 +/- 1.37   0.023% *  0.0256% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+ 111  16.78 +/- 1.37   0.004% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.48 +/- 1.25   0.001% *  0.2297% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   GLN   30  12.85 +/- 0.44   0.017% *  0.0155% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LYS+ 111  27.74 +/- 1.68   0.000% *  0.8263% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   LYS+ 111  19.01 +/- 0.88   0.002% *  0.0770% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  18.14 +/- 1.56   0.003% *  0.0462% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  13.40 +/- 0.95   0.015% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  18.92 +/- 1.03   0.002% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  29.82 +/- 1.33   0.000% *  0.1852% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.57 +/- 1.20   0.001% *  0.0182% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  26.93 +/- 2.20   0.000% *  0.0166% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  23.43 +/- 1.32   0.000% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 315.7:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.30 +/- 0.77  89.892% * 99.6189% (1.00 10.00   6.06 315.72) =  99.999%  kept
          HB2   CYS   21 - HG3   GLN   30   5.33 +/- 0.58  10.074% *  0.0113% (0.11  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HB2   LYS+ 111  14.27 +/- 0.85   0.022% *  0.0942% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  16.09 +/- 0.64   0.010% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG3   GLN   30  26.83 +/- 0.94   0.000% *  0.2002% (0.20 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB2   LYS+ 111  24.76 +/- 0.96   0.001% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1384 (4.53, 1.33, 24.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.7:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   3.46 +/- 0.46  99.905% * 99.9354% (1.00  10.0 10.00   7.31 315.72) = 100.000%  kept
          HA    PRO   52 - HG2   LYS+ 111  11.37 +/- 1.46   0.095% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 0.997, support = 7.27, residual support = 313.8:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.72 +/- 0.17  77.160% * 96.9494% (1.00  10.0 10.00   7.31 315.72) =  99.376%  kept
          QB    GLU- 114 - HG2   LYS+ 111   3.73 +/- 0.99  22.830% *  2.0583% (0.57   1.0  1.00   0.75   2.45) =   0.624%  kept
          HB    ILE  119 - HG2   LYS+ 111  12.49 +/- 1.20   0.009% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   LYS+ 111  28.19 +/- 1.82   0.000% *  0.4719% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  24.78 +/- 2.63   0.000% *  0.0841% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  25.39 +/- 1.57   0.000% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  25.55 +/- 1.12   0.000% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  24.01 +/- 3.28   0.000% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  24.50 +/- 1.55   0.000% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  30.39 +/- 1.59   0.000% *  0.0869% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  26.24 +/- 1.96   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  27.32 +/- 2.41   0.000% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 315.7:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  99.987% * 98.1828% (1.00  10.0 10.00   6.98 315.72) = 100.000%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111   8.79 +/- 1.45   0.013% *  0.0368% (0.38   1.0  1.00   0.02  28.03) =   0.000%
        T HG12  ILE   89 - HG2   LYS+ 111  15.23 +/- 1.74   0.000% *  0.9731% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+ 111  19.12 +/- 1.10   0.000% *  0.3685% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  23.63 +/- 2.49   0.000% *  0.3349% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  23.54 +/- 2.87   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  24.97 +/- 2.96   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  25.75 +/- 1.39   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1388 (1.69, 1.33, 24.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.7:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.88 +/- 0.22  99.504% * 97.1375% (1.00  10.0 10.00   6.21 315.72) =  99.999%  kept
        T QD    LYS+ 106 - HG2   LYS+ 111  10.33 +/- 2.53   0.129% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HG2   LYS+ 111   9.48 +/- 1.90   0.171% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 111   8.89 +/- 1.23   0.190% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+ 111  20.61 +/- 2.64   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+ 111  20.55 +/- 2.39   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  17.41 +/- 1.37   0.002% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  20.72 +/- 1.22   0.001% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 111  21.78 +/- 1.71   0.001% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+ 111  27.55 +/- 2.43   0.000% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  21.98 +/- 1.34   0.001% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.7:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.44 +/- 0.21  99.986% * 97.8296% (1.00  10.0 10.00   6.21 315.72) = 100.000%  kept
          QB    ALA   57 - HG2   LYS+ 111  12.79 +/- 0.85   0.006% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+ 111  19.40 +/- 1.19   0.001% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  13.48 +/- 1.56   0.006% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  20.72 +/- 1.22   0.000% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+ 111  18.34 +/- 1.54   0.001% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+ 111  28.03 +/- 2.04   0.000% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  21.98 +/- 1.34   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1390 (3.06, 1.33, 24.92 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.7:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   2.78 +/- 0.39  99.991% * 99.8490% (1.00  10.0 10.00   5.62 315.72) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+ 111  13.99 +/- 1.17   0.009% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+ 111  24.79 +/- 1.57   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1391 (4.53, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.7:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.70 +/- 0.51  99.940% * 99.8218% (1.00  10.0 10.00   7.31 315.72) = 100.000%  kept
          HA    PRO   52 - HG3   LYS+ 111  10.45 +/- 1.28   0.051% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG2   LYS+  74  18.14 +/- 0.69   0.002% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG2   LYS+  74  14.91 +/- 0.69   0.007% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 315.7:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.92 +/- 0.21  85.523% * 98.2440% (1.00  10.0 10.00   7.29 315.72) =  99.990%  kept
          QB    GLU- 114 - HG3   LYS+ 111   4.18 +/- 0.68  14.120% *  0.0556% (0.57   1.0  1.00   0.02   2.45) =   0.009%
        T HB    ILE   19 - HG2   LYS+  74   8.34 +/- 0.67   0.208% *  0.0511% (0.05   1.0 10.00   0.02   8.69) =   0.000%
        T HG3   GLN   30 - HG2   LYS+  74  12.74 +/- 0.64   0.015% *  0.0511% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  10.12 +/- 0.92   0.068% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  12.49 +/- 1.26   0.018% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG3   LYS+ 111  24.35 +/- 1.18   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   LYS+  74  18.82 +/- 0.65   0.001% *  0.1050% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  14.02 +/- 1.19   0.009% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   LYS+ 111  28.17 +/- 1.38   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  15.16 +/- 0.97   0.005% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  12.14 +/- 0.59   0.019% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  24.78 +/- 2.31   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  17.49 +/- 1.99   0.003% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  25.20 +/- 1.07   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  25.32 +/- 1.19   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  16.30 +/- 1.44   0.004% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  24.04 +/- 2.99   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  17.94 +/- 1.50   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  30.29 +/- 1.39   0.000% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  16.96 +/- 1.43   0.003% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  26.28 +/- 1.43   0.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  27.78 +/- 1.74   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  22.36 +/- 1.04   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1393 (1.33, 1.22, 24.92 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 315.7:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  99.680% * 98.9181% (1.00  10.0 10.00   6.98 315.72) = 100.000%  kept
          HB3   ASP-  44 - HG2   LYS+  74   5.23 +/- 0.87   0.262% *  0.0077% (0.08   1.0  1.00   0.02   3.76) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 111   9.11 +/- 0.96   0.006% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   6.90 +/- 0.84   0.036% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  12.75 +/- 1.55   0.001% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74   9.97 +/- 0.99   0.004% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74  10.66 +/- 1.08   0.003% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  14.93 +/- 1.52   0.000% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  15.12 +/- 1.35   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  10.02 +/- 0.63   0.003% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74  10.08 +/- 0.71   0.003% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  15.29 +/- 1.13   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  13.55 +/- 1.03   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  19.12 +/- 1.10   0.000% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  20.21 +/- 1.26   0.000% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  19.32 +/- 1.40   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  19.23 +/- 1.59   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  21.73 +/- 1.48   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  16.16 +/- 0.70   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  23.26 +/- 0.91   0.000% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  14.45 +/- 0.61   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  14.64 +/- 1.15   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  24.28 +/- 1.88   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  27.31 +/- 1.72   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  31.53 +/- 1.88   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  20.96 +/- 1.38   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1394 (1.22, 1.22, 24.92 ppm):
    2 diagonal assignments:
    *     HG3   LYS+ 111 - HG3   LYS+ 111  (1.00)  kept
          HG2   LYS+  74 - HG2   LYS+  74  (0.04)  kept
 
    Peak 1395 (1.69, 1.22, 24.92 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.7:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.68 +/- 0.20  99.067% * 96.7411% (1.00  10.0 10.00   5.40 315.72) =  99.999%  kept
        T QD    LYS+ 106 - HG3   LYS+ 111  10.91 +/- 2.05   0.068% *  0.7025% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HG3   LYS+ 111   8.17 +/- 1.19   0.206% *  0.0839% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 111   8.98 +/- 2.07   0.179% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  74   6.90 +/- 0.46   0.409% *  0.0093% (0.10   1.0  1.00   0.02  38.85) =   0.000%
        T QD    LYS+  99 - HG3   LYS+ 111  20.97 +/- 1.87   0.001% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+ 111  21.19 +/- 2.06   0.001% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  12.95 +/- 1.79   0.015% *  0.0160% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  74  15.36 +/- 0.84   0.003% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  12.58 +/- 1.71   0.013% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  11.88 +/- 0.81   0.015% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  17.59 +/- 1.36   0.001% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.37 +/- 1.16   0.001% *  0.1493% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  18.77 +/- 1.05   0.001% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  74  20.21 +/- 0.96   0.001% *  0.1034% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+ 111  21.69 +/- 1.54   0.000% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.76 +/- 1.01   0.017% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  20.98 +/- 0.94   0.000% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  27.97 +/- 1.85   0.000% *  0.2986% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.86 +/- 0.94   0.000% *  0.0319% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.89 +/- 1.33   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  21.52 +/- 1.71   0.001% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1396 (1.64, 1.22, 24.92 ppm):
    16 chemical-shift based assignments, quality = 0.934, support = 5.41, residual support = 306.4:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.80 +/- 0.24  53.283% * 89.7666% (1.00  10.0 10.00   5.40 315.72) =  92.759%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.87 +/- 0.19  46.595% *  8.0133% (0.09  10.0 10.00   5.54 186.82) =   7.241%  kept
          QB    ALA   57 - HG3   LYS+ 111  12.16 +/- 1.01   0.010% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  74   8.99 +/- 1.17   0.082% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  19.01 +/- 1.11   0.001% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  12.95 +/- 1.79   0.009% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  15.58 +/- 0.79   0.002% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  13.92 +/- 1.25   0.004% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.37 +/- 1.16   0.000% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  18.50 +/- 1.66   0.001% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  28.10 +/- 1.57   0.000% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  20.62 +/- 0.95   0.000% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.76 +/- 1.01   0.011% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.89 +/- 1.33   0.000% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  22.20 +/- 1.93   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.94 +/- 1.51   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1397 (3.06, 1.22, 24.92 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.7:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.46 +/- 0.59  99.499% * 99.7265% (1.00  10.0 10.00   5.44 315.72) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+  74   7.47 +/- 0.74   0.387% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   LYS+ 111  13.77 +/- 0.96   0.008% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+  74   8.64 +/- 0.76   0.104% *  0.0060% (0.06   1.0  1.00   0.02   9.08) =   0.000%
        T QE    LYS+ 111 - HG2   LYS+  74  18.14 +/- 0.92   0.002% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  24.66 +/- 1.33   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1398 (4.53, 1.69, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.7:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   3.11 +/- 0.58  99.888% * 99.4172% (1.00 10.00   6.21 315.72) = 100.000%  kept
          HA    PRO   52 - HD2   LYS+ 111  11.44 +/- 1.73   0.104% *  0.0643% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  19.08 +/- 1.02   0.003% *  0.1523% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+ 102  22.22 +/- 1.63   0.001% *  0.2599% (0.26 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  18.64 +/- 1.11   0.003% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  38  28.29 +/- 1.54   0.000% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  26.55 +/- 1.25   0.000% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  31.35 +/- 1.04   0.000% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 6.62, residual support = 315.7:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.65 +/- 0.56  74.233% * 97.9440% (1.00  10.0 10.00   6.62 315.72) =  99.992%  kept
          QB    GLU- 114 - HD2   LYS+ 111   4.37 +/- 0.89  10.124% *  0.0555% (0.57   1.0  1.00   0.02   2.45) =   0.008%
          HB3   GLU- 100 - QD    LYS+  38   4.10 +/- 1.19  13.373% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  65   7.49 +/- 2.09   0.623% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   8.18 +/- 2.16   0.496% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+ 102   7.99 +/- 1.97   0.663% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   8.66 +/- 2.11   0.340% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   9.21 +/- 0.98   0.075% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  12.84 +/- 0.85   0.008% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+ 102  18.21 +/- 1.43   0.001% *  0.1246% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+ 102  20.86 +/- 2.06   0.000% *  0.2561% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  14.92 +/- 0.74   0.003% *  0.0359% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.48 +/- 1.25   0.001% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  18.14 +/- 1.56   0.001% *  0.0730% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.57 +/- 1.51   0.009% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  13.46 +/- 1.50   0.008% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.02 +/- 1.23   0.013% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  16.40 +/- 1.50   0.002% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   LYS+ 111  29.57 +/- 1.16   0.000% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  16.21 +/- 1.78   0.004% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  19.09 +/- 1.05   0.001% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.68 +/- 1.44   0.002% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  15.90 +/- 2.03   0.005% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  16.03 +/- 1.28   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  20.80 +/- 2.00   0.001% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  26.35 +/- 0.98   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  19.20 +/- 1.22   0.001% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  25.42 +/- 2.58   0.000% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  26.19 +/- 1.14   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  13.67 +/- 0.63   0.006% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  20.06 +/- 2.54   0.001% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  21.81 +/- 1.44   0.000% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  16.45 +/- 0.73   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  25.69 +/- 1.07   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  27.23 +/- 2.09   0.000% *  0.0737% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  24.06 +/- 0.98   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  24.67 +/- 3.08   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  17.82 +/- 1.57   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  19.53 +/- 1.53   0.001% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  31.82 +/- 1.88   0.000% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  20.61 +/- 1.17   0.001% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  24.20 +/- 1.59   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  21.56 +/- 0.87   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  28.67 +/- 2.01   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  27.67 +/- 1.29   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.28 +/- 0.95   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  22.03 +/- 1.38   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  21.95 +/- 1.98   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.876, support = 6.15, residual support = 302.8:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.88 +/- 0.22  28.151% * 90.8110% (1.00  10.0 10.00   6.21 315.72) =  86.753%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.45 +/- 0.16  71.321% *  5.4729% (0.06  10.0 10.00   5.75 218.18) =  13.246%  kept
        T HG2   LYS+  99 - QD    LYS+  38   6.78 +/- 1.18   0.245% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - QD    LYS+ 102   8.80 +/- 1.51   0.062% *  0.2129% (0.23   1.0 10.00   0.02   1.48) =   0.000%
        T HB3   PRO   93 - HD2   LYS+ 111  10.60 +/- 1.17   0.019% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+ 102  12.42 +/- 2.22   0.007% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   8.39 +/- 1.25   0.092% *  0.0106% (0.12   1.0  1.00   0.02   1.85) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.42 +/- 0.48   0.051% *  0.0116% (0.13   1.0  1.00   0.02   1.46) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  13.92 +/- 1.51   0.003% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 102  12.93 +/- 1.51   0.004% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.08 +/- 1.33   0.001% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+ 102  20.61 +/- 2.64   0.000% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.35 +/- 1.42   0.001% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.08 +/- 2.01   0.000% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.53 +/- 1.70   0.007% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  13.71 +/- 1.95   0.005% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.95 +/- 0.88   0.000% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.55 +/- 0.70   0.004% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.07 +/- 0.78   0.005% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.72 +/- 1.22   0.000% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  16.63 +/- 1.24   0.001% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.88 +/- 1.21   0.002% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.14 +/- 1.12   0.006% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  22.41 +/- 1.62   0.000% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.34 +/- 1.10   0.000% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.37 +/- 1.78   0.000% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  32.47 +/- 2.08   0.000% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  17.78 +/- 0.97   0.001% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  23.34 +/- 1.53   0.000% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  16.44 +/- 1.54   0.001% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  17.59 +/- 1.42   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  18.73 +/- 0.88   0.000% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  19.52 +/- 1.69   0.000% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.29 +/- 0.85   0.001% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  16.53 +/- 1.82   0.001% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.66 +/- 1.77   0.000% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.55 +/- 2.43   0.000% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.61 +/- 0.93   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  17.55 +/- 1.24   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.44 +/- 1.44   0.000% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.91 +/- 1.41   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.19 +/- 0.79   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.47 +/- 1.20   0.000% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  19.45 +/- 1.22   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  19.17 +/- 0.98   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.84 +/- 0.59   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  21.32 +/- 0.74   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  22.68 +/- 0.89   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  20.60 +/- 1.04   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  20.88 +/- 0.77   0.000% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  21.09 +/- 0.59   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  24.90 +/- 1.16   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1401 (1.22, 1.69, 29.56 ppm):
    32 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.7:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.68 +/- 0.20  98.287% * 98.1177% (1.00  10.0 10.00   5.40 315.72) =  99.999%  kept
          HD2   LYS+ 112 - HD2   LYS+ 111   7.86 +/- 1.74   0.855% *  0.0368% (0.38   1.0  1.00   0.02  28.03) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  38   7.12 +/- 1.28   0.581% *  0.0252% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 102   8.89 +/- 1.26   0.151% *  0.0875% (0.09   1.0 10.00   0.02   1.48) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.95 +/- 1.79   0.015% *  0.0564% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.21 +/- 0.96   0.001% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+ 111  16.80 +/- 1.27   0.002% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 102  21.19 +/- 2.06   0.001% *  0.2565% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.56 +/- 1.69   0.031% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.37 +/- 1.16   0.001% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  16.11 +/- 1.88   0.003% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.82 +/- 2.01   0.000% *  0.3347% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.24 +/- 1.10   0.022% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  11.80 +/- 1.16   0.018% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.35 +/- 1.07   0.009% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.81 +/- 1.49   0.009% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 102  20.98 +/- 0.94   0.000% *  0.0963% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.98 +/- 1.06   0.001% *  0.0513% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  15.45 +/- 1.40   0.003% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  15.83 +/- 1.32   0.003% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  24.78 +/- 2.62   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  17.28 +/- 1.84   0.002% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.86 +/- 0.94   0.000% *  0.0277% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.15 +/- 2.83   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  27.97 +/- 1.85   0.000% *  0.0738% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  21.70 +/- 0.78   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  20.31 +/- 1.49   0.001% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.56 +/- 1.10   0.002% *  0.0015% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  22.40 +/- 0.81   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  26.85 +/- 1.07   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  25.65 +/- 1.53   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  30.31 +/- 1.82   0.000% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1402 (1.69, 1.69, 29.56 ppm):
    4 diagonal assignments:
    *     HD2   LYS+ 111 - HD2   LYS+ 111  (1.00)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.02)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.02)  kept
 
    Peak 1403 (1.64, 1.69, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD3   LYS+ 111 - HD2   LYS+ 111
 
    Peak 1404 (3.06, 1.69, 29.56 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.7:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.32 +/- 0.14  99.995% * 99.2899% (1.00  10.0 10.00   4.97 315.72) = 100.000%  kept
          HB2   PHE   45 - HD2   LYS+ 111  15.38 +/- 0.97   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+ 102  20.36 +/- 2.24   0.000% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.07 +/- 0.83   0.000% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  17.89 +/- 1.31   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  17.21 +/- 0.70   0.001% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  18.68 +/- 1.24   0.000% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  17.51 +/- 1.83   0.001% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  26.42 +/- 1.70   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  26.16 +/- 1.16   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  18.01 +/- 0.74   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  22.22 +/- 0.68   0.000% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.7:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   3.84 +/- 0.63  99.739% * 98.7339% (1.00 10.00   6.21 315.72) = 100.000%  kept
          HA    PRO   52 - HD3   LYS+ 111  11.96 +/- 1.58   0.241% *  0.0639% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  19.08 +/- 1.02   0.009% *  0.2444% (0.25 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  33  28.07 +/- 1.10   0.001% *  0.8848% (0.90 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  18.64 +/- 1.11   0.010% *  0.0158% (0.16  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  33  28.06 +/- 0.71   0.001% *  0.0572% (0.58  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1406 (2.02, 1.64, 29.56 ppm):
    36 chemical-shift based assignments, quality = 0.999, support = 6.61, residual support = 315.4:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   3.10 +/- 0.49  68.529% * 96.6565% (1.00  10.0 10.00   6.62 315.72) =  99.907%  kept
        T HG3   GLN   30 - QD    LYS+  33   5.52 +/- 1.34  12.699% *  0.4216% (0.44   1.0 10.00   0.02   0.17) =   0.081%
          QB    GLU- 114 - HD3   LYS+ 111   4.54 +/- 1.05  12.340% *  0.0547% (0.57   1.0  1.00   0.02   2.45) =   0.010%
          HB2   GLN   17 - QD    LYS+  65   7.49 +/- 2.09   2.335% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - QD    LYS+  33   6.15 +/- 0.77   1.958% *  0.0193% (0.20   1.0  1.00   0.02   0.17) =   0.001%
          QB    GLU-  15 - QD    LYS+  33   8.74 +/- 1.83   0.316% *  0.0858% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   8.18 +/- 2.16   0.812% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  33   8.65 +/- 0.94   0.173% *  0.0422% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   8.66 +/- 2.11   0.560% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   9.21 +/- 0.98   0.145% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  33  12.90 +/- 1.88   0.022% *  0.0777% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  33  13.47 +/- 1.44   0.012% *  0.0858% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  33  15.25 +/- 2.66   0.008% *  0.0751% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  33  12.34 +/- 1.03   0.020% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.48 +/- 1.25   0.001% *  0.2393% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.57 +/- 1.51   0.021% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  18.14 +/- 1.56   0.002% *  0.1165% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  13.50 +/- 1.02   0.010% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  33  15.85 +/- 2.16   0.006% *  0.0356% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.02 +/- 1.23   0.024% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  33  27.74 +/- 1.68   0.000% *  0.8662% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.68 +/- 1.44   0.003% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   LYS+ 111  29.82 +/- 1.33   0.000% *  0.4705% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  23.10 +/- 1.52   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  26.06 +/- 2.70   0.000% *  0.0838% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  26.69 +/- 1.27   0.000% *  0.0958% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  26.98 +/- 0.93   0.000% *  0.0958% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  17.82 +/- 1.57   0.002% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  25.29 +/- 3.31   0.000% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  26.10 +/- 1.23   0.000% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  22.80 +/- 2.09   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  24.20 +/- 1.59   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  31.92 +/- 1.71   0.000% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.28 +/- 0.95   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  28.72 +/- 2.14   0.000% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  27.88 +/- 1.47   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1407 (1.33, 1.64, 29.56 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.7:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.44 +/- 0.21  99.718% * 96.9774% (1.00  10.0 10.00   6.21 315.72) = 100.000%  kept
          HB2   LEU   31 - QD    LYS+  33   8.25 +/- 0.86   0.093% *  0.0861% (0.89   1.0  1.00   0.02   0.56) =   0.000%
          HG2   LYS+  38 - QD    LYS+  33   9.72 +/- 0.67   0.032% *  0.0696% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.42 +/- 0.48   0.082% *  0.0201% (0.21   1.0  1.00   0.02   1.46) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  11.00 +/- 1.04   0.022% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+  33  13.27 +/- 1.38   0.005% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  13.55 +/- 1.37   0.006% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.43 +/- 1.23   0.005% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.55 +/- 0.70   0.006% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.53 +/- 1.70   0.008% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  16.71 +/- 1.52   0.001% *  0.0810% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.95 +/- 0.88   0.001% *  0.2153% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD3   LYS+ 111  16.75 +/- 1.54   0.002% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  16.66 +/- 1.22   0.001% *  0.0802% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  16.01 +/- 1.17   0.002% *  0.0631% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.72 +/- 1.22   0.000% *  0.2401% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  17.59 +/- 1.54   0.001% *  0.0726% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  33  28.03 +/- 2.04   0.000% *  0.8690% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  16.53 +/- 1.22   0.001% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  22.41 +/- 1.62   0.000% *  0.1922% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  14.96 +/- 1.24   0.003% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  17.16 +/- 0.76   0.001% *  0.0296% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  19.80 +/- 1.30   0.000% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  33  19.88 +/- 2.19   0.000% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  20.39 +/- 1.88   0.000% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.29 +/- 0.85   0.002% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  19.72 +/- 0.73   0.000% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  23.37 +/- 1.52   0.000% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  16.91 +/- 0.78   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  25.22 +/- 2.24   0.000% *  0.0870% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.61 +/- 0.93   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.44 +/- 1.44   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  22.23 +/- 0.93   0.000% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.91 +/- 1.41   0.000% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.19 +/- 0.79   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  28.70 +/- 1.85   0.000% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  19.17 +/- 0.98   0.001% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  21.32 +/- 0.74   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  32.59 +/- 2.23   0.000% *  0.0777% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.7:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.80 +/- 0.24  95.195% * 97.4498% (1.00  10.0 10.00   5.40 315.72) =  99.998%  kept
          HG    LEU   71 - QD    LYS+  33   7.03 +/- 3.13   3.450% *  0.0359% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - QD    LYS+  33   7.91 +/- 2.54   0.722% *  0.0392% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HD3   LYS+ 111   8.80 +/- 1.53   0.339% *  0.0366% (0.38   1.0  1.00   0.02  28.03) =   0.000%
          HG13  ILE   19 - QD    LYS+  33   8.67 +/- 1.37   0.190% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.95 +/- 1.79   0.019% *  0.0905% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  33  15.58 +/- 0.79   0.004% *  0.3277% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD    LYS+  33  13.82 +/- 1.37   0.009% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 111  16.63 +/- 1.40   0.003% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD3   LYS+ 111  20.62 +/- 0.95   0.001% *  0.3657% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.56 +/- 1.69   0.039% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.37 +/- 1.16   0.001% *  0.2412% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.35 +/- 1.07   0.011% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.81 +/- 1.49   0.012% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.98 +/- 1.06   0.001% *  0.0823% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  33  28.10 +/- 1.57   0.000% *  0.8733% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  19.86 +/- 0.85   0.001% *  0.0866% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  17.28 +/- 1.84   0.003% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  25.12 +/- 2.77   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  21.70 +/- 0.78   0.001% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  26.50 +/- 2.92   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  24.96 +/- 2.25   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  29.64 +/- 2.02   0.000% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  27.32 +/- 1.08   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1409 (1.69, 1.64, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD2   LYS+ 111 - HD3   LYS+ 111
 
    Peak 1410 (1.64, 1.64, 29.56 ppm):
    3 diagonal assignments:
    *     HD3   LYS+ 111 - HD3   LYS+ 111  (1.00)  kept
          QD    LYS+  33 - QD    LYS+  33  (0.80)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.06)  kept
 
    Peak 1411 (3.06, 1.64, 29.56 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.7:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.46 +/- 0.14  99.964% * 98.5534% (1.00  10.0 10.00   4.97 315.72) = 100.000%  kept
          HB2   CYS   21 - QD    LYS+  33   9.93 +/- 1.00   0.031% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HD3   LYS+ 111  15.51 +/- 1.00   0.002% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.07 +/- 0.83   0.000% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  33  26.62 +/- 1.20   0.000% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  33  18.55 +/- 0.69   0.001% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  17.21 +/- 0.70   0.001% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  17.51 +/- 1.83   0.001% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  26.38 +/- 1.11   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1412 (4.53, 3.06, 42.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.7:
    *   T HA    LYS+ 111 - QE    LYS+ 111   2.78 +/- 0.54  99.766% * 99.9354% (1.00 10.00   5.62 315.72) = 100.000%  kept
          HA    PRO   52 - QE    LYS+ 111   9.44 +/- 1.95   0.234% *  0.0646% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 315.7:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.30 +/- 0.77  84.053% * 98.9314% (1.00 10.00   6.06 315.72) =  99.989%  kept
          QB    GLU- 114 - QE    LYS+ 111   4.77 +/- 0.95  15.892% *  0.0560% (0.57  1.00   0.02   2.45) =   0.011%
          HB    ILE  119 - QE    LYS+ 111  12.22 +/- 0.94   0.047% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QE    LYS+ 111  26.83 +/- 0.94   0.000% *  0.4816% (0.49 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QE    LYS+ 111  23.38 +/- 2.03   0.001% *  0.0858% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  23.81 +/- 0.89   0.001% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  23.90 +/- 0.87   0.001% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  22.74 +/- 2.57   0.002% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  23.33 +/- 0.81   0.001% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  28.62 +/- 1.47   0.000% *  0.0887% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  25.19 +/- 0.99   0.001% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  26.49 +/- 1.65   0.000% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.7:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   2.78 +/- 0.39  99.865% * 99.2615% (1.00  10.0 10.00   5.62 315.72) = 100.000%  kept
          HB3   PRO   93 - QE    LYS+ 111   9.46 +/- 0.90   0.081% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QE    LYS+ 111  12.52 +/- 1.31   0.020% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QE    LYS+ 111  14.87 +/- 1.07   0.006% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QE    LYS+ 111  14.95 +/- 1.21   0.006% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 111  14.81 +/- 1.08   0.006% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QE    LYS+ 111  13.16 +/- 1.21   0.012% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  18.03 +/- 1.15   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QE    LYS+ 111  20.92 +/- 1.38   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  18.95 +/- 1.32   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  23.32 +/- 1.68   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  26.16 +/- 1.36   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  29.81 +/- 1.69   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.7:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.46 +/- 0.59  98.670% * 99.3524% (1.00  10.0 10.00   5.44 315.72) =  99.999%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   6.84 +/- 1.28   1.324% *  0.0373% (0.38   1.0  1.00   0.02  28.03) =   0.001%
        T HG2   LYS+  74 - QE    LYS+ 111  18.14 +/- 0.92   0.002% *  0.3729% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+ 111  15.17 +/- 1.28   0.004% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QE    LYS+ 111  22.75 +/- 2.16   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  23.09 +/- 1.68   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  24.01 +/- 2.26   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  24.39 +/- 0.87   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.7:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.32 +/- 0.14  99.811% * 98.3525% (1.00  10.0 10.00   4.97 315.72) = 100.000%  kept
          HG3   PRO   93 - QE    LYS+ 111   8.35 +/- 1.21   0.093% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 111   9.02 +/- 1.55   0.066% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QE    LYS+ 111  11.18 +/- 2.00   0.028% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+ 111  20.36 +/- 2.24   0.000% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  16.61 +/- 1.35   0.001% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.07 +/- 0.83   0.000% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  20.12 +/- 1.72   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  21.03 +/- 1.26   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  26.42 +/- 1.70   0.000% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  21.11 +/- 1.25   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1417 (1.64, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.7:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.46 +/- 0.14  99.980% * 98.5544% (1.00  10.0 10.00   4.97 315.72) = 100.000%  kept
          QB    ALA   57 - QE    LYS+ 111  11.43 +/- 1.07   0.013% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  13.68 +/- 1.46   0.005% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.07 +/- 0.83   0.000% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+ 111  17.39 +/- 1.37   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+ 111  26.62 +/- 1.20   0.000% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+ 111  18.38 +/- 0.91   0.001% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  21.11 +/- 1.25   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 232.1:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.82 +/- 0.22  99.816% * 98.3538% (1.00  10.0 10.00   6.00 232.12) = 100.000%  kept
          HB3   PRO   93 - HA    LYS+ 112   8.81 +/- 1.17   0.154% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    LYS+ 112  18.32 +/- 1.77   0.002% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LYS+ 112  14.90 +/- 0.80   0.005% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LYS+ 112  16.97 +/- 1.94   0.003% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 112  13.86 +/- 1.41   0.011% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  16.27 +/- 1.14   0.004% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  17.39 +/- 1.04   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 112  20.78 +/- 1.69   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  19.10 +/- 1.07   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  19.94 +/- 1.34   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  25.36 +/- 1.74   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  29.67 +/- 1.56   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  28.51 +/- 1.71   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1421 (0.36, 3.46, 61.33 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 232.1:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   3.02 +/- 0.61  99.910% * 99.8441% (1.00  10.0 10.00   6.08 232.12) = 100.000%  kept
          QB    ALA   47 - HA    LYS+ 112  12.70 +/- 1.21   0.063% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HA    LYS+ 112  13.54 +/- 1.42   0.027% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 232.1:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   3.30 +/- 0.54  99.704% * 99.8009% (1.00  10.0 10.00   5.76 232.12) = 100.000%  kept
          HG    LEU   63 - HA    LYS+ 112  11.31 +/- 1.38   0.113% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    LYS+ 112  10.08 +/- 0.55   0.175% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    LYS+ 112  17.56 +/- 1.18   0.006% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LYS+ 112  22.75 +/- 1.04   0.001% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.825, support = 6.02, residual support = 232.1:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.59 +/- 0.26  78.565% * 43.2573% (0.76  10.0 10.00   6.21 232.12) =  74.288%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   4.00 +/- 1.03  20.781% * 56.6026% (1.00   1.0 10.00   5.46 232.12) =  25.712%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.33 +/- 0.80   0.641% *  0.0212% (0.38   1.0  1.00   0.02  28.03) =   0.000%
          QG2   THR   94 - HA    LYS+ 112  11.63 +/- 0.86   0.012% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 112  22.06 +/- 3.09   0.000% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 112  18.02 +/- 1.16   0.001% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1424 (3.46, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 232.1:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.82 +/- 0.22  99.909% * 98.8850% (1.00  10.0 10.00   6.00 232.12) = 100.000%  kept
          HB2   HIS  122 - HB    VAL   42  10.43 +/- 1.43   0.073% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 112 - HB    VAL   42  18.32 +/- 1.77   0.002% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB    VAL   42  13.15 +/- 0.53   0.010% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB2   LYS+ 112  17.42 +/- 1.19   0.002% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LYS+ 112  16.89 +/- 1.95   0.003% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.786, support = 5.03, residual support = 128.3:
      O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.01  78.784% * 40.6012% (0.70  10.0 10.00   4.37  88.62) =  72.338%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.71 +/- 0.26  21.214% * 57.6594% (1.00  10.0 10.00   6.74 232.12) =  27.662%  kept
        T QB    ALA   47 - HB2   LYS+ 112  13.72 +/- 1.48   0.002% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  15.66 +/- 1.31   0.001% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  15.45 +/- 0.32   0.001% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  20.50 +/- 2.07   0.000% *  0.4861% (0.84   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1427 (1.05, 1.37, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 232.1:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.60 +/- 0.27  99.711% * 98.8037% (1.00  10.0 10.00   5.76 232.12) = 100.000%  kept
          HG    LEU   63 - HB    VAL   42   8.77 +/- 1.53   0.174% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL   42   9.25 +/- 0.67   0.071% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB    VAL   42  20.94 +/- 2.21   0.001% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB2   LYS+ 112  11.50 +/- 0.65   0.016% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB2   LYS+ 112  13.75 +/- 1.37   0.007% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB    VAL   42  11.99 +/- 0.86   0.013% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL   42  13.11 +/- 0.55   0.007% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  19.75 +/- 0.76   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LYS+ 112  24.53 +/- 1.07   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.776, support = 6.19, residual support = 231.0:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  89.683% * 41.6007% (0.76  10.0 10.00   6.21 232.12) =  94.696%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.35 +/- 0.62   3.471% * 54.4349% (1.00  10.0 10.00   6.16 232.12) =   4.796%  kept
          HB3   LEU   71 - HB    VAL   42   4.48 +/- 1.14   6.771% *  2.9519% (0.84   1.0  1.00   1.30   5.24) =   0.507%  kept
          HG3   LYS+ 111 - HB2   LYS+ 112   6.69 +/- 1.07   0.072% *  0.0204% (0.38   1.0  1.00   0.02  28.03) =   0.000%
          QG2   THR   94 - HB    VAL   42  10.24 +/- 0.50   0.002% *  0.0367% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HB2   LYS+ 112  13.28 +/- 0.92   0.001% *  0.0436% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 112 - HB    VAL   42  21.32 +/- 2.08   0.000% *  0.4589% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 112 - HB    VAL   42  20.54 +/- 2.02   0.000% *  0.3507% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  14.66 +/- 0.43   0.000% *  0.0142% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  19.64 +/- 1.59   0.000% *  0.0172% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 112  24.60 +/- 3.01   0.000% *  0.0540% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  19.82 +/- 1.34   0.000% *  0.0168% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1429 (3.46, 0.36, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 232.1:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   3.02 +/- 0.61  99.986% * 99.8459% (1.00  10.0 10.00   6.08 232.12) = 100.000%  kept
          HB2   HIS  122 - HG2   LYS+ 112  17.18 +/- 1.77   0.006% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HG2   LYS+ 112  16.30 +/- 2.28   0.008% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 232.1:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.71 +/- 0.26  99.937% * 98.3538% (1.00  10.0 10.00   6.74 232.12) = 100.000%  kept
          HB3   PRO   93 - HG2   LYS+ 112  10.38 +/- 1.53   0.049% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG2   LYS+ 112  20.50 +/- 2.07   0.001% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG2   LYS+ 112  17.18 +/- 1.24   0.002% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG2   LYS+ 112  18.07 +/- 2.64   0.002% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+ 112  15.74 +/- 2.04   0.004% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  18.65 +/- 1.52   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  17.44 +/- 1.45   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 112  22.76 +/- 2.04   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  21.19 +/- 1.43   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  22.29 +/- 1.69   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  27.64 +/- 2.24   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  31.78 +/- 2.07   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  29.83 +/- 2.13   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 232.1:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  99.998% * 99.8009% (1.00  10.0 10.00   6.98 232.12) = 100.000%  kept
          HG    LEU   63 - HG2   LYS+ 112  13.28 +/- 1.75   0.001% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG2   LYS+ 112  11.66 +/- 1.09   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  19.87 +/- 1.46   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  24.32 +/- 1.69   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1433 (1.20, 0.36, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.879, support = 6.77, residual support = 232.1:
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.72 +/- 0.26  57.857% * 43.2573% (0.76  10.0 10.00   6.98 232.12) =  51.329%  kept
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.88 +/- 0.26  41.926% * 56.6026% (1.00  10.0 10.00   6.54 232.12) =  48.671%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   7.53 +/- 1.06   0.211% *  0.0212% (0.38   1.0  1.00   0.02  28.03) =   0.000%
          QG2   THR   94 - HG2   LYS+ 112  13.28 +/- 1.25   0.005% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 112  24.16 +/- 3.20   0.000% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  19.78 +/- 1.42   0.000% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1434 (3.46, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 232.1:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   3.30 +/- 0.54  99.985% * 99.8459% (1.00  10.0 10.00   5.76 232.12) = 100.000%  kept
          HB2   HIS  122 - HG3   LYS+ 112  17.71 +/- 1.58   0.007% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HG3   LYS+ 112  16.57 +/- 2.34   0.008% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1435 (1.37, 1.05, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 232.1:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.60 +/- 0.27  99.940% * 98.3538% (1.00  10.0 10.00   5.76 232.12) = 100.000%  kept
          HB3   PRO   93 - HG3   LYS+ 112  10.53 +/- 1.34   0.046% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG3   LYS+ 112  20.94 +/- 2.21   0.001% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 112  18.70 +/- 2.67   0.002% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 112  17.33 +/- 0.98   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 112  16.09 +/- 2.13   0.006% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 112  18.66 +/- 1.19   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG3   LYS+ 112  23.11 +/- 2.15   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  17.87 +/- 1.33   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  21.44 +/- 1.40   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  22.58 +/- 1.51   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  27.86 +/- 1.94   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  32.19 +/- 1.98   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  30.27 +/- 2.15   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1436 (0.36, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 232.1:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  99.999% * 99.8441% (1.00  10.0 10.00   6.98 232.12) = 100.000%  kept
          QB    ALA   47 - HG3   LYS+ 112  13.40 +/- 1.27   0.001% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HG3   LYS+ 112  15.70 +/- 1.79   0.000% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.931, support = 5.7, residual support = 232.1:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.45 +/- 0.13  64.813% * 56.6026% (1.00  10.0 10.00   5.56 232.12) =  70.752%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.76 +/- 0.28  35.059% * 43.2573% (0.76  10.0  1.00   6.03 232.12) =  29.248%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.27 +/- 0.74   0.125% *  0.0212% (0.38   1.0  1.00   0.02  28.03) =   0.000%
          QG2   THR   94 - HG3   LYS+ 112  13.35 +/- 0.83   0.003% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   LYS+ 112  24.63 +/- 3.34   0.000% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  19.81 +/- 1.15   0.000% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1439 (3.46, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.46, residual support = 232.1:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   4.00 +/- 1.03  99.933% * 99.8459% (1.00 10.00   5.46 232.12) = 100.000%  kept
          HB    THR   46 - HD2   LYS+ 112  16.80 +/- 2.16   0.044% *  0.0646% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HD2   LYS+ 112  17.94 +/- 1.59   0.023% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 232.1:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.35 +/- 0.62  99.696% * 98.3538% (1.00  10.0 10.00   6.16 232.12) = 100.000%  kept
          HB3   PRO   93 - HD2   LYS+ 112  10.99 +/- 1.46   0.248% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HD2   LYS+ 112  21.32 +/- 2.08   0.003% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HD2   LYS+ 112  18.52 +/- 2.80   0.008% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HD2   LYS+ 112  18.10 +/- 1.24   0.007% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 112  16.44 +/- 1.93   0.019% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 112  19.16 +/- 1.25   0.005% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  17.91 +/- 1.69   0.008% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD2   LYS+ 112  23.46 +/- 2.00   0.002% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  22.00 +/- 1.45   0.002% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  23.22 +/- 1.63   0.002% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  28.57 +/- 1.87   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  32.55 +/- 2.12   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  30.23 +/- 1.97   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1441 (0.36, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.54, residual support = 232.1:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.88 +/- 0.26  99.985% * 99.8441% (1.00  10.0 10.00   6.54 232.12) = 100.000%  kept
          QB    ALA   47 - HD2   LYS+ 112  13.62 +/- 1.47   0.010% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD2   LYS+ 112  16.03 +/- 1.67   0.005% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1442 (1.05, 1.20, 29.98 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.56, residual support = 232.1:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.45 +/- 0.13  99.986% * 99.8009% (1.00  10.0 10.00   5.56 232.12) = 100.000%  kept
          HG    LEU   63 - HD2   LYS+ 112  14.07 +/- 2.04   0.005% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HD2   LYS+ 112  12.39 +/- 1.00   0.008% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  20.80 +/- 1.67   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HD2   LYS+ 112  24.92 +/- 1.66   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1443 (1.20, 1.20, 29.98 ppm):
    1 diagonal assignment:
    *     HD2   LYS+ 112 - HD2   LYS+ 112  (1.00)  kept
 
    Peak 1444 (4.37, 4.37, 57.38 ppm):
    1 diagonal assignment:
    *     HA    ASP- 113 - HA    ASP- 113  (1.00)  kept
 
    Peak 1445 (2.68, 4.37, 57.38 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 14.3:
    * O T QB    ASP- 113 - HA    ASP- 113   2.51 +/- 0.07 100.000% *100.0000% (1.00  10.0 10.00   2.00  14.29) = 100.000%  kept
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1446 (4.37, 2.68, 39.79 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 14.3:
    * O T HA    ASP- 113 - QB    ASP- 113   2.51 +/- 0.07  99.958% * 99.1713% (1.00  10.0 10.00   2.00  14.29) = 100.000%  kept
        T HA    PHE   59 - QB    ASP- 113  11.45 +/- 0.84   0.013% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    ASP- 113  10.30 +/- 1.02   0.026% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    ASP- 113  14.76 +/- 0.45   0.003% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  20.92 +/- 0.84   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  28.16 +/- 1.10   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.929, support = 3.27, residual support = 49.7:
    * O T QB    GLU- 114 - HA    GLU- 114   2.31 +/- 0.13  70.498% * 63.8790% (0.97  10.0 10.00   3.15  44.28) =  95.268%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.76 +/- 0.11  24.946% *  6.0284% (0.09  10.0 10.00   6.15 227.91) =   3.181%  kept
        T QB    GLU- 114 - HA    LEU  115   4.22 +/- 0.40   2.489% * 29.3979% (0.44   1.0 10.00   4.61  15.17) =   1.548%  kept
          HB2   LYS+ 111 - HA    GLU- 114   4.88 +/- 1.06   1.277% *  0.0481% (0.73   1.0  1.00   0.02   2.45) =   0.001%
        T HB2   LEU  115 - HA    GLU- 114   5.57 +/- 0.07   0.364% *  0.1310% (0.20   1.0 10.00   0.02  15.17) =   0.001%
          HB2   LYS+ 111 - HA    LEU  115   6.23 +/- 1.28   0.409% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  10.76 +/- 1.63   0.012% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  16.90 +/- 2.83   0.001% *  0.0264% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.24 +/- 1.41   0.002% *  0.0147% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  19.80 +/- 2.98   0.000% *  0.0574% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  17.73 +/- 2.26   0.001% *  0.0125% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.28 +/- 1.03   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  20.75 +/- 2.58   0.000% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  19.54 +/- 1.45   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  19.63 +/- 1.36   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  22.73 +/- 1.40   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.22 +/- 1.11   0.000% *  0.0611% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  23.91 +/- 1.29   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  31.12 +/- 1.51   0.000% *  0.0626% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  27.85 +/- 1.04   0.000% *  0.0288% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  23.74 +/- 1.26   0.000% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  27.21 +/- 1.29   0.000% *  0.0090% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1450 (2.31, 4.14, 59.59 ppm):
    14 chemical-shift based assignments, quality = 0.907, support = 3.49, residual support = 39.4:
    * O T QG    GLU- 114 - HA    GLU- 114   3.01 +/- 0.35  69.500% * 68.1764% (1.00  10.0 10.00   3.31  44.28) =  83.222%  kept
        T QG    GLU- 114 - HA    LEU  115   4.43 +/- 1.40  30.446% * 31.3756% (0.46   1.0 10.00   4.37  15.17) =  16.778%  kept
          HG2   MET   92 - HA    GLU- 114  14.33 +/- 2.07   0.011% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    LEU  115  12.34 +/- 1.79   0.024% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    LEU  115  13.39 +/- 1.23   0.013% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU- 114  15.79 +/- 1.47   0.005% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  22.90 +/- 0.85   0.000% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU- 114  26.41 +/- 1.42   0.000% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  32.91 +/- 1.20   0.000% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  30.29 +/- 1.53   0.000% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  32.78 +/- 1.35   0.000% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  29.60 +/- 1.08   0.000% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  33.93 +/- 1.34   0.000% *  0.0233% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  30.70 +/- 1.29   0.000% *  0.0107% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1451 (4.14, 2.00, 29.90 ppm):
    8 chemical-shift based assignments, quality = 0.957, support = 3.19, residual support = 43.6:
    * O T HA    GLU- 114 - QB    GLU- 114   2.31 +/- 0.13  96.361% * 59.0968% (0.97  10.0 10.00   3.15  44.28) =  97.481%  kept
        T HA    LEU  115 - QB    GLU- 114   4.22 +/- 0.40   3.625% * 40.5940% (0.66   1.0 10.00   4.61  15.17) =   2.519%  kept
        T HA    ARG+  54 - QB    GLU- 114  13.82 +/- 0.94   0.003% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QB    GLU- 114  10.92 +/- 0.99   0.011% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  19.56 +/- 1.25   0.000% *  0.0570% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  22.68 +/- 1.45   0.000% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  22.43 +/- 1.51   0.000% *  0.0382% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  25.32 +/- 1.28   0.000% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.63, residual support = 44.3:
    * O T QG    GLU- 114 - QB    GLU- 114   2.08 +/- 0.06  99.988% * 99.1187% (0.96  10.0 10.00   3.63  44.28) = 100.000%  kept
          HG2   MET   92 - QB    GLU- 114  10.82 +/- 1.87   0.009% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QB    GLU- 114  12.27 +/- 1.51   0.003% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  25 - QB    GLU- 114  27.91 +/- 1.48   0.000% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  21.99 +/- 1.61   0.000% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  29.08 +/- 1.37   0.000% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  30.36 +/- 1.52   0.000% *  0.0339% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1454 (4.14, 2.31, 37.32 ppm):
    8 chemical-shift based assignments, quality = 0.926, support = 3.56, residual support = 37.6:
    * O T HA    GLU- 114 - QG    GLU- 114   3.01 +/- 0.35  69.505% * 59.1519% (1.00  10.0 10.00   3.31  44.28) =  76.877%  kept
        T HA    LEU  115 - QG    GLU- 114   4.43 +/- 1.40  30.434% * 40.6319% (0.69   1.0 10.00   4.37  15.17) =  23.123%  kept
          HA    CYS   53 - QG    GLU- 114  10.81 +/- 1.31   0.050% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  13.70 +/- 1.29   0.010% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  19.59 +/- 1.73   0.001% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  22.73 +/- 1.75   0.000% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  22.36 +/- 1.84   0.000% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  25.25 +/- 1.48   0.000% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.959, support = 3.59, residual support = 43.7:
    * O T QB    GLU- 114 - QG    GLU- 114   2.08 +/- 0.06  69.252% * 95.0090% (0.96  10.0 10.00   3.63  44.28) =  98.494%  kept
          HB2   LYS+ 111 - QG    GLU- 114   2.84 +/- 0.95  27.693% *  3.6306% (0.72   1.0  1.00   1.02   2.45) =   1.505%  kept
          HB2   LEU  115 - QG    GLU- 114   4.62 +/- 1.26   3.052% *  0.0195% (0.20   1.0  1.00   0.02  15.17) =   0.001%
          HG3   PRO   58 - QG    GLU- 114  12.60 +/- 1.52   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLU- 114  18.68 +/- 2.70   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLU- 114  26.35 +/- 1.90   0.000% *  0.9313% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  20.15 +/- 1.45   0.000% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  20.53 +/- 1.60   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  19.44 +/- 2.21   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  21.13 +/- 1.64   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  23.51 +/- 1.60   0.000% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.629, support = 5.48, residual support = 185.7:
    * O T HB2   LEU  115 - HA    LEU  115   2.76 +/- 0.11  21.128% * 63.8902% (0.84  10.0 10.00   6.15 227.91) =  71.844%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.31 +/- 0.13  59.673% *  5.3954% (0.07  10.0 10.00   3.15  44.28) =  17.136%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.89 +/- 0.20  16.695% *  9.9598% (0.13  10.0  1.00   4.76 158.67) =   8.850%  kept
        T QB    GLU- 114 - HA    LEU  115   4.22 +/- 0.40   2.065% * 19.7195% (0.26   1.0 10.00   4.61  15.17) =   2.167%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.57 +/- 0.07   0.304% *  0.1748% (0.23   1.0 10.00   0.02  15.17) =   0.003%
          HG3   PRO   58 - HA    ARG+  54   7.00 +/- 0.91   0.111% *  0.0357% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HA    ARG+  54  11.48 +/- 0.65   0.004% *  0.3582% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  10.76 +/- 1.63   0.010% *  0.0637% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HA    ARG+  54  13.82 +/- 0.94   0.001% *  0.1106% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LEU  115  13.60 +/- 1.96   0.002% *  0.0512% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  16.90 +/- 2.83   0.001% *  0.0286% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.24 +/- 1.41   0.001% *  0.0174% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  14.23 +/- 0.94   0.001% *  0.0178% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  14.50 +/- 1.62   0.001% *  0.0188% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  16.52 +/- 1.47   0.001% *  0.0336% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  16.88 +/- 2.16   0.001% *  0.0140% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  18.96 +/- 1.11   0.000% *  0.0287% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.28 +/- 1.03   0.000% *  0.0240% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  19.80 +/- 2.98   0.000% *  0.0078% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  19.79 +/- 1.58   0.000% *  0.0134% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  17.28 +/- 0.88   0.000% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  22.52 +/- 1.94   0.000% *  0.0161% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  20.89 +/- 1.52   0.000% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.22 +/- 1.11   0.000% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1459 (1.48, 4.12, 59.41 ppm):
    30 chemical-shift based assignments, quality = 0.317, support = 6.24, residual support = 227.9:
      O T HB3   LEU  115 - HA    LEU  115   2.23 +/- 0.06  94.305% * 25.2077% (0.26  10.0 10.00   6.24 227.91) =  87.290%  kept
    * O T HG    LEU  115 - HA    LEU  115   3.75 +/- 0.33   4.885% * 70.8443% (0.72  10.0 10.00   6.21 227.91) =  12.708%  kept
        T HG    LEU  115 - HA    GLU- 114   6.67 +/- 0.72   0.172% *  0.1938% (0.20   1.0 10.00   0.02  15.17) =   0.001%
        T HB3   LEU  115 - HA    GLU- 114   6.41 +/- 0.16   0.174% *  0.0690% (0.07   1.0 10.00   0.02  15.17) =   0.000%
          QB    ALA  120 - HA    LEU  115   7.11 +/- 0.46   0.096% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ARG+  54  11.47 +/- 1.22   0.007% *  0.3972% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU- 114   6.80 +/- 0.36   0.123% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ARG+  54  11.08 +/- 0.76   0.007% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114   8.23 +/- 2.22   0.174% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    LEU  115  14.12 +/- 2.49   0.002% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU  115   8.30 +/- 0.95   0.045% *  0.0182% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    LEU  115  17.04 +/- 1.39   0.001% *  0.8095% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    LEU  115  15.41 +/- 1.39   0.001% *  0.2521% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU- 114  19.41 +/- 1.31   0.000% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    LEU  115  20.34 +/- 0.80   0.000% *  0.2786% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ARG+  54  14.31 +/- 1.69   0.002% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    ARG+  54  20.39 +/- 1.27   0.000% *  0.1883% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  17.63 +/- 1.29   0.000% *  0.0690% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  15.08 +/- 1.80   0.001% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ARG+  54  24.42 +/- 1.50   0.000% *  0.4539% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  16.87 +/- 0.89   0.001% *  0.0495% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ARG+  54  16.34 +/- 0.97   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  15.23 +/- 1.39   0.001% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ARG+  54  23.39 +/- 1.45   0.000% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  17.06 +/- 3.05   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    GLU- 114  23.41 +/- 0.89   0.000% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  19.91 +/- 1.41   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  21.09 +/- 1.09   0.000% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  20.39 +/- 1.47   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  19.11 +/- 1.59   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.826, support = 6.13, residual support = 224.8:
    *   T QD1   LEU  115 - HA    LEU  115   3.81 +/- 0.39  93.728% * 78.0672% (0.84 10.00   6.15 227.91) =  98.545%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.45 +/- 0.62   5.036% * 21.3596% (0.23 10.00   4.46  15.17) =   1.449%  kept
        T QD1   LEU  115 - HA    ARG+  54   8.60 +/- 0.79   1.127% *  0.4377% (0.47 10.00   0.02   0.02) =   0.007%
          QG1   VAL   75 - HA    LEU  115  14.36 +/- 0.69   0.037% *  0.0738% (0.79  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    ARG+  54  13.51 +/- 1.37   0.057% *  0.0414% (0.44  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    GLU- 114  17.10 +/- 1.14   0.015% *  0.0202% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.8, support = 7.36, residual support = 225.7:
    *   T QD2   LEU  115 - HA    LEU  115   3.11 +/- 0.39  86.427% * 77.6784% (0.81 10.00   7.40 227.91) =  98.943%  kept
        T QD2   LEU  115 - HA    GLU- 114   5.82 +/- 0.49   3.343% * 21.2532% (0.22 10.00   4.46  15.17) =   1.047%  kept
          QD1   LEU   63 - HA    LEU  115   5.67 +/- 1.33   7.806% *  0.0761% (0.79  1.00   0.02   0.02) =   0.009%
          QD2   LEU   63 - HA    LEU  115   7.04 +/- 1.39   1.716% *  0.0302% (0.31  1.00   0.02   0.02) =   0.001%
        T QD2   LEU  115 - HA    ARG+  54   9.90 +/- 0.95   0.104% *  0.4355% (0.45 10.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HA    GLU- 114   8.94 +/- 1.29   0.293% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    ARG+  54  11.27 +/- 0.71   0.045% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    LEU  115  12.40 +/- 1.27   0.028% *  0.0615% (0.64  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114   9.77 +/- 1.52   0.173% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU  115  15.41 +/- 1.00   0.007% *  0.0761% (0.79  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  13.09 +/- 1.11   0.020% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    ARG+  54  13.43 +/- 0.80   0.017% *  0.0169% (0.18  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  115  17.21 +/- 0.82   0.004% *  0.0761% (0.79  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    ARG+  54  16.47 +/- 1.36   0.004% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    ARG+  54  17.43 +/- 1.42   0.003% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLU- 114  18.25 +/- 1.00   0.003% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  18.74 +/- 0.79   0.002% *  0.0248% (0.26  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  21.05 +/- 1.17   0.001% *  0.0345% (0.36  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  19.94 +/- 1.20   0.002% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  19.28 +/- 1.19   0.002% *  0.0139% (0.14  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  20.91 +/- 1.21   0.001% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 6.15, residual support = 227.9:
    * O T HA    LEU  115 - HB2   LEU  115   2.76 +/- 0.11  98.491% * 98.0930% (0.84  10.0 10.00   6.15 227.91) =  99.994%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.57 +/- 0.07   1.486% *  0.4006% (0.34   1.0 10.00   0.02  15.17) =   0.006%
        T HA    ARG+  54 - HB2   LEU  115  11.48 +/- 0.65   0.020% *  1.0841% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   LEU  115  17.83 +/- 0.74   0.001% *  0.0981% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  21.63 +/- 1.07   0.000% *  0.0483% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  25.17 +/- 1.33   0.000% *  0.1019% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  23.54 +/- 1.67   0.000% *  0.0572% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  25.22 +/- 1.48   0.000% *  0.0807% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  31.54 +/- 1.50   0.000% *  0.0362% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.443, support = 6.12, residual support = 227.9:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  89.860% * 25.8976% (0.31  10.0 10.00   6.10 227.91) =  75.943%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.57 +/- 0.23  10.129% * 72.7830% (0.87  10.0 10.00   6.20 227.91) =  24.057%  kept
          QB    ALA  120 - HB2   LEU  115   8.26 +/- 0.45   0.009% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HB2   LEU  115  19.38 +/- 1.55   0.000% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  10.66 +/- 1.06   0.002% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU  115  17.80 +/- 1.54   0.000% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU  115  16.06 +/- 2.08   0.000% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  15.77 +/- 1.65   0.000% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU  115  17.57 +/- 1.01   0.000% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  21.41 +/- 0.97   0.000% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1465 (0.43, 1.98, 42.01 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 227.9:
    * O T QD1   LEU  115 - HB2   LEU  115   2.43 +/- 0.33  99.997% * 99.9055% (1.00  10.0 10.00   6.00 227.91) = 100.000%  kept
          QG1   VAL   75 - HB2   LEU  115  14.92 +/- 0.80   0.003% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1466 (0.59, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 227.9:
    * O T QD2   LEU  115 - HB2   LEU  115   2.91 +/- 0.43  98.948% * 99.5578% (0.97  10.0 10.00   7.24 227.91) =  99.999%  kept
          QD1   LEU   63 - HB2   LEU  115   7.11 +/- 1.08   0.829% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB2   LEU  115   8.71 +/- 1.16   0.206% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   LEU  115  14.55 +/- 1.19   0.009% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU  115  16.78 +/- 1.14   0.004% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  115  17.95 +/- 0.93   0.002% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  115  19.61 +/- 0.88   0.001% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.724, support = 6.21, residual support = 227.9:
    * O T HA    LEU  115 - HG    LEU  115   3.75 +/- 0.33  94.470% * 97.1402% (0.72  10.0 10.00   6.21 227.91) =  99.980%  kept
        T HA    GLU- 114 - HG    LEU  115   6.67 +/- 0.72   3.918% *  0.3967% (0.30   1.0 10.00   0.02  15.17) =   0.017%
        T HA    ARG+  54 - HG    LEU  115  11.47 +/- 1.22   0.204% *  1.0736% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   34 - HG    LEU   40   8.77 +/- 0.79   0.697% *  0.0271% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU   40   9.65 +/- 1.48   0.549% *  0.0192% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG    LEU   40  15.41 +/- 1.39   0.027% *  0.3299% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HG    LEU   40  17.63 +/- 1.29   0.010% *  0.1347% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU  115  16.51 +/- 1.04   0.014% *  0.0971% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU   40  14.43 +/- 1.16   0.034% *  0.0343% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU   40  15.08 +/- 1.92   0.035% *  0.0330% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG    LEU   40  23.39 +/- 1.45   0.002% *  0.3646% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  14.53 +/- 0.55   0.031% *  0.0122% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  22.93 +/- 1.53   0.002% *  0.0478% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU  115  25.83 +/- 1.79   0.001% *  0.1009% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG    LEU  115  25.22 +/- 1.86   0.001% *  0.0799% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  24.14 +/- 1.95   0.002% *  0.0566% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  22.72 +/- 0.99   0.002% *  0.0162% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  31.60 +/- 1.84   0.000% *  0.0359% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1468 (1.98, 1.48, 26.92 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 6.2, residual support = 227.9:
    * O T HB2   LEU  115 - HG    LEU  115   2.57 +/- 0.23  98.791% * 98.2266% (0.87  10.0 10.00   6.20 227.91) =  99.999%  kept
        T HB2   LEU   67 - HG    LEU   40   8.26 +/- 1.42   0.152% *  0.2671% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU  115   8.26 +/- 1.60   0.309% *  0.0980% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU  115   6.18 +/- 0.57   0.647% *  0.0303% (0.27   1.0  1.00   0.02  15.17) =   0.000%
        T HB2   LEU   67 - HG    LEU  115  14.45 +/- 1.52   0.005% *  0.7865% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   40  10.91 +/- 2.28   0.062% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HG    LEU   40  17.80 +/- 1.54   0.001% *  0.3336% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  12.56 +/- 1.35   0.009% *  0.0273% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  11.96 +/- 0.91   0.012% *  0.0125% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  17.49 +/- 3.06   0.002% *  0.0440% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  16.78 +/- 1.90   0.002% *  0.0517% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU   40  14.57 +/- 1.33   0.004% *  0.0176% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  15.85 +/- 1.35   0.002% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  20.48 +/- 1.69   0.000% *  0.0369% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  21.24 +/- 1.08   0.000% *  0.0333% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  25.50 +/- 1.17   0.000% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.04 A, kept.
 
    Peak 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 = 6.07, residual support = 227.9:
    * O T QD1   LEU  115 - HG    LEU  115   2.10 +/- 0.02  99.997% * 99.5358% (0.87  10.0 10.00   6.07 227.91) = 100.000%  kept
        T QD1   LEU  115 - HG    LEU   40  15.28 +/- 1.92   0.001% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU  115  15.69 +/- 1.33   0.001% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU   40  14.04 +/- 0.71   0.001% *  0.0320% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 7.27, residual support = 227.9:
    * O T QD2   LEU  115 - HG    LEU  115   2.09 +/- 0.01  97.166% * 99.0740% (0.84  10.0 10.00   7.27 227.91) =  99.999%  kept
          QD1   LEU  104 - HG    LEU   40   4.66 +/- 0.80   2.481% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HG    LEU  115   6.78 +/- 1.05   0.167% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU  115   8.16 +/- 1.27   0.053% *  0.0385% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU   40   7.52 +/- 1.25   0.076% *  0.0131% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU   40   8.54 +/- 0.93   0.027% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HG    LEU   40   8.84 +/- 0.99   0.024% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HG    LEU   40  14.15 +/- 2.03   0.002% *  0.3365% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG    LEU  115  14.69 +/- 1.34   0.001% *  0.0785% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU  115  17.03 +/- 1.58   0.000% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  14.58 +/- 0.82   0.001% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  18.63 +/- 1.31   0.000% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  15.69 +/- 1.05   0.001% *  0.0108% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  20.53 +/- 1.28   0.000% *  0.0317% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.825, support = 6.11, residual support = 223.3:
    *   T HA    LEU  115 - QD1   LEU  115   3.81 +/- 0.39  93.780% * 70.2377% (0.84 10.00   6.15 227.91) =  97.840%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.45 +/- 0.62   5.038% * 28.6837% (0.34 10.00   4.46  15.17) =   2.147%  kept
        T HA    ARG+  54 - QD1   LEU  115   8.60 +/- 0.79   1.128% *  0.7762% (0.92 10.00   0.02   0.02) =   0.013%
          HA    ALA  124 - QD1   LEU  115  14.59 +/- 1.27   0.033% *  0.0702% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD1   LEU  115  18.73 +/- 1.70   0.009% *  0.0346% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD1   LEU  115  21.62 +/- 1.85   0.003% *  0.0729% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD1   LEU  115  21.38 +/- 1.90   0.003% *  0.0578% (0.69  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD1   LEU  115  20.66 +/- 2.07   0.005% *  0.0409% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  26.72 +/- 1.91   0.001% *  0.0260% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 227.9:
    * O T HB2   LEU  115 - QD1   LEU  115   2.43 +/- 0.33  96.898% * 99.6279% (1.00  10.0 10.00   6.00 227.91) =  99.997%  kept
          HG3   PRO   58 - QD1   LEU  115   6.06 +/- 1.57   2.238% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU- 114 - QD1   LEU  115   5.66 +/- 0.49   0.792% *  0.0307% (0.31   1.0  1.00   0.02  15.17) =   0.000%
          HB2   LEU   67 - QD1   LEU  115  12.43 +/- 1.63   0.019% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD1   LEU  115   9.50 +/- 0.94   0.034% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU  115  13.73 +/- 1.84   0.009% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   LEU  115  14.99 +/- 2.51   0.007% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  17.00 +/- 1.58   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1474 (1.48, 0.43, 25.13 ppm):
    10 chemical-shift based assignments, quality = 0.791, support = 6.07, residual support = 227.9:
    * O T HG    LEU  115 - QD1   LEU  115   2.10 +/- 0.02  69.021% * 72.7830% (0.87  10.0 10.00   6.07 227.91) =  86.273%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.48 +/- 0.34  30.865% * 25.8976% (0.31  10.0 10.00   6.10 227.91) =  13.727%  kept
          QB    ALA  120 - QD1   LEU  115   6.96 +/- 1.04   0.099% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD1   LEU  115  16.48 +/- 1.86   0.000% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD1   LEU  115  15.28 +/- 1.92   0.001% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115   9.73 +/- 0.83   0.008% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  11.81 +/- 1.53   0.003% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   LEU  115  13.13 +/- 1.69   0.002% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU  115  14.34 +/- 1.45   0.001% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  17.90 +/- 1.45   0.000% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 227.9:
    * O T QD2   LEU  115 - QD1   LEU  115   2.01 +/- 0.07  99.586% * 99.5578% (0.97  10.0 10.00   7.24 227.91) = 100.000%  kept
          QD1   LEU   63 - QD1   LEU  115   5.92 +/- 1.09   0.325% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD1   LEU  115   7.27 +/- 1.17   0.085% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QD1   LEU  115  12.89 +/- 1.39   0.002% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD1   LEU  115  14.23 +/- 1.54   0.001% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   LEU  115  15.35 +/- 1.35   0.001% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  17.01 +/- 1.30   0.000% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1477 (4.12, 0.59, 23.43 ppm):
    9 chemical-shift based assignments, quality = 0.798, support = 7.35, residual support = 224.3:
    *   T HA    LEU  115 - QD2   LEU  115   3.11 +/- 0.39  95.781% * 70.2377% (0.81 10.00   7.40 227.91) =  98.291%  kept
        T HA    GLU- 114 - QD2   LEU  115   5.82 +/- 0.49   4.074% * 28.6837% (0.33 10.00   4.46  15.17) =   1.707%  kept
        T HA    ARG+  54 - QD2   LEU  115   9.90 +/- 0.95   0.118% *  0.7762% (0.89 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - QD2   LEU  115  12.98 +/- 0.83   0.021% *  0.0702% (0.81  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD2   LEU  115  21.32 +/- 1.91   0.001% *  0.0729% (0.84  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD2   LEU  115  20.49 +/- 1.98   0.001% *  0.0578% (0.66  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  19.66 +/- 2.23   0.002% *  0.0409% (0.47  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD2   LEU  115  19.41 +/- 1.58   0.002% *  0.0346% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  25.79 +/- 2.04   0.000% *  0.0260% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 227.9:
    * O T HB2   LEU  115 - QD2   LEU  115   2.91 +/- 0.43  95.989% * 99.6279% (0.97  10.0 10.00   7.24 227.91) =  99.997%  kept
          HG3   PRO   58 - QD2   LEU  115   6.84 +/- 1.35   1.762% *  0.0994% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU- 114 - QD2   LEU  115   5.62 +/- 0.47   2.074% *  0.0307% (0.30   1.0  1.00   0.02  15.17) =   0.001%
          HB2   LEU   67 - QD2   LEU  115  11.38 +/- 1.21   0.049% *  0.0798% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD2   LEU  115  13.74 +/- 2.79   0.051% *  0.0447% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  115  10.98 +/- 1.00   0.055% *  0.0277% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD2   LEU  115  13.66 +/- 1.48   0.017% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD2   LEU  115  16.68 +/- 1.74   0.005% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1479 (1.48, 0.59, 23.43 ppm):
    10 chemical-shift based assignments, quality = 0.778, support = 7.27, residual support = 227.9:
    * O T HG    LEU  115 - QD2   LEU  115   2.09 +/- 0.01  74.210% * 72.7830% (0.84  10.0 10.00   7.27 227.91) =  89.109%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.62 +/- 0.41  25.489% * 25.8976% (0.30  10.0 10.00   7.30 227.91) =  10.890%  kept
          QB    ALA  120 - QD2   LEU  115   5.55 +/- 0.59   0.266% *  0.0728% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD2   LEU  115  15.30 +/- 2.01   0.001% *  0.8316% (0.96   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  115   8.20 +/- 0.83   0.024% *  0.0187% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD2   LEU  115  14.15 +/- 2.03   0.002% *  0.2590% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  11.91 +/- 1.41   0.003% *  0.0345% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  11.46 +/- 1.56   0.004% *  0.0233% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  115  14.52 +/- 1.44   0.001% *  0.0509% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  17.81 +/- 1.48   0.000% *  0.0286% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 227.9:
    * O T QD1   LEU  115 - QD2   LEU  115   2.01 +/- 0.07  99.998% * 99.9055% (0.97  10.0 10.00   7.24 227.91) = 100.000%  kept
          QG1   VAL   75 - QD2   LEU  115  13.17 +/- 1.28   0.002% *  0.0945% (0.91   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 115.2:
    * O T HB2   GLN  116 - HA    GLN  116   2.90 +/- 0.08  99.809% * 98.6426% (1.00  10.0 10.00   5.31 115.17) = 100.000%  kept
          HB2   PRO   58 - HA    GLN  116   9.40 +/- 1.75   0.173% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLN  116  12.98 +/- 1.41   0.017% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLN  116  23.36 +/- 1.64   0.000% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLN   32 - HA    GLN  116  27.48 +/- 1.56   0.000% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN  116  25.08 +/- 1.18   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 115.2:
    * O T HG2   GLN  116 - HA    GLN  116   2.49 +/- 0.60  99.957% * 99.8732% (1.00  10.0 10.00   4.97 115.17) = 100.000%  kept
          HB3   PHE   95 - HA    GLN  116  10.44 +/- 1.24   0.043% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    GLN  116  31.88 +/- 1.43   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 115.2:
    * O T HA    GLN  116 - HB2   GLN  116   2.90 +/- 0.08  99.996% * 98.1197% (1.00  10.0 10.00   5.31 115.17) = 100.000%  kept
          HA    VAL   70 - HB2   GLN  116  19.84 +/- 1.31   0.001% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLN  116  20.13 +/- 1.14   0.001% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   GLN  116  31.26 +/- 1.30   0.000% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   GLN  116  32.00 +/- 1.11   0.000% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  20.49 +/- 1.24   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  23.00 +/- 1.08   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  28.36 +/- 1.43   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  30.68 +/- 0.92   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.56, residual support = 115.2:
    * O T HG2   GLN  116 - HB2   GLN  116   2.71 +/- 0.15  99.984% * 99.8732% (1.00  10.0 10.00   5.56 115.17) = 100.000%  kept
          HB3   PHE   95 - HB2   GLN  116  12.20 +/- 1.07   0.016% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   GLN  116  33.76 +/- 1.24   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 115.2:
    * O T HA    GLN  116 - HG2   GLN  116   2.49 +/- 0.60  99.997% * 99.5202% (1.00  10.0 10.00   4.97 115.17) = 100.000%  kept
          HA    VAL   70 - HG2   GLN  116  18.85 +/- 1.82   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLN  116  19.03 +/- 1.78   0.001% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  19.07 +/- 1.86   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  22.63 +/- 1.79   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  27.48 +/- 1.94   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  30.50 +/- 1.84   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  31.41 +/- 1.63   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  30.67 +/- 1.39   0.000% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1489 (2.37, 2.54, 34.75 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.56, residual support = 115.2:
    * O T HB2   GLN  116 - HG2   GLN  116   2.71 +/- 0.15  99.749% * 99.6852% (1.00  10.0 10.00   5.56 115.17) = 100.000%  kept
          HB2   PRO   58 - HG2   GLN  116   9.42 +/- 2.23   0.244% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   GLN  116  14.81 +/- 1.58   0.007% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   GLN  116  25.11 +/- 1.81   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  26.05 +/- 1.58   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  29.02 +/- 1.76   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.21 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 = 1.22, residual support = 15.2:
    * O T QB    SER  117 - HA    SER  117   2.41 +/- 0.12  98.335% * 98.0631% (1.00  10.0 10.00   1.22  15.20) =  99.999%  kept
          HA    LYS+ 121 - HA    SER  117   5.62 +/- 0.73   0.810% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HA    SER  117   5.44 +/- 0.31   0.849% *  0.0403% (0.41   1.0  1.00   0.02   6.39) =   0.000%
          HA    PHE   60 - HA    SER  117  12.66 +/- 0.77   0.005% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER  117  22.46 +/- 1.19   0.000% *  0.8795% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    SER  117  24.05 +/- 1.13   0.000% *  0.6344% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER  117  16.97 +/- 0.73   0.001% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  24.53 +/- 1.07   0.000% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  21.70 +/- 0.93   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1493 (4.24, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 1.22, residual support = 15.2:
    * O T HA    SER  117 - QB    SER  117   2.41 +/- 0.12  99.913% * 99.1287% (1.00  10.0 10.00   1.22  15.20) = 100.000%  kept
        T HA1   GLY   51 - QB    SER   48   8.30 +/- 0.58   0.068% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER  117  13.70 +/- 0.97   0.003% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.99 +/- 0.68   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  12.30 +/- 1.25   0.008% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  19.01 +/- 1.15   0.000% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   48  24.05 +/- 1.13   0.000% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  16.02 +/- 1.09   0.001% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  15.31 +/- 0.33   0.002% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  24.53 +/- 1.07   0.000% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.04 +/- 1.03   0.001% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER  117  25.75 +/- 0.98   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  19.52 +/- 1.28   0.000% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  19.76 +/- 0.88   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  25.07 +/- 0.56   0.000% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.62, residual support = 256.7:
    * O T HB    ILE  119 - HA    ILE  119   3.02 +/- 0.00  99.859% * 99.2403% (0.87  10.0 10.00   6.62 256.71) = 100.000%  kept
          HB3   PRO   68 - HA    ILE  119  12.30 +/- 2.25   0.060% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE  119  12.19 +/- 1.12   0.026% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ILE  119  13.44 +/- 0.88   0.014% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ILE  119  12.45 +/- 1.38   0.026% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  15.57 +/- 1.23   0.006% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ILE  119  19.41 +/- 2.02   0.002% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  17.10 +/- 1.18   0.003% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    ILE  119  18.25 +/- 1.02   0.002% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ILE  119  20.07 +/- 1.37   0.001% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ILE  119  21.87 +/- 1.51   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  27.90 +/- 1.18   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.94, residual support = 256.7:
    * O T QG2   ILE  119 - HA    ILE  119   2.40 +/- 0.08  98.148% * 99.7168% (1.00  10.0 10.00   6.94 256.71) = 100.000%  kept
          QD1   LEU   67 - HA    ILE  119   6.70 +/- 2.52   1.743% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  119  12.89 +/- 2.76   0.033% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    ILE  119   9.76 +/- 1.84   0.057% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    ILE  119  13.01 +/- 1.39   0.005% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    ILE  119  11.06 +/- 1.31   0.013% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  16.81 +/- 1.28   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.85, residual support = 256.7:
    * O T HG12  ILE  119 - HA    ILE  119   2.75 +/- 0.14  99.334% * 99.4466% (1.00  10.0 10.00   6.85 256.71) = 100.000%  kept
          HB2   ASP- 105 - HA    ILE  119   7.01 +/- 1.36   0.629% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ILE  119  12.34 +/- 1.05   0.015% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ILE  119  12.27 +/- 0.79   0.014% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  15.44 +/- 1.65   0.004% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ILE  119  18.24 +/- 1.21   0.001% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ILE  119  19.21 +/- 1.55   0.001% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  19.87 +/- 1.17   0.001% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ILE  119  25.66 +/- 1.41   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  22.66 +/- 1.08   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  26.83 +/- 1.28   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1501 (1.12, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 256.7:
    * O T HG13  ILE  119 - HA    ILE  119   3.09 +/- 0.55  91.348% * 99.6771% (1.00  10.0 10.00   6.04 256.71) =  99.998%  kept
          QG1   VAL  107 - HA    ILE  119   5.48 +/- 0.71   4.889% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HA    ILE  119   7.03 +/- 0.89   2.537% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ILE  119   6.97 +/- 0.69   1.174% *  0.0308% (0.31   1.0  1.00   0.02   3.58) =   0.000%
          HD3   LYS+ 112 - HA    ILE  119  12.55 +/- 1.42   0.046% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    ILE  119  17.97 +/- 0.63   0.003% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    ILE  119  20.83 +/- 1.89   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    ILE  119  20.42 +/- 2.03   0.002% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 6.04, residual support = 256.7:
    *   T QD1   ILE  119 - HA    ILE  119   3.46 +/- 0.53  99.493% * 99.2846% (0.97 10.00   6.04 256.71) = 100.000%  kept
          HB2   LEU  104 - HA    ILE  119   9.99 +/- 1.75   0.367% *  0.0747% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    ILE  119  11.06 +/- 0.78   0.130% *  0.0582% (0.57  1.00   0.02   0.02) =   0.000%
        T HB    VAL   75 - HA    ILE  119  17.51 +/- 1.35   0.009% *  0.5824% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.40 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.58, residual support = 252.8:
    * O T HA    ILE  119 - HB    ILE  119   3.02 +/- 0.00  98.164% * 50.8167% (0.87  10.0 10.00   6.62 256.71) =  98.238%  kept
        T HA    THR  118 - HB    ILE  119   5.86 +/- 0.09   1.825% * 49.0416% (0.84   1.0 10.00   4.75  36.89) =   1.762%  kept
          HA2   GLY  109 - HB    ILE  119  14.50 +/- 1.24   0.009% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    ILE  119  21.76 +/- 1.01   0.001% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    ILE  119  23.17 +/- 1.34   0.001% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  20.55 +/- 1.15   0.001% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 256.7:
    * O T QG2   ILE  119 - HB    ILE  119   2.12 +/- 0.01  99.923% * 99.7168% (0.87  10.0 10.00   6.31 256.71) = 100.000%  kept
          QD1   LEU   67 - HB    ILE  119   8.59 +/- 2.02   0.063% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  119  14.79 +/- 3.09   0.006% *  0.0865% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB    ILE  119  14.79 +/- 1.32   0.001% *  0.0943% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  12.14 +/- 1.81   0.005% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  12.82 +/- 1.14   0.002% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  17.68 +/- 1.45   0.000% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1506 (2.26, 2.03, 38.31 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 5.92, residual support = 256.7:
    * O T HG12  ILE  119 - HB    ILE  119   2.66 +/- 0.14  99.894% * 99.4466% (0.87  10.0 10.00   5.92 256.71) = 100.000%  kept
          HB2   ASP- 105 - HB    ILE  119   8.91 +/- 1.21   0.089% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB    ILE  119  13.58 +/- 1.25   0.007% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB    ILE  119  14.07 +/- 1.34   0.005% *  0.0760% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB    ILE  119  17.75 +/- 1.36   0.001% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  17.21 +/- 1.84   0.002% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  19.70 +/- 1.62   0.001% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  21.44 +/- 1.29   0.000% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  27.93 +/- 1.58   0.000% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  23.46 +/- 1.47   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  28.48 +/- 1.34   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 5.44, residual support = 256.7:
    * O T HG13  ILE  119 - HB    ILE  119   2.71 +/- 0.38  96.591% * 99.4020% (0.87  10.0 10.00   5.44 256.71) =  99.995%  kept
        T QG1   VAL  107 - HB    ILE  119   5.74 +/- 1.00   2.481% *  0.1534% (0.13   1.0 10.00   0.02   0.02) =   0.004%
        T QG2   VAL  107 - HB    ILE  119   6.96 +/- 1.10   0.705% *  0.1534% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HB    ILE  119   8.48 +/- 0.57   0.159% *  0.0307% (0.27   1.0  1.00   0.02   3.58) =   0.000%
          HD3   LYS+ 112 - HB    ILE  119  10.13 +/- 1.44   0.062% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    ILE  119  19.08 +/- 0.94   0.001% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    ILE  119  23.42 +/- 1.93   0.000% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    ILE  119  21.83 +/- 2.18   0.001% *  0.0409% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 256.7:
    * O T QD1   ILE  119 - HB    ILE  119   2.52 +/- 0.39  99.971% * 99.2846% (0.84  10.0 10.00   5.44 256.71) = 100.000%  kept
        T QG2   VAL  108 - HB    ILE  119  11.57 +/- 0.94   0.017% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    ILE  119  12.57 +/- 1.52   0.011% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  119  18.85 +/- 1.60   0.001% *  0.0582% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.94, residual support = 256.7:
    * O T HA    ILE  119 - QG2   ILE  119   2.40 +/- 0.08  99.626% * 99.6260% (1.00  10.0 10.00   6.94 256.71) = 100.000%  kept
          HA    THR  118 - QG2   ILE  119   6.11 +/- 0.02   0.369% *  0.0961% (0.97   1.0  1.00   0.02  36.89) =   0.000%
          HA2   GLY  109 - QG2   ILE  119  13.50 +/- 0.92   0.003% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  18.48 +/- 0.97   0.001% *  0.0893% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   ILE  119  19.68 +/- 1.23   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  16.71 +/- 1.11   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 256.7:
    * O T HB    ILE  119 - QG2   ILE  119   2.12 +/- 0.01  99.915% * 99.2403% (0.87  10.0 10.00   6.31 256.71) = 100.000%  kept
          HB3   PRO   68 - QG2   ILE  119   9.82 +/- 2.30   0.065% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE  119  10.88 +/- 0.80   0.006% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  10.87 +/- 0.94   0.006% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  12.83 +/- 0.91   0.002% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  12.88 +/- 1.36   0.002% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   ILE  119  14.36 +/- 1.01   0.001% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  13.68 +/- 1.02   0.002% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  17.97 +/- 1.97   0.000% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   ILE  119  17.79 +/- 1.47   0.000% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   ILE  119  19.10 +/- 1.70   0.000% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  24.25 +/- 1.34   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.23, residual support = 256.7:
    * O T HG12  ILE  119 - QG2   ILE  119   3.15 +/- 0.11  99.354% * 99.4466% (1.00  10.0 10.00   6.23 256.71) = 100.000%  kept
          HB2   ASP- 105 - QG2   ILE  119   8.22 +/- 1.10   0.407% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   ILE  119  10.46 +/- 1.36   0.107% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QG2   ILE  119  10.83 +/- 1.17   0.081% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE  119  12.84 +/- 1.69   0.030% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   ILE  119  15.70 +/- 1.09   0.007% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE  119  16.39 +/- 1.20   0.006% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   ILE  119  17.01 +/- 1.20   0.004% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   ILE  119  22.43 +/- 1.60   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  19.27 +/- 1.36   0.002% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  22.14 +/- 1.23   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1513 (1.12, 0.96, 17.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 256.7:
    * O T HG13  ILE  119 - QG2   ILE  119   2.55 +/- 0.30  97.276% * 99.6771% (1.00  10.0 10.00   5.75 256.71) = 100.000%  kept
          QG2   VAL  107 - QG2   ILE  119   6.78 +/- 0.96   1.291% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   ILE  119   5.91 +/- 0.74   1.187% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   ILE  119   7.63 +/- 0.52   0.163% *  0.0308% (0.31   1.0  1.00   0.02   3.58) =   0.000%
          HD3   LYS+ 112 - QG2   ILE  119   9.73 +/- 1.39   0.079% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   ILE  119  15.05 +/- 0.90   0.003% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   ILE  119  18.97 +/- 1.89   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   ILE  119  18.00 +/- 1.86   0.001% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1514 (1.02, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 256.7:
    *   T QD1   ILE  119 - QG2   ILE  119   1.98 +/- 0.24  99.986% * 99.8078% (0.97 10.00   5.75 256.71) = 100.000%  kept
          HB2   LEU  104 - QG2   ILE  119  10.59 +/- 1.51   0.008% *  0.0751% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   ILE  119  10.63 +/- 0.79   0.005% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  15.48 +/- 1.51   0.001% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1515 (3.69, 2.26, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.82, residual support = 251.2:
    * O T HA    ILE  119 - HG12  ILE  119   2.75 +/- 0.14  97.407% * 50.8167% (1.00  10.0 10.00   6.85 256.71) =  97.508%  kept
        T HA    THR  118 - HG12  ILE  119   5.07 +/- 0.15   2.580% * 49.0416% (0.97   1.0 10.00   5.52  36.89) =   2.492%  kept
          HA2   GLY  109 - HG12  ILE  119  12.75 +/- 0.95   0.011% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG12  ILE  119  19.22 +/- 0.98   0.001% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG12  ILE  119  21.41 +/- 1.45   0.001% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  18.21 +/- 0.96   0.001% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.92, residual support = 256.7:
    * O T HB    ILE  119 - HG12  ILE  119   2.66 +/- 0.14  99.877% * 98.6651% (0.87  10.0 10.00   5.92 256.71) = 100.000%  kept
          HB2   LYS+ 111 - HG12  ILE  119  10.00 +/- 1.05   0.043% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG12  ILE  119  15.76 +/- 0.97   0.003% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG12  ILE  119  10.13 +/- 1.23   0.047% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG12  ILE  119  11.81 +/- 1.10   0.017% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE  119  14.05 +/- 2.13   0.009% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  16.66 +/- 1.18   0.002% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  17.18 +/- 1.14   0.001% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG12  ILE  119  20.40 +/- 1.42   0.001% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  21.03 +/- 2.02   0.000% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG12  ILE  119  22.17 +/- 1.59   0.000% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  27.47 +/- 1.35   0.000% *  0.0284% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1517 (0.96, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.23, residual support = 256.7:
    * O T QG2   ILE  119 - HG12  ILE  119   3.15 +/- 0.11  98.308% * 99.7168% (1.00  10.0 10.00   6.23 256.71) = 100.000%  kept
          QD1   LEU   67 - HG12  ILE  119   8.06 +/- 2.22   1.353% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG12  ILE  119  13.71 +/- 2.92   0.143% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG12  ILE  119  13.08 +/- 1.46   0.024% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG12  ILE  119  11.03 +/- 1.79   0.108% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG12  ILE  119  11.33 +/- 1.34   0.056% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  119  15.70 +/- 1.28   0.007% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.23 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 = 5.47, residual support = 256.7:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  96.699% * 99.6771% (1.00  10.0 10.00   5.47 256.71) =  99.999%  kept
          QG1   VAL  107 - HG12  ILE  119   3.97 +/- 0.96   2.351% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  119   5.18 +/- 1.07   0.939% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   8.71 +/- 0.64   0.008% *  0.0308% (0.31   1.0  1.00   0.02   3.58) =   0.000%
          HD3   LYS+ 112 - HG12  ILE  119  10.26 +/- 1.45   0.004% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG12  ILE  119  17.52 +/- 0.75   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  21.40 +/- 1.95   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  19.77 +/- 2.17   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1520 (1.02, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.47, residual support = 256.7:
    * O T QD1   ILE  119 - HG12  ILE  119   2.15 +/- 0.01  99.978% * 99.8078% (0.97  10.0 10.00   5.47 256.71) = 100.000%  kept
          QG2   VAL  108 - HG12  ILE  119   9.77 +/- 0.92   0.014% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG12  ILE  119  11.30 +/- 1.72   0.007% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  16.42 +/- 1.47   0.001% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1521 (3.69, 1.12, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.0, residual support = 251.7:
    * O T HA    ILE  119 - HG13  ILE  119   3.09 +/- 0.55  97.589% * 50.8167% (1.00  10.0 10.00   6.04 256.71) =  97.714%  kept
        T HA    THR  118 - HG13  ILE  119   6.25 +/- 0.23   2.366% * 49.0416% (0.97   1.0 10.00   4.52  36.89) =   2.286%  kept
          HA2   GLY  109 - HG13  ILE  119  13.55 +/- 1.33   0.038% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG13  ILE  119  19.76 +/- 1.23   0.002% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG13  ILE  119  21.52 +/- 1.36   0.002% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  18.28 +/- 1.64   0.003% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.44, residual support = 256.7:
    * O T HB    ILE  119 - HG13  ILE  119   2.71 +/- 0.38  99.871% * 99.2403% (0.87  10.0 10.00   5.44 256.71) = 100.000%  kept
          HB3   PRO   68 - HG13  ILE  119  13.46 +/- 2.63   0.024% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG13  ILE  119  10.81 +/- 1.32   0.029% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG13  ILE  119  10.59 +/- 1.14   0.049% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG13  ILE  119  12.79 +/- 1.18   0.013% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG13  ILE  119  15.60 +/- 1.10   0.004% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  16.18 +/- 1.87   0.004% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  16.55 +/- 1.92   0.004% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG13  ILE  119  20.43 +/- 2.30   0.001% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  21.38 +/- 2.55   0.001% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG13  ILE  119  22.10 +/- 2.41   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  27.56 +/- 1.96   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 256.7:
    * O T QG2   ILE  119 - HG13  ILE  119   2.55 +/- 0.30  98.850% * 99.7168% (1.00  10.0 10.00   5.75 256.71) = 100.000%  kept
          QD1   LEU   67 - HG13  ILE  119   7.81 +/- 2.47   1.044% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  119  13.46 +/- 3.36   0.063% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG13  ILE  119  13.80 +/- 1.74   0.005% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG13  ILE  119  11.28 +/- 2.33   0.024% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG13  ILE  119  12.13 +/- 1.45   0.012% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  119  15.49 +/- 1.88   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.47, residual support = 256.7:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  99.983% * 99.4466% (1.00  10.0 10.00   5.47 256.71) = 100.000%  kept
          HB2   ASP- 105 - HG13  ILE  119   8.46 +/- 1.48   0.013% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG13  ILE  119  11.35 +/- 1.78   0.002% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG13  ILE  119  12.13 +/- 2.10   0.002% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  16.05 +/- 2.37   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  16.34 +/- 1.20   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  18.07 +/- 1.48   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  20.03 +/- 1.78   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  25.87 +/- 2.27   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  21.23 +/- 1.69   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  27.39 +/- 1.55   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 256.7:
    * O T QD1   ILE  119 - HG13  ILE  119   2.15 +/- 0.01  99.986% * 99.8078% (0.97  10.0 10.00   5.00 256.71) = 100.000%  kept
          QG2   VAL  108 - HG13  ILE  119  10.61 +/- 0.98   0.008% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG13  ILE  119  12.03 +/- 2.00   0.005% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  16.61 +/- 1.93   0.001% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1527 (3.69, 1.02, 16.06 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.02, residual support = 254.7:
    *   T HA    ILE  119 - QD1   ILE  119   3.46 +/- 0.53  95.862% * 81.8125% (0.97 10.00   6.04 256.71) =  99.106%  kept
          HA    THR  118 - QD1   ILE  119   6.14 +/- 0.20   3.966% * 17.8304% (0.93  1.00   4.52  36.89) =   0.894%  kept
          HA2   GLY  109 - QD1   ILE  119  11.17 +/- 0.91   0.131% *  0.0594% (0.70  1.00   0.02   0.02) =   0.000%
        T HA    VAL   75 - QD1   ILE  119  15.12 +/- 1.18   0.020% *  0.1433% (0.17 10.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QD1   ILE  119  16.56 +/- 1.22   0.011% *  0.0734% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD1   ILE  119  17.13 +/- 1.26   0.009% *  0.0811% (0.96  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1528 (2.03, 1.02, 16.06 ppm):
    12 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 256.7:
    * O T HB    ILE  119 - QD1   ILE  119   2.52 +/- 0.39  99.697% * 98.5836% (0.84  10.0 10.00   5.44 256.71) = 100.000%  kept
        T HB    VAL  108 - QD1   ILE  119  10.92 +/- 1.19   0.024% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE  119  11.42 +/- 2.01   0.084% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE  119   8.95 +/- 0.83   0.063% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QD1   ILE  119   8.35 +/- 0.97   0.100% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QD1   ILE  119  12.02 +/- 1.10   0.011% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  13.60 +/- 1.30   0.008% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   ILE  119  13.46 +/- 0.97   0.007% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD1   ILE  119  17.38 +/- 1.50   0.002% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD1   ILE  119  18.76 +/- 2.10   0.002% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QD1   ILE  119  18.70 +/- 1.69   0.001% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  23.12 +/- 1.46   0.000% *  0.0283% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 256.7:
    *   T QG2   ILE  119 - QD1   ILE  119   1.98 +/- 0.24  99.662% * 99.7168% (0.97 10.00   5.75 256.71) = 100.000%  kept
          QD2   LEU   71 - QD1   ILE  119  11.50 +/- 2.93   0.121% *  0.0865% (0.84  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD1   ILE  119   6.93 +/- 1.49   0.178% *  0.0197% (0.19  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119  10.14 +/- 1.81   0.027% *  0.0175% (0.17  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   ILE  119  12.13 +/- 1.36   0.003% *  0.0943% (0.91  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  10.85 +/- 1.30   0.006% *  0.0277% (0.27  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  12.50 +/- 1.19   0.003% *  0.0374% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1530 (2.26, 1.02, 16.06 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.47, residual support = 256.7:
    * O T HG12  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  99.898% * 99.4466% (0.97  10.0 10.00   5.47 256.71) = 100.000%  kept
          HB2   ASP- 105 - QD1   ILE  119   7.97 +/- 1.27   0.061% *  0.0307% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QD1   ILE  119   9.36 +/- 1.25   0.022% *  0.0643% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QD1   ILE  119  10.14 +/- 1.21   0.012% *  0.0760% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD1   ILE  119  13.10 +/- 1.19   0.002% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  13.52 +/- 1.53   0.002% *  0.0523% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  15.05 +/- 1.17   0.001% *  0.0831% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  16.65 +/- 1.30   0.001% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  21.86 +/- 1.59   0.000% *  0.0796% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  17.37 +/- 1.30   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  22.87 +/- 1.18   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1531 (1.12, 1.02, 16.06 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 5.0, residual support = 256.7:
    * O T HG13  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  95.060% * 99.6771% (0.97  10.0 10.00   5.00 256.71) =  99.999%  kept
          QG1   VAL  107 - QD1   ILE  119   4.48 +/- 0.90   2.455% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   ILE  119   4.90 +/- 1.17   2.386% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   ILE  119   7.96 +/- 1.53   0.076% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   ILE  119   8.86 +/- 0.54   0.021% *  0.0308% (0.30   1.0  1.00   0.02   3.58) =   0.000%
          QB    ALA   20 - QD1   ILE  119  14.18 +/- 0.80   0.001% *  0.0685% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  18.70 +/- 2.04   0.000% *  0.0995% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QD1   ILE  119  16.80 +/- 1.95   0.001% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1532 (1.02, 1.02, 16.06 ppm):
    1 diagonal assignment:
    *     QD1   ILE  119 - QD1   ILE  119  (0.93)  kept
 
    Peak 1533 (3.95, 3.95, 55.35 ppm):
    1 diagonal assignment:
    *     HA    ALA  120 - HA    ALA  120  (1.00)  kept
 
    Peak 1534 (1.48, 3.95, 55.35 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.49, residual support = 14.4:
    * O T QB    ALA  120 - HA    ALA  120   2.14 +/- 0.01  99.834% * 99.2082% (0.95  10.0 10.00   2.49  14.41) = 100.000%  kept
        T HD2   LYS+ 121 - HA    ALA  120   6.63 +/- 0.49   0.129% *  0.1618% (0.15   1.0 10.00   0.02   2.26) =   0.000%
          HG    LEU  115 - HA    ALA  120   9.49 +/- 0.82   0.016% *  0.0992% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ALA  120  11.30 +/- 2.08   0.009% *  0.0552% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA  120  10.39 +/- 0.66   0.008% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    ALA  120  14.19 +/- 1.50   0.002% *  0.2075% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    ALA  120  15.44 +/- 1.73   0.001% *  0.1046% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  14.46 +/- 1.67   0.001% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  21.10 +/- 0.96   0.000% *  0.0510% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  22.96 +/- 0.97   0.000% *  0.0262% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1535 (3.95, 1.48, 18.41 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.49, residual support = 14.4:
    * O T HA    ALA  120 - QB    ALA  120   2.14 +/- 0.01  95.741% * 99.3786% (0.95  10.0 10.00   2.49  14.41) =  99.997%  kept
          HA    LYS+ 121 - QB    ALA  120   3.89 +/- 0.03   2.711% *  0.0759% (0.72   1.0  1.00   0.02   2.26) =   0.002%
          QB    SER  117 - QB    ALA  120   4.33 +/- 0.27   1.544% *  0.0409% (0.39   1.0  1.00   0.02   6.39) =   0.001%
          HA    LYS+  65 - QB    ALA  120  13.31 +/- 1.01   0.002% *  0.0759% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  15.73 +/- 0.40   0.001% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  16.79 +/- 0.78   0.000% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  19.95 +/- 1.04   0.000% *  0.0683% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  21.12 +/- 0.81   0.000% *  0.0917% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  22.07 +/- 0.66   0.000% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  18.68 +/- 0.88   0.000% *  0.0197% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.957, support = 8.16, residual support = 307.9:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.92 +/- 0.07  55.366% * 91.1605% (1.00  10.0 10.00   8.32 314.85) =  95.393%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.11 +/- 0.52  42.593% *  5.7090% (0.06   1.0 10.00   4.75 164.85) =   4.596%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.36 +/- 0.81   1.991% *  0.2814% (0.31   1.0 10.00   0.02   2.19) =   0.011%
        T QD    LYS+  65 - HA    LYS+ 121  16.36 +/- 1.47   0.002% *  0.9096% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  15.98 +/- 1.41   0.003% *  0.4796% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  18.87 +/- 1.70   0.001% *  0.8176% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  16.20 +/- 1.53   0.002% *  0.2535% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  15.55 +/- 1.83   0.003% *  0.0572% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  13.89 +/- 1.61   0.006% *  0.0177% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.70 +/- 0.75   0.002% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  12.48 +/- 1.21   0.011% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  18.26 +/- 1.68   0.001% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.93 +/- 1.44   0.001% *  0.0513% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.26 +/- 0.47   0.016% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  21.03 +/- 1.35   0.000% *  0.0553% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.33 +/- 1.09   0.000% *  0.0894% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.78 +/- 0.99   0.000% *  0.0301% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  23.80 +/- 1.36   0.000% *  0.0159% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  18.27 +/- 0.93   0.001% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  23.77 +/- 1.11   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.36, residual support = 314.8:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.41 +/- 0.48  99.857% * 99.6412% (1.00  10.0 10.00   7.36 314.85) = 100.000%  kept
          QG2   VAL  107 - HA    LYS+ 121  10.11 +/- 1.03   0.030% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+ 121   8.93 +/- 0.18   0.066% *  0.0308% (0.31   1.0  1.00   0.02   3.58) =   0.000%
          HG13  ILE  103 - HA    LYS+ 121  14.44 +/- 1.21   0.004% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HA    LYS+  65  17.09 +/- 1.92   0.002% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65  13.05 +/- 1.14   0.011% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  11.56 +/- 1.74   0.022% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  13.48 +/- 0.79   0.005% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+ 121  22.30 +/- 0.80   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  22.75 +/- 1.55   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  20.21 +/- 1.21   0.001% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  21.10 +/- 1.49   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.77, residual support = 314.8:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.39 +/- 0.34  98.223% * 99.4380% (1.00  10.0 10.00   6.77 314.85) =  99.999%  kept
          QD2   LEU  123 - HA    LYS+ 121   7.07 +/- 0.11   1.374% *  0.0484% (0.49   1.0  1.00   0.02   2.19) =   0.001%
          QD1   ILE   56 - HA    LYS+ 121  12.16 +/- 0.91   0.059% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+ 121  16.42 +/- 1.12   0.010% *  0.3392% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+  65  10.82 +/- 0.74   0.109% *  0.0213% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65  10.62 +/- 1.44   0.167% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LYS+  65  17.33 +/- 2.02   0.008% *  0.0624% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  12.66 +/- 0.61   0.046% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 121  23.07 +/- 1.58   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  20.47 +/- 1.53   0.002% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1541 (1.50, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.412, support = 7.81, residual support = 298.8:
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.56 +/- 0.27  54.619% * 21.3664% (0.31  10.0 10.00   8.21 314.85) =  70.623%  kept
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.95 +/- 0.36   4.476% * 69.2258% (1.00   1.0 10.00   7.74 314.85) =  18.752%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.85 +/- 0.66  40.409% *  4.3065% (0.06  10.0 10.00   5.27 164.85) =  10.531%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.91 +/- 0.79   0.445% *  3.4792% (0.05   1.0 10.00   5.46  26.12) =   0.094%
        T QD    LYS+  66 - HA    LYS+ 121  10.76 +/- 2.09   0.023% *  0.5543% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    LYS+ 121  17.18 +/- 1.71   0.001% *  0.6861% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  11.26 +/- 1.12   0.008% *  0.0214% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  15.97 +/- 2.32   0.001% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.05 +/- 1.09   0.002% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.66 +/- 0.82   0.004% *  0.0086% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  14.03 +/- 1.51   0.002% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  21.29 +/- 1.31   0.000% *  0.1370% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.26 +/- 2.25   0.001% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.96 +/- 0.89   0.003% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  22.14 +/- 0.96   0.000% *  0.0529% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.83 +/- 0.94   0.000% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.92 +/- 1.11   0.001% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.27 +/- 1.05   0.004% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.66 +/- 1.68   0.000% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.70 +/- 1.38   0.000% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1542 (2.75, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.981, support = 6.59, residual support = 283.7:
    *     QE    LYS+ 121 - HA    LYS+ 121   4.29 +/- 0.77  83.449% * 58.8131% (1.00   6.72 314.85) =  88.212%  kept
          HB3   HIS  122 - HA    LYS+ 121   5.96 +/- 0.37  16.025% * 40.9270% (0.84   5.60  50.89) =  11.788%  kept
          HB3   HIS  122 - HA    LYS+  65  11.21 +/- 1.75   0.407% *  0.0092% (0.05   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    LYS+  65  15.56 +/- 2.20   0.081% *  0.0110% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+ 121  24.73 +/- 1.41   0.003% *  0.1202% (0.69   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  17.45 +/- 1.39   0.026% *  0.0075% (0.04   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+ 121  27.81 +/- 1.52   0.001% *  0.0784% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  30.40 +/- 1.24   0.001% *  0.0270% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  24.51 +/- 1.22   0.003% *  0.0049% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  23.94 +/- 1.38   0.004% *  0.0017% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1543 (3.94, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 8.32, residual support = 314.8:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.92 +/- 0.07  94.791% * 99.1042% (1.00  10.0 10.00   8.32 314.85) =  99.996%  kept
          QB    SER  117 - HB2   LYS+ 121   5.41 +/- 0.86   3.252% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA  120 - HB2   LYS+ 121   5.63 +/- 0.25   1.914% *  0.0757% (0.76   1.0  1.00   0.02   2.26) =   0.002%
        T HA    LYS+  65 - HB2   LYS+ 121  15.55 +/- 1.83   0.005% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   LYS+ 121  11.55 +/- 1.23   0.031% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LYS+ 121  15.72 +/- 0.94   0.004% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  18.90 +/- 1.66   0.002% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LYS+ 121  23.88 +/- 1.38   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LYS+ 121  24.04 +/- 1.33   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  23.05 +/- 1.00   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 314.8:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.93 +/- 0.11  98.987% * 99.7211% (1.00  10.0 10.00   7.70 314.85) =  99.999%  kept
          QG2   VAL  107 - HB2   LYS+ 121   8.03 +/- 0.97   0.508% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LYS+ 121   7.22 +/- 0.42   0.479% *  0.0308% (0.31   1.0  1.00   0.02   3.58) =   0.000%
          HG13  ILE  103 - HB2   LYS+ 121  12.23 +/- 1.17   0.023% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LYS+ 121  20.47 +/- 0.87   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   LYS+ 121  20.82 +/- 1.52   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1546 (0.80, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.13, residual support = 314.8:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.74 +/- 0.20  99.771% * 99.0974% (1.00  10.0 10.00   7.13 314.85) =  99.999%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   8.05 +/- 0.18   0.170% *  0.4824% (0.49   1.0 10.00   0.02   2.19) =   0.001%
          QD1   ILE   56 - HB2   LYS+ 121  10.45 +/- 1.06   0.053% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HB2   LYS+ 121  14.65 +/- 1.17   0.005% *  0.3380% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB2   LYS+ 121  20.94 +/- 1.53   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1547 (1.50, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.626, support = 8.47, residual support = 314.8:
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  79.261% * 23.0703% (0.31  10.0 10.00   8.68 314.85) =  54.129%  kept
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.34 +/- 0.55  20.731% * 74.7463% (1.00  10.0 10.00   8.23 314.85) =  45.871%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  10.72 +/- 2.18   0.003% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.09 +/- 1.83   0.000% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121   9.97 +/- 1.38   0.003% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.82 +/- 1.02   0.000% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.09 +/- 1.22   0.001% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  12.96 +/- 1.40   0.001% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.93 +/- 1.41   0.000% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  21.01 +/- 0.88   0.000% *  0.0721% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1548 (2.75, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.988, support = 7.09, residual support = 295.5:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.61 +/- 0.36  90.048% * 58.2045% (1.00   7.17 314.85) =  92.684%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.46 +/- 0.55   9.949% * 41.5862% (0.84   6.13  50.89) =   7.316%  kept
          HG2   GLN   30 - HB2   LYS+ 121  22.65 +/- 1.34   0.002% *  0.1115% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 121  25.60 +/- 1.46   0.001% *  0.0728% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+ 121  27.73 +/- 1.26   0.001% *  0.0250% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.47 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 = 7.36, residual support = 314.8:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.41 +/- 0.48  98.871% * 99.1042% (1.00  10.0 10.00   7.36 314.85) =  99.999%  kept
          QB    SER  117 - HG2   LYS+ 121   6.46 +/- 1.56   0.607% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HG2   LYS+ 121   6.63 +/- 0.37   0.508% *  0.0757% (0.76   1.0  1.00   0.02   2.26) =   0.000%
        T HA    LYS+  65 - HG2   LYS+ 121  17.09 +/- 1.92   0.002% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG2   LYS+ 121  13.81 +/- 1.32   0.009% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+ 121  17.67 +/- 1.29   0.001% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  20.11 +/- 1.95   0.001% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  25.88 +/- 1.58   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  26.36 +/- 1.71   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  24.32 +/- 1.31   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.7, residual support = 314.8:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.93 +/- 0.11  99.462% * 99.4783% (1.00  10.0 10.00   7.70 314.85) = 100.000%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.25 +/- 0.76   0.511% *  0.0307% (0.31   1.0  1.00   0.02   2.19) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 121  14.47 +/- 1.56   0.009% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG2   LYS+ 121  17.07 +/- 1.64   0.003% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 121  17.86 +/- 2.24   0.003% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  16.05 +/- 1.96   0.006% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 121  17.06 +/- 1.02   0.003% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  18.10 +/- 2.13   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  20.72 +/- 1.48   0.001% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  25.17 +/- 1.47   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 314.8:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  99.991% * 99.3314% (1.00  10.0 10.00   6.31 314.85) = 100.000%  kept
          QD2   LEU  123 - HG2   LYS+ 121   8.54 +/- 0.20   0.008% *  0.0483% (0.49   1.0  1.00   0.02   2.19) =   0.000%
        T QD2   LEU   73 - HG2   LYS+ 121  15.83 +/- 1.29   0.000% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  12.37 +/- 1.00   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   31 - HG2   LYS+ 121  21.81 +/- 1.81   0.000% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.71 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 = 0.843, support = 7.23, residual support = 314.8:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.77 +/- 0.20  51.126% * 75.5250% (1.00  10.0 10.00   7.13 314.85) =  77.243%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.79 +/- 0.13  48.803% * 23.3106% (0.31  10.0 10.00   7.60 314.85) =  22.757%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  11.81 +/- 2.15   0.014% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   LYS+ 121   9.68 +/- 1.48   0.045% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG2   LYS+ 121  13.93 +/- 1.31   0.004% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  13.25 +/- 1.83   0.006% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+ 121  17.85 +/- 1.90   0.001% *  0.0749% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG2   LYS+ 121  21.06 +/- 1.56   0.000% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG2   LYS+ 121  22.13 +/- 1.33   0.000% *  0.0729% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  21.76 +/- 1.31   0.000% *  0.0577% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1554 (2.75, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 6.3, residual support = 313.2:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.66 +/- 0.49  96.974% * 83.0244% (1.00  10.0   6.31 314.85) =  99.370%  kept
          HB3   HIS  122 - HG2   LYS+ 121   6.40 +/- 1.25   3.026% * 16.8685% (0.84   1.0   4.86  50.89) =   0.630%  kept
          HG2   GLN   30 - HG2   LYS+ 121  23.84 +/- 1.84   0.000% *  0.0570% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG2   LYS+ 121  26.50 +/- 1.43   0.000% *  0.0372% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  29.78 +/- 1.44   0.000% *  0.0128% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 6.77, residual support = 314.8:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.39 +/- 0.34  95.607% * 98.4706% (1.00  10.0 10.00   6.77 314.85) =  99.997%  kept
          QB    SER  117 - HG3   LYS+ 121   6.46 +/- 1.03   2.633% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - HG3   LYS+ 121   7.62 +/- 0.20   0.819% *  0.0753% (0.76   1.0  1.00   0.02   2.26) =   0.001%
        T HA    LYS+  65 - QD2   LEU   73  10.82 +/- 0.74   0.106% *  0.1145% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD2   LEU   73  10.51 +/- 1.53   0.247% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD2   LEU   73  16.42 +/- 1.12   0.009% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD2   LEU   73   9.94 +/- 0.99   0.188% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 121  17.33 +/- 2.02   0.008% *  0.3359% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD2   LEU   73   9.61 +/- 0.84   0.261% *  0.0093% (0.09   1.0  1.00   0.02   2.10) =   0.000%
          HA    PHE   60 - HG3   LYS+ 121  13.59 +/- 1.38   0.031% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD2   LEU   73  14.03 +/- 1.05   0.027% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 121  16.68 +/- 1.36   0.009% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  14.03 +/- 0.94   0.026% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD2   LEU   73  15.71 +/- 0.93   0.012% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  16.54 +/- 1.09   0.009% *  0.0257% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  18.76 +/- 1.20   0.004% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  20.24 +/- 2.05   0.003% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  25.28 +/- 1.55   0.001% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG3   LYS+ 121  26.02 +/- 1.37   0.001% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  23.24 +/- 1.35   0.001% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1556 (1.66, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 7.13, residual support = 314.8:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.74 +/- 0.20  99.079% * 98.6953% (1.00  10.0 10.00   7.13 314.85) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.38 +/- 0.67   0.154% *  0.3046% (0.31   1.0 10.00   0.02   2.19) =   0.000%
          HD2   LYS+  74 - QD2   LEU   73   6.80 +/- 0.91   0.629% *  0.0204% (0.21   1.0  1.00   0.02  38.85) =   0.000%
        T HB2   LYS+ 121 - QD2   LEU   73  14.65 +/- 1.17   0.005% *  0.3366% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU   73  10.53 +/- 0.96   0.038% *  0.0330% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD2   LEU   73  11.43 +/- 0.81   0.022% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  13.37 +/- 1.42   0.010% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU   73  12.43 +/- 0.77   0.013% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+ 121  17.39 +/- 1.66   0.002% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD2   LEU   73  11.83 +/- 0.98   0.018% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 121  17.38 +/- 1.76   0.002% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  15.62 +/- 1.98   0.005% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.60 +/- 0.87   0.008% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  17.60 +/- 1.92   0.002% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.50 +/- 1.32   0.006% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  16.98 +/- 0.96   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  20.21 +/- 1.61   0.001% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  24.07 +/- 1.48   0.000% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  17.03 +/- 1.58   0.002% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  19.98 +/- 1.82   0.001% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1557 (1.15, 0.80, 24.39 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 314.8:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  99.891% * 98.9593% (1.00  10.0 10.00   6.31 314.85) = 100.000%  kept
          QG2   VAL  107 - HG3   LYS+ 121   9.35 +/- 1.34   0.026% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD2   LEU   73   6.18 +/- 0.42   0.057% *  0.0270% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QD2   LEU   73   7.80 +/- 0.69   0.015% *  0.0938% (0.09   1.0 10.00   0.02   1.37) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.64 +/- 0.42   0.004% *  0.0305% (0.31   1.0  1.00   0.02   3.58) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  11.50 +/- 1.37   0.002% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   73  10.77 +/- 1.08   0.002% *  0.0312% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - QD2   LEU   73  15.83 +/- 1.29   0.000% *  0.3375% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  10.93 +/- 0.99   0.002% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - HG3   LYS+ 121  20.41 +/- 1.49   0.000% *  0.2751% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  13.11 +/- 2.00   0.001% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  21.51 +/- 1.30   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.649, support = 6.76, residual support = 314.8:
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.37 +/- 0.19  75.767% * 23.1874% (0.31  10.0 10.00   6.93 314.85) =  50.721%  kept
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.92 +/- 0.10  22.720% * 75.1260% (1.00  10.0 10.00   6.59 314.85) =  49.278%  kept
          QG2   THR   26 - QD2   LEU   73   5.41 +/- 0.81   0.871% *  0.0247% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QD2   LEU   73   5.86 +/- 0.55   0.425% *  0.0196% (0.26   1.0  1.00   0.02  38.85) =   0.000%
        T HD3   LYS+  74 - QD2   LEU   73   7.92 +/- 0.75   0.070% *  0.0507% (0.07   1.0 10.00   0.02  38.85) =   0.000%
        T QD    LYS+  66 - HG3   LYS+ 121  12.37 +/- 2.20   0.006% *  0.6016% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG3   LYS+ 121   8.59 +/- 1.24   0.052% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD2   LEU   73  12.77 +/- 0.53   0.003% *  0.2051% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD2   LEU   73  14.55 +/- 1.81   0.002% *  0.2562% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   8.03 +/- 0.84   0.061% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU   73  11.41 +/- 1.23   0.008% *  0.0254% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD2   LEU   73  15.15 +/- 1.42   0.001% *  0.0791% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  12.80 +/- 1.43   0.004% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  13.51 +/- 1.47   0.003% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  11.95 +/- 1.09   0.005% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 121  18.08 +/- 1.98   0.000% *  0.0745% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG3   LYS+ 121  20.59 +/- 1.63   0.000% *  0.1487% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 121  21.51 +/- 1.27   0.000% *  0.0725% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  21.21 +/- 1.42   0.000% *  0.0574% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  17.53 +/- 2.10   0.001% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1560 (2.75, 0.80, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 314.8:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.60 +/- 0.47  89.432% * 99.6820% (1.00  10.0   6.00 314.85) =  99.997%  kept
          HG2   GLN   30 - QD2   LEU   73   4.59 +/- 1.07   9.974% *  0.0233% (0.23   1.0   0.02   4.25) =   0.003%
          HB3   HIS  122 - HG3   LYS+ 121   6.86 +/- 0.96   0.515% *  0.0833% (0.84   1.0   0.02  50.89) =   0.000%
          HB3   ASN   28 - QD2   LEU   73   9.72 +/- 0.49   0.051% *  0.0152% (0.15   1.0   0.02   0.38) =   0.000%
          QE    LYS+ 121 - QD2   LEU   73  13.42 +/- 1.86   0.010% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - QD2   LEU   73  12.83 +/- 1.18   0.011% *  0.0284% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  14.09 +/- 1.02   0.006% *  0.0052% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HG3   LYS+ 121  23.10 +/- 1.76   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG3   LYS+ 121  25.44 +/- 1.48   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  29.01 +/- 1.44   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1561 (3.94, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.983, support = 7.57, residual support = 299.7:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.95 +/- 0.36  52.584% * 54.9501% (1.00 10.00   7.74 314.85) =  95.098%  kept
        T HA    ALA  120 - HD2   LYS+ 121   6.63 +/- 0.49   3.031% * 41.9944% (0.76 10.00   4.20   2.26) =   4.189%  kept
        T HA    LYS+  65 - QD    LYS+  66   5.91 +/- 0.79   8.671% *  2.3308% (0.04 10.00   5.46  26.12) =   0.665%  kept
          QB    SER  117 - HD2   LYS+ 121   5.51 +/- 2.13  30.338% *  0.0459% (0.84  1.00   0.02   0.02) =   0.046%
        T HA    LYS+ 121 - QD    LYS+  66  10.76 +/- 2.09   0.201% *  0.0683% (0.12 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  66   7.79 +/- 1.96   2.475% *  0.0052% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 121  15.97 +/- 2.32   0.021% *  0.1874% (0.34 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+  74   8.24 +/- 0.71   0.874% *  0.0024% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD2   LYS+ 121  11.81 +/- 1.45   0.119% *  0.0153% (0.28  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+  74  12.66 +/- 0.82   0.060% *  0.0292% (0.05 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+  74  10.31 +/- 0.90   0.213% *  0.0081% (0.15  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  66   9.65 +/- 1.40   0.612% *  0.0028% (0.05  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+  74  10.36 +/- 0.98   0.191% *  0.0085% (0.15  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 121  15.54 +/- 1.51   0.019% *  0.0545% (0.99  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.43 +/- 0.91   0.393% *  0.0019% (0.03  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  12.08 +/- 1.57   0.083% *  0.0057% (0.10  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  13.93 +/- 1.20   0.035% *  0.0085% (0.15  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+  74  21.29 +/- 1.31   0.002% *  0.0857% (0.16 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 121  19.13 +/- 2.49   0.007% *  0.0226% (0.41  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  14.01 +/- 0.82   0.032% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 121  23.83 +/- 1.72   0.001% *  0.0520% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 121  24.12 +/- 1.83   0.001% *  0.0545% (0.99  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  17.97 +/- 1.20   0.007% *  0.0072% (0.13  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  18.29 +/- 1.39   0.006% *  0.0068% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  22.69 +/- 1.44   0.002% *  0.0226% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  16.67 +/- 0.71   0.011% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  19.83 +/- 1.32   0.004% *  0.0066% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  66  21.58 +/- 1.15   0.002% *  0.0068% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  66  21.58 +/- 1.25   0.002% *  0.0065% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  25.03 +/- 1.12   0.001% *  0.0028% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1562 (1.66, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.76, support = 6.93, residual support = 280.9:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.34 +/- 0.55  20.609% * 87.6744% (1.00  10.0 10.00   8.23 314.85) =  73.454%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  78.730% *  8.2944% (0.09  10.0  1.00   3.34 186.82) =  26.546%  kept
        T QD    LYS+  65 - QD    LYS+  66   6.01 +/- 0.82   0.083% *  0.1088% (0.12   1.0 10.00   0.02  26.12) =   0.000%
          HB2   LEU  123 - QD    LYS+  66   7.46 +/- 2.13   0.530% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD2   LYS+ 121   7.78 +/- 1.04   0.014% *  0.0271% (0.31   1.0  1.00   0.02   2.19) =   0.000%
        T HB2   LYS+ 121 - QD    LYS+  66  10.72 +/- 2.18   0.003% *  0.1090% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   LYS+ 121  16.02 +/- 1.95   0.000% *  0.8748% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD2   LYS+ 121  14.59 +/- 1.55   0.000% *  0.4613% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD3   LYS+  74  11.79 +/- 1.11   0.001% *  0.1364% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD2   LYS+ 121  14.47 +/- 2.37   0.001% *  0.2438% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+  74   7.53 +/- 1.12   0.025% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   LYS+ 121  18.20 +/- 2.61   0.000% *  0.7863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HD2   LYS+ 121  18.64 +/- 1.76   0.000% *  0.5318% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  18.93 +/- 1.41   0.000% *  0.1368% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  15.88 +/- 2.27   0.000% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QD    LYS+  66  18.44 +/- 1.32   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74  11.38 +/- 1.31   0.001% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  15.35 +/- 1.07   0.000% *  0.0271% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  13.66 +/- 0.94   0.000% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  11.41 +/- 1.07   0.001% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  19.90 +/- 1.54   0.000% *  0.0574% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  22.89 +/- 0.78   0.000% *  0.1226% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  19.40 +/- 2.03   0.000% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  22.15 +/- 1.07   0.000% *  0.0719% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  15.17 +/- 1.18   0.000% *  0.0066% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  23.29 +/- 1.58   0.000% *  0.0859% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  20.39 +/- 1.06   0.000% *  0.0380% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  16.81 +/- 1.69   0.000% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  21.00 +/- 1.83   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  24.25 +/- 1.31   0.000% *  0.0107% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1563 (1.15, 1.50, 29.95 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 7.13, residual support = 314.8:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.77 +/- 0.20  97.345% * 99.3656% (1.00  10.0 10.00   7.13 314.85) =  99.999%  kept
          QG2   VAL  107 - HD2   LYS+ 121   8.13 +/- 1.47   1.335% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HD2   LYS+ 121   7.78 +/- 1.06   0.282% *  0.0307% (0.31   1.0  1.00   0.02   3.58) =   0.000%
          QB    ALA   20 - HD3   LYS+  74   6.78 +/- 0.44   0.516% *  0.0124% (0.12   1.0  1.00   0.02   8.12) =   0.000%
        T HG2   LYS+ 121 - QD    LYS+  66  11.81 +/- 2.15   0.028% *  0.1236% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD    LYS+  66   8.23 +/- 1.86   0.383% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   LYS+ 121  11.86 +/- 1.61   0.027% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  10.87 +/- 1.12   0.036% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  11.44 +/- 1.51   0.029% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HD3   LYS+  74  21.06 +/- 1.56   0.001% *  0.1550% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HD2   LYS+ 121  20.39 +/- 1.59   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  14.16 +/- 1.81   0.007% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  15.95 +/- 0.86   0.003% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  20.48 +/- 2.04   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  17.53 +/- 0.91   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  18.14 +/- 1.59   0.002% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  17.97 +/- 0.74   0.001% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  21.38 +/- 0.98   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 314.8:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.92 +/- 0.10  86.979% * 99.1222% (1.00  10.0 10.00   6.59 314.85) =  99.999%  kept
          QD2   LEU  123 - QD    LYS+  66   5.00 +/- 1.51  12.370% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU   73 - HD3   LYS+  74   7.92 +/- 0.75   0.276% *  0.0527% (0.05   1.0 10.00   0.02  38.85) =   0.000%
          QD2   LEU  123 - HD2   LYS+ 121   8.68 +/- 0.66   0.149% *  0.0482% (0.49   1.0  1.00   0.02   2.19) =   0.000%
          QD1   ILE   56 - HD2   LYS+ 121  10.65 +/- 1.16   0.064% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD    LYS+  66  12.37 +/- 2.20   0.023% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD2   LYS+ 121  14.55 +/- 1.81   0.008% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD    LYS+  66  12.77 +/- 0.53   0.013% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HD3   LYS+  74  10.40 +/- 1.04   0.058% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  10.79 +/- 1.34   0.053% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HD3   LYS+  74  20.59 +/- 1.63   0.001% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  20.60 +/- 2.15   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  17.59 +/- 1.44   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  15.94 +/- 0.79   0.003% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  21.18 +/- 0.95   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1565 (1.50, 1.50, 29.95 ppm):
    3 diagonal assignments:
    *     HD2   LYS+ 121 - HD2   LYS+ 121  (1.00)  kept
          QD    LYS+  66 - QD    LYS+  66  (0.10)  kept
          HD3   LYS+  74 - HD3   LYS+  74  (0.03)  kept
 
    Peak 1566 (2.75, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 0.998, support = 6.52, residual support = 311.6:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.31 +/- 0.14  93.174% * 82.5515% (1.00  10.0  1.00   6.54 314.85) =  98.758%  kept
          HB3   HIS  122 - HD2   LYS+ 121   5.92 +/- 1.97   5.822% * 16.6163% (0.84   1.0  1.00   4.82  50.89) =   1.242%  kept
          HB3   HIS  122 - QD    LYS+  66   6.93 +/- 2.31   0.981% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD3   LYS+  74  12.87 +/- 0.49   0.003% *  0.0884% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD    LYS+  66  11.37 +/- 2.06   0.009% *  0.0103% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD2   LYS+ 121  22.41 +/- 2.35   0.000% *  0.5671% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - QD    LYS+  66  19.78 +/- 0.96   0.000% *  0.0705% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  11.46 +/- 1.04   0.008% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  17.39 +/- 1.31   0.001% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  17.99 +/- 1.53   0.001% *  0.0129% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  25.22 +/- 1.79   0.000% *  0.0370% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  18.43 +/- 0.59   0.000% *  0.0058% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  27.54 +/- 1.56   0.000% *  0.0127% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  25.20 +/- 0.77   0.000% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  25.09 +/- 1.11   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1567 (4.88, 4.88, 56.57 ppm):
    1 diagonal assignment:
    *     HA    HIS  122 - HA    HIS  122  (1.00)  kept
 
    Peak 1568 (3.45, 4.88, 56.57 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 68.7:
    * O T HB2   HIS  122 - HA    HIS  122   2.56 +/- 0.23  99.997% * 99.8210% (1.00  10.0 10.00   2.76  68.74) = 100.000%  kept
          HA    LYS+ 112 - HA    HIS  122  15.84 +/- 0.59   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  20.48 +/- 1.13   0.001% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1569 (2.76, 4.88, 56.57 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 3.53, residual support = 68.4:
    * O T HB3   HIS  122 - HA    HIS  122   2.79 +/- 0.26  88.371% * 87.6839% (1.00  10.0 10.00   3.54  68.74) =  98.197%  kept
          QE    LYS+ 121 - HA    HIS  122   5.68 +/- 1.85  11.628% * 12.2348% (0.84   1.0  1.00   3.34  50.89) =   1.803%  kept
          HG2   GLN   30 - HA    HIS  122  21.94 +/- 1.64   0.000% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    HIS  122  25.74 +/- 1.73   0.000% *  0.0154% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  29.56 +/- 1.30   0.000% *  0.0360% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 68.7:
    * O T HA    HIS  122 - HB2   HIS  122   2.56 +/- 0.23  99.989% * 99.8702% (1.00  10.0 10.00   2.76  68.74) = 100.000%  kept
          HA    VAL   41 - HB2   HIS  122  13.28 +/- 1.84   0.010% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   HIS  122  18.27 +/- 0.98   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  21.54 +/- 1.22   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.42, residual support = 68.7:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  99.725% * 99.8240% (1.00  10.0 10.00   3.42  68.74) = 100.000%  kept
          QE    LYS+ 121 - HB2   HIS  122   6.86 +/- 2.06   0.275% *  0.0834% (0.84   1.0  1.00   0.02  50.89) =   0.000%
          HG2   GLN   30 - HB2   HIS  122  20.50 +/- 1.60   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  27.96 +/- 1.38   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  24.80 +/- 1.90   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1573 (4.88, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.54, residual support = 68.7:
    * O T HA    HIS  122 - HB3   HIS  122   2.79 +/- 0.26  99.983% * 99.8702% (1.00  10.0 10.00   3.54  68.74) = 100.000%  kept
          HA    VAL   41 - HB3   HIS  122  13.42 +/- 1.88   0.014% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB3   HIS  122  17.81 +/- 0.91   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  20.84 +/- 1.16   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 68.7:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00 100.000% * 99.8210% (1.00  10.0 10.00   3.42  68.74) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  14.41 +/- 0.82   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  18.28 +/- 1.04   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 200.3:
    * O T HB2   LEU  123 - HA    LEU  123   2.87 +/- 0.24  99.681% * 98.5720% (1.00  10.0 10.00   6.10 200.31) = 100.000%  kept
        T QD    LYS+  99 - HA    LEU  123  12.47 +/- 1.85   0.023% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LEU  123   7.84 +/- 0.11   0.263% *  0.0304% (0.31   1.0  1.00   0.02   2.19) =   0.000%
        T QD    LYS+ 106 - HA    LEU  123  15.93 +/- 1.14   0.004% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LEU  123  12.37 +/- 1.57   0.023% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  19.63 +/- 1.72   0.001% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  19.58 +/- 0.92   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU  123  20.01 +/- 1.32   0.001% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    LEU  123  19.38 +/- 2.28   0.002% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  20.56 +/- 1.96   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  22.67 +/- 1.13   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  28.37 +/- 1.29   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1578 (1.63, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.5, residual support = 200.3:
    * O T HB3   LEU  123 - HA    LEU  123   2.67 +/- 0.16  99.995% * 99.6484% (1.00  10.0 10.00   5.50 200.31) = 100.000%  kept
          QB    ALA   57 - HA    LEU  123  15.83 +/- 0.90   0.003% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LEU  123  20.16 +/- 1.12   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LEU  123  22.07 +/- 2.63   0.000% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  20.42 +/- 1.76   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  24.48 +/- 1.38   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1579 (1.85, 4.38, 55.67 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 200.3:
    * O T HG    LEU  123 - HA    LEU  123   3.57 +/- 0.51  86.479% * 98.6685% (0.69  10.0 10.00   5.42 200.31) =  99.991%  kept
          HG3   PRO   68 - HA    LEU  123   9.61 +/- 3.27   3.862% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.006%
          QB    LYS+  66 - HA    LEU  123   6.01 +/- 1.41   9.513% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HA    LEU  123  11.61 +/- 0.97   0.096% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HA    LEU  123  17.08 +/- 1.43   0.009% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  123  15.29 +/- 0.75   0.018% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  123  19.34 +/- 1.28   0.004% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU  123  18.82 +/- 2.10   0.008% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  123  18.85 +/- 1.39   0.005% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  123  22.15 +/- 1.97   0.002% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LEU  123  23.96 +/- 1.29   0.001% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU  123  24.24 +/- 1.49   0.001% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  28.20 +/- 1.40   0.000% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  29.45 +/- 1.07   0.000% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.27 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 200.3:
    *   T QD1   LEU  123 - HA    LEU  123   2.34 +/- 0.61  99.075% * 99.6081% (1.00 10.00   6.05 200.31) =  99.999%  kept
          QG1   VAL   70 - HA    LEU  123   9.43 +/- 1.79   0.284% *  0.0919% (0.92  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  123  14.28 +/- 3.54   0.160% *  0.0996% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  123  10.10 +/- 1.68   0.465% *  0.0340% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU  123  12.90 +/- 1.28   0.013% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  123  16.70 +/- 1.05   0.003% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 200.3:
    *   T QD2   LEU  123 - HA    LEU  123   2.68 +/- 0.22  99.907% * 99.9316% (1.00 10.00   4.75 200.31) = 100.000%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.24 +/- 0.40   0.081% *  0.0486% (0.49  1.00   0.02   2.19) =   0.000%
          HB3   LEU  104 - HA    LEU  123  12.90 +/- 1.28   0.012% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 200.3:
    * O T HA    LEU  123 - HB2   LEU  123   2.87 +/- 0.24  99.964% * 98.7431% (1.00  10.0 10.00   6.10 200.31) = 100.000%  kept
        T HA    LYS+  99 - HB2   LEU  123  17.07 +/- 1.86   0.003% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LEU  123  12.33 +/- 0.74   0.019% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU  123  15.52 +/- 1.24   0.004% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU  123  14.90 +/- 1.56   0.006% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   LEU  123  17.45 +/- 2.13   0.003% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  20.13 +/- 2.10   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  25.13 +/- 2.28   0.000% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  25.89 +/- 2.34   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.42, residual support = 200.3:
    * O T HG    LEU  123 - HB2   LEU  123   2.34 +/- 0.18  99.675% * 97.8726% (0.69  10.0 10.00   5.42 200.31) = 100.000%  kept
          HG3   PRO   68 - HB2   LEU  123  11.85 +/- 3.54   0.070% *  0.1315% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   LEU  123   7.24 +/- 1.42   0.241% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HB2   LEU  123  14.65 +/- 0.72   0.002% *  0.7496% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LEU  123  11.22 +/- 0.94   0.009% *  0.1190% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LEU  123  19.70 +/- 1.99   0.000% *  0.3962% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  19.15 +/- 1.10   0.000% *  0.1278% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  16.13 +/- 1.35   0.001% *  0.0250% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  18.88 +/- 1.22   0.000% *  0.0586% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LEU  123  23.30 +/- 1.45   0.000% *  0.1236% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   LEU  123  23.05 +/- 1.49   0.000% *  0.0979% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   LEU  123  23.56 +/- 1.94   0.000% *  0.1035% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  27.36 +/- 1.54   0.000% *  0.0922% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  29.26 +/- 1.13   0.000% *  0.0807% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 200.3:
    * O T QD1   LEU  123 - HB2   LEU  123   2.77 +/- 0.20  99.167% * 99.6081% (1.00  10.0 10.00   5.95 200.31) = 100.000%  kept
          HB3   LEU   63 - HB2   LEU  123  10.61 +/- 2.15   0.628% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  123  15.50 +/- 3.72   0.101% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB2   LEU  123  10.81 +/- 1.86   0.090% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU  123  12.90 +/- 1.05   0.012% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  123  17.43 +/- 1.36   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.85, residual support = 200.3:
    * O T QD2   LEU  123 - HB2   LEU  123   2.93 +/- 0.36  99.717% * 99.4960% (1.00  10.0 10.00   4.85 200.31) =  99.999%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.38 +/- 0.67   0.264% *  0.4843% (0.49   1.0 10.00   0.02   2.19) =   0.001%
          HB3   LEU  104 - HB2   LEU  123  12.90 +/- 1.05   0.019% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 200.3:
    * O T HA    LEU  123 - HG    LEU  123   3.57 +/- 0.51  99.763% * 99.5102% (0.69  10.0 10.00   5.42 200.31) = 100.000%  kept
          HA    ASP- 113 - HG    LEU  123  11.57 +/- 0.71   0.116% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU  123  14.18 +/- 1.04   0.037% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG    LEU  123  13.40 +/- 1.23   0.058% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  123  18.10 +/- 1.93   0.010% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU  123  18.31 +/- 2.04   0.010% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  19.95 +/- 1.76   0.005% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU  123  26.04 +/- 2.10   0.001% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  25.84 +/- 2.03   0.001% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1595 (1.68, 1.85, 26.16 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 200.3:
    * O T HB2   LEU  123 - HG    LEU  123   2.34 +/- 0.18  99.904% * 96.6014% (0.69  10.0 10.00   5.42 200.31) = 100.000%  kept
          HB2   LYS+ 121 - HG    LEU  123   7.70 +/- 0.57   0.082% *  0.0298% (0.21   1.0  1.00   0.02   2.19) =   0.000%
        T QD    LYS+  65 - HG    LEU  123  12.50 +/- 1.50   0.007% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG    LEU  123  17.07 +/- 1.15   0.001% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG    LEU  123  18.10 +/- 1.24   0.001% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG    LEU  123  20.86 +/- 1.45   0.000% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG    LEU  123  14.56 +/- 1.76   0.003% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  15.63 +/- 1.15   0.001% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  20.99 +/- 1.11   0.000% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  21.33 +/- 1.86   0.000% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  21.81 +/- 2.11   0.000% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  28.42 +/- 1.20   0.000% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1596 (1.63, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.12, residual support = 200.3:
    * O T HB3   LEU  123 - HG    LEU  123   2.65 +/- 0.12  99.993% * 97.8109% (0.69  10.0 10.00   5.12 200.31) = 100.000%  kept
        T HD3   LYS+ 111 - HG    LEU  123  17.72 +/- 1.35   0.001% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG    LEU  123  14.37 +/- 0.89   0.004% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG    LEU  123  23.91 +/- 2.35   0.000% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG    LEU  123  22.29 +/- 1.35   0.000% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG    LEU  123  20.24 +/- 1.70   0.001% *  0.0554% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1597 (1.85, 1.85, 26.16 ppm):
    1 diagonal assignment:
    *     HG    LEU  123 - HG    LEU  123  (0.47)  kept
 
    Peak 1598 (0.86, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.61, residual support = 200.3:
    * O T QD1   LEU  123 - HG    LEU  123   2.11 +/- 0.02  99.964% * 99.6081% (0.69  10.0 10.00   5.61 200.31) = 100.000%  kept
          QD1   LEU   71 - HG    LEU  123  15.69 +/- 3.63   0.008% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HG    LEU  123  11.15 +/- 1.58   0.008% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  123  10.20 +/- 1.72   0.019% *  0.0340% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  14.11 +/- 1.16   0.001% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  123  16.92 +/- 1.12   0.000% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1599 (0.82, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.44, residual support = 200.3:
    * O T QD2   LEU  123 - HG    LEU  123   2.12 +/- 0.02  99.987% * 99.9316% (0.69  10.0 10.00   4.44 200.31) = 100.000%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.61 +/- 0.44   0.012% *  0.0486% (0.33   1.0  1.00   0.02   2.19) =   0.000%
          HB3   LEU  104 - HG    LEU  123  14.11 +/- 1.16   0.001% *  0.0198% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1600 (4.38, 0.86, 26.01 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 200.3:
    *   T HA    LEU  123 - QD1   LEU  123   2.34 +/- 0.61  99.873% * 99.5102% (1.00 10.00   6.05 200.31) = 100.000%  kept
          HA    ASP- 113 - QD1   LEU  123  10.12 +/- 0.58   0.062% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU  123  11.58 +/- 0.95   0.024% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU  123  10.72 +/- 1.04   0.026% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD1   LEU  123  13.97 +/- 1.75   0.006% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD1   LEU  123  14.05 +/- 1.94   0.005% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD1   LEU  123  15.42 +/- 1.44   0.002% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD1   LEU  123  20.48 +/- 2.00   0.001% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  20.31 +/- 1.63   0.001% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 5.95, residual support = 200.3:
    * O T HB2   LEU  123 - QD1   LEU  123   2.77 +/- 0.20  98.657% * 99.3293% (1.00  10.0 10.00   5.95 200.31) = 100.000%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.82 +/- 0.25   1.191% *  0.0307% (0.31   1.0  1.00   0.02   2.19) =   0.000%
          QD    LYS+  65 - QD1   LEU  123   9.69 +/- 1.51   0.078% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU  123  11.22 +/- 1.58   0.038% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  123  12.52 +/- 1.02   0.014% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  123  14.74 +/- 1.21   0.005% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  123  14.37 +/- 0.68   0.006% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  123  16.63 +/- 1.34   0.003% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  16.61 +/- 1.47   0.003% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD1   LEU  123  17.16 +/- 1.90   0.003% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  123  17.07 +/- 1.01   0.002% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  22.73 +/- 1.04   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 200.3:
    * O T HB3   LEU  123 - QD1   LEU  123   2.98 +/- 0.36  99.946% * 99.6484% (1.00  10.0 10.00   5.73 200.31) = 100.000%  kept
          QB    ALA   57 - QD1   LEU  123  11.63 +/- 0.77   0.035% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD1   LEU  123  14.88 +/- 0.78   0.008% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD1   LEU  123  15.91 +/- 1.45   0.006% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD1   LEU  123  18.78 +/- 1.99   0.002% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD1   LEU  123  18.35 +/- 1.24   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.39 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.61, residual support = 200.3:
    * O T HG    LEU  123 - QD1   LEU  123   2.11 +/- 0.02  93.541% * 98.8924% (0.69  10.0 10.00   5.61 200.31) =  99.996%  kept
          HG3   PRO   68 - QD1   LEU  123   8.81 +/- 2.89   1.701% *  0.1329% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - QD1   LEU  123   4.61 +/- 1.63   4.733% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD1   LEU  123   9.15 +/- 0.95   0.016% *  0.1203% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   LEU  123  11.91 +/- 0.72   0.003% *  0.0757% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   LEU  123  12.18 +/- 1.40   0.004% *  0.0252% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  15.93 +/- 1.06   0.001% *  0.1291% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  15.48 +/- 1.23   0.001% *  0.0592% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   LEU  123  17.95 +/- 1.24   0.000% *  0.1249% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  15.77 +/- 1.78   0.001% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   LEU  123  18.14 +/- 1.34   0.000% *  0.0989% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   LEU  123  18.81 +/- 1.61   0.000% *  0.1045% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  22.00 +/- 1.35   0.000% *  0.0931% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  23.43 +/- 0.91   0.000% *  0.0815% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.91, residual support = 200.3:
    * O T QD2   LEU  123 - QD1   LEU  123   2.08 +/- 0.06  99.946% * 99.7540% (1.00  10.0 10.00   4.91 200.31) = 100.000%  kept
          HG3   LYS+ 121 - QD1   LEU  123   7.46 +/- 0.23   0.048% *  0.0486% (0.49   1.0  1.00   0.02   2.19) =   0.000%
        T HB3   LEU  104 - QD1   LEU  123  10.97 +/- 1.06   0.006% *  0.1974% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1606 (4.38, 0.82, 23.66 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 200.3:
    *   T HA    LEU  123 - QD2   LEU  123   2.68 +/- 0.22  99.931% * 99.5102% (1.00 10.00   4.75 200.31) = 100.000%  kept
          HA    ASP- 113 - QD2   LEU  123  11.12 +/- 0.60   0.026% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QD2   LEU  123  12.83 +/- 0.89   0.011% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU  123  11.57 +/- 1.14   0.021% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD2   LEU  123  15.93 +/- 1.75   0.004% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD2   LEU  123  15.92 +/- 1.99   0.004% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU  123  16.50 +/- 1.78   0.003% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU  123  22.29 +/- 2.07   0.000% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  21.15 +/- 1.92   0.001% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.85, residual support = 200.3:
    * O T HB2   LEU  123 - QD2   LEU  123   2.93 +/- 0.36  99.554% * 99.0560% (1.00  10.0 10.00   4.85 200.31) =  99.999%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   8.05 +/- 0.18   0.287% *  0.3057% (0.31   1.0 10.00   0.02   2.19) =   0.001%
          QD    LYS+  65 - QD2   LEU  123   9.99 +/- 1.48   0.113% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU  123  12.77 +/- 1.50   0.021% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU  123  15.85 +/- 0.71   0.005% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU  123  16.44 +/- 1.08   0.004% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  14.53 +/- 0.97   0.008% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU  123  18.46 +/- 1.36   0.002% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU  123  18.96 +/- 0.96   0.002% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD2   LEU  123  18.53 +/- 1.75   0.002% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU  123  18.52 +/- 1.92   0.002% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  24.92 +/- 1.08   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1608 (1.63, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 200.3:
    * O T HB3   LEU  123 - QD2   LEU  123   2.36 +/- 0.36  99.988% * 99.6484% (1.00  10.0 10.00   4.43 200.31) = 100.000%  kept
          QB    ALA   57 - QD2   LEU  123  12.54 +/- 0.83   0.008% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU  123  16.41 +/- 0.81   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  17.60 +/- 1.65   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD2   LEU  123  20.19 +/- 2.28   0.001% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  19.38 +/- 1.11   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.44, residual support = 200.3:
    * O T HG    LEU  123 - QD2   LEU  123   2.12 +/- 0.02  98.664% * 98.6685% (0.69  10.0 10.00   4.44 200.31) =  99.999%  kept
          HG3   PRO   68 - QD2   LEU  123   9.51 +/- 3.04   0.551% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD2   LEU  123   5.42 +/- 1.26   0.777% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD2   LEU  123  11.50 +/- 0.82   0.004% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD2   LEU  123  13.68 +/- 1.29   0.002% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD2   LEU  123  13.95 +/- 0.66   0.001% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  18.18 +/- 0.97   0.000% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD2   LEU  123  19.04 +/- 1.16   0.000% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  17.77 +/- 1.13   0.000% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  123  19.69 +/- 1.14   0.000% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD2   LEU  123  20.32 +/- 1.74   0.000% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  17.86 +/- 1.84   0.000% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  24.04 +/- 1.19   0.000% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  25.28 +/- 0.97   0.000% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.91, residual support = 200.3:
    * O T QD1   LEU  123 - QD2   LEU  123   2.08 +/- 0.06  99.931% * 99.6081% (1.00  10.0 10.00   4.91 200.31) = 100.000%  kept
          QG1   VAL   70 - QD2   LEU  123   9.54 +/- 1.51   0.019% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  123  13.43 +/- 3.15   0.017% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  123   9.28 +/- 1.60   0.030% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU  123  13.06 +/- 0.95   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD2   LEU  123  14.51 +/- 1.08   0.001% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1611 (0.82, 0.82, 23.66 ppm):
    1 diagonal assignment:
    *     QD2   LEU  123 - QD2   LEU  123  (1.00)  kept
 
    Peak 1612 (4.11, 4.11, 54.16 ppm):
    2 diagonal assignments:
    *     HA    ALA  124 - HA    ALA  124  (1.00)  kept
          HA    ALA   34 - HA    ALA   34  (0.04)  kept
 
    Peak 1614 (1.35, 4.11, 54.16 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.22:
    * O T QB    ALA  124 - HA    ALA  124   2.14 +/- 0.02  99.774% * 97.4620% (1.00  10.0 10.00   1.00   9.22) = 100.000%  kept
        T HB2   LEU   31 - HA    ALA   34   7.56 +/- 0.18   0.052% *  0.0730% (0.07   1.0 10.00   0.02   4.85) =   0.000%
          HG2   LYS+  38 - HA    ALA   34   6.46 +/- 0.24   0.135% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA  124  14.67 +/- 1.53   0.002% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34  10.59 +/- 1.05   0.008% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34   9.25 +/- 0.92   0.018% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ALA   34  19.23 +/- 1.94   0.000% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA  124  26.31 +/- 0.93   0.000% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  18.45 +/- 0.49   0.000% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  16.12 +/- 2.04   0.001% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  19.88 +/- 1.26   0.000% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   31 - HA    ALA  124  27.43 +/- 2.01   0.000% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  20.83 +/- 0.96   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  11.14 +/- 0.84   0.006% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  18.42 +/- 1.01   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  22.46 +/- 1.23   0.000% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  16.41 +/- 0.60   0.001% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  22.08 +/- 1.45   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  14.10 +/- 2.00   0.002% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  17.51 +/- 0.86   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  20.46 +/- 1.02   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  18.63 +/- 0.84   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  21.85 +/- 2.06   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  22.93 +/- 2.34   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  17.74 +/- 0.76   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  23.52 +/- 1.90   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  31.24 +/- 1.16   0.000% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  22.98 +/- 0.74   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  28.13 +/- 2.31   0.000% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  30.12 +/- 1.29   0.000% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1629 (1.35, 1.35, 20.20 ppm):
    1 diagonal assignment:
    *     QB    ALA  124 - QB    ALA  124  (1.00)  kept
 
    Peak 1630 (4.11, 1.35, 20.20 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.22:
    * O T HA    ALA  124 - QB    ALA  124   2.14 +/- 0.02  99.998% * 98.8388% (1.00  10.0 10.00   1.00   9.22) = 100.000%  kept
        T HA    ALA   34 - QB    ALA  124  19.23 +/- 1.94   0.000% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA  124  14.00 +/- 0.68   0.001% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   28 - QB    ALA  124  24.81 +/- 1.72   0.000% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA  124  21.79 +/- 1.06   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  23.18 +/- 2.06   0.000% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  19.37 +/- 1.36   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  28.85 +/- 0.99   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1633 (1.63, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.48, residual support = 200.3:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00 100.000% * 97.4949% (1.00  10.0 10.00   5.48 200.31) = 100.000%  kept
        T HD3   LYS+ 111 - HB2   LEU  123  18.20 +/- 1.27   0.000% *  0.8744% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB2   LEU  123  20.90 +/- 2.00   0.000% *  0.5520% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LEU  123  23.57 +/- 2.62   0.000% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LEU  123  15.54 +/- 1.17   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  23.76 +/- 1.58   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1634 (1.63, 1.63, 43.16 ppm):
    1 diagonal assignment:
    *     HB3   LEU  123 - HB3   LEU  123  (1.00)  kept
 
    Peak 1635 (1.68, 1.63, 43.16 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.48, residual support = 200.3:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  99.984% * 96.4170% (0.99  10.0 10.00   5.48 200.31) = 100.000%  kept
          HB2   LYS+ 121 - HB3   LEU  123   7.88 +/- 0.61   0.014% *  0.0365% (0.38   1.0  1.00   0.02   2.19) =   0.000%
        T QD    LYS+  65 - HB3   LEU  123  13.54 +/- 1.51   0.001% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU  123  18.51 +/- 1.23   0.000% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB3   LEU  123  20.53 +/- 1.72   0.000% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LEU  123  21.13 +/- 2.14   0.000% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  13.90 +/- 1.75   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  16.08 +/- 1.58   0.000% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  19.81 +/- 1.70   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  29.38 +/- 1.86   0.000% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  22.10 +/- 2.31   0.000% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  22.58 +/- 1.56   0.000% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1636 (0.86, 1.63, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 200.3:
    * O T QD1   LEU  123 - HB3   LEU  123   2.98 +/- 0.36  99.800% * 99.6081% (1.00  10.0 10.00   5.73 200.31) = 100.000%  kept
          QG1   VAL   70 - HB3   LEU  123  11.19 +/- 1.74   0.072% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB3   LEU  123  15.91 +/- 3.75   0.035% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU  123  11.32 +/- 1.97   0.079% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  13.75 +/- 1.37   0.012% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB3   LEU  123  17.87 +/- 1.43   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 200.3:
    * O T QD2   LEU  123 - HB3   LEU  123   2.36 +/- 0.36  99.921% * 99.9316% (1.00  10.0 10.00   4.43 200.31) = 100.000%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.37 +/- 0.74   0.071% *  0.0486% (0.49   1.0  1.00   0.02   2.19) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  13.75 +/- 1.37   0.008% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.12, residual support = 200.3:
    * O T HG    LEU  123 - HB3   LEU  123   2.65 +/- 0.12  99.550% * 95.7694% (0.69  10.0 10.00   5.12 200.31) =  99.998%  kept
        T HG3   PRO   68 - HB3   LEU  123  11.80 +/- 3.50   0.122% *  1.2870% (0.92   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HB3   LEU  123   7.40 +/- 1.22   0.307% *  0.0215% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   LEU  123  12.18 +/- 1.20   0.014% *  0.1165% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB3   LEU  123  23.86 +/- 1.76   0.000% *  1.2094% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB3   LEU  123  24.00 +/- 1.99   0.000% *  1.0124% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  15.58 +/- 1.15   0.003% *  0.0734% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  20.11 +/- 1.46   0.001% *  0.1250% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  16.84 +/- 1.83   0.002% *  0.0244% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  19.82 +/- 1.55   0.001% *  0.0573% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  20.45 +/- 2.08   0.001% *  0.0388% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB3   LEU  123  23.85 +/- 1.72   0.000% *  0.0958% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  28.34 +/- 1.80   0.000% *  0.0902% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  30.08 +/- 1.49   0.000% *  0.0789% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1639 (4.38, 1.63, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.5, residual support = 200.3:
    * O T HA    LEU  123 - HB3   LEU  123   2.67 +/- 0.16  99.978% * 99.5102% (1.00  10.0 10.00   5.50 200.31) = 100.000%  kept
          HA    ASP- 113 - HB3   LEU  123  13.06 +/- 0.93   0.010% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  123  16.14 +/- 1.67   0.003% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  15.27 +/- 1.59   0.004% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  17.74 +/- 2.04   0.002% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  18.05 +/- 2.20   0.002% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  20.36 +/- 2.04   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  25.69 +/- 2.33   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  25.95 +/- 2.35   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.993, support = 5.6, residual support = 314.8:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  96.557% * 76.1572% (1.00  10.0   5.59 314.85) =  98.920%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.65 +/- 0.57   3.416% * 23.5057% (0.31  10.0   6.95 314.85) =   1.080%  kept
          HG    LEU  104 - HD3   LYS+ 121   8.80 +/- 1.95   0.022% *  0.0235% (0.31   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD3   LYS+ 121  12.07 +/- 2.22   0.002% *  0.0610% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  12.50 +/- 2.49   0.002% *  0.0133% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  12.58 +/- 2.11   0.001% *  0.0170% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  17.28 +/- 2.12   0.000% *  0.0755% (0.99   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  20.71 +/- 1.77   0.000% *  0.0735% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  20.03 +/- 1.75   0.000% *  0.0582% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  19.33 +/- 1.75   0.000% *  0.0151% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1658 (1.41, 1.41, 29.95 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 121 - HD3   LYS+ 121  (1.00)  kept
 
    Peak 1659 (1.15, 1.41, 29.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 314.8:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.72 +/- 0.31  96.456% * 99.7211% (1.00  10.0   6.28 314.85) =  99.997%  kept
          QG2   VAL  107 - HD3   LYS+ 121   8.43 +/- 1.73   3.347% *  0.0921% (0.92   1.0   0.02   0.02) =   0.003%
          HG13  ILE  119 - HD3   LYS+ 121   8.76 +/- 1.06   0.147% *  0.0308% (0.31   1.0   0.02   3.58) =   0.000%
          HG13  ILE  103 - HD3   LYS+ 121  11.17 +/- 1.64   0.049% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HD3   LYS+ 121  20.55 +/- 1.58   0.001% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+ 121  19.93 +/- 1.91   0.001% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1660 (0.80, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 314.8:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.55 +/- 0.29  99.912% * 98.9917% (1.00  10.0 10.00   5.98 314.85) = 100.000%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  11.26 +/- 1.28   0.019% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+ 121   9.47 +/- 0.72   0.065% *  0.0482% (0.49   1.0  1.00   0.02   2.19) =   0.000%
        T QD2   LEU   73 - HD3   LYS+ 121  14.48 +/- 1.72   0.004% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+ 121  20.15 +/- 2.05   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1661 (1.66, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.07, residual support = 314.8:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.12 +/- 0.27  99.591% * 99.2313% (1.00  10.0  1.00   7.07 314.85) = 100.000%  kept
          HB2   LEU  123 - HD3   LYS+ 121   8.62 +/- 0.92   0.330% *  0.0306% (0.31   1.0  1.00   0.02   2.19) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+ 121  14.80 +/- 2.80   0.023% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HD3   LYS+ 121  13.72 +/- 1.68   0.022% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   LYS+ 121  17.57 +/- 2.78   0.007% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD3   LYS+ 121  16.71 +/- 1.89   0.006% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  16.35 +/- 2.33   0.009% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+ 121  15.99 +/- 1.15   0.007% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD3   LYS+ 121  18.98 +/- 1.82   0.003% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+ 121  23.03 +/- 1.79   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 5.88, residual support = 313.3:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.39 +/- 0.16  96.446% * 86.0962% (1.00  10.0   5.89 314.85) =  99.413%  kept
          HB3   HIS  122 - HD3   LYS+ 121   6.57 +/- 1.98   3.553% * 13.7928% (0.84   1.0   3.84  50.89) =   0.587%  kept
          HG2   GLN   30 - HD3   LYS+ 121  22.23 +/- 2.28   0.000% *  0.0591% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+ 121  24.74 +/- 1.68   0.000% *  0.0386% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  27.70 +/- 1.72   0.000% *  0.0133% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 6.69, residual support = 312.7:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   4.44 +/- 0.41  62.023% * 88.0770% (1.00 10.00   6.72 314.85) =  99.328%  kept
          HA    ALA  120 - HD3   LYS+ 121   7.63 +/- 0.53   3.072% * 11.1941% (0.76  1.00   3.33   2.26) =   0.625%  kept
          QB    SER  117 - HD3   LYS+ 121   5.97 +/- 2.34  34.472% *  0.0736% (0.84  1.00   0.02   0.02) =   0.046%
        T HA    LYS+  65 - HD3   LYS+ 121  16.62 +/- 2.16   0.052% *  0.3004% (0.34 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+ 121  12.43 +/- 1.47   0.292% *  0.0245% (0.28  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 121  15.55 +/- 1.59   0.058% *  0.0873% (0.99  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 121  19.56 +/- 2.37   0.018% *  0.0362% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 121  24.11 +/- 1.70   0.004% *  0.0833% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 121  24.69 +/- 1.85   0.003% *  0.0873% (0.99  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 121  22.39 +/- 1.54   0.005% *  0.0362% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1665 (1.50, 1.52, 32.89 ppm):
    1 diagonal assignment:
          HB3   LYS+ 121 - HB3   LYS+ 121  (0.26)  kept
    Reference assignment not found: HD2   LYS+ 121 - HB3   LYS+ 121
 
    Peak 1666 (1.52, 1.52, 32.89 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 121 - HB3   LYS+ 121  (0.70)  kept
 
    Peak 1667 (1.15, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 7.6, residual support = 314.8:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.79 +/- 0.13  99.531% * 99.7211% (0.84  10.0 10.00   7.60 314.85) = 100.000%  kept
          QG2   VAL  107 - HB3   LYS+ 121   8.78 +/- 1.14   0.290% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB3   LYS+ 121   8.35 +/- 0.48   0.158% *  0.0308% (0.26   1.0  1.00   0.02   3.58) =   0.000%
          HG13  ILE  103 - HB3   LYS+ 121  12.39 +/- 1.35   0.020% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB3   LYS+ 121  21.15 +/- 1.25   0.001% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB3   LYS+ 121  21.05 +/- 1.68   0.001% *  0.0277% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1668 (0.80, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 6.93, residual support = 314.8:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.37 +/- 0.19  99.927% * 99.5295% (0.84  10.0 10.00   6.93 314.85) = 100.000%  kept
          QD2   LEU  123 - HB3   LYS+ 121   8.43 +/- 0.13   0.059% *  0.0484% (0.41   1.0  1.00   0.02   2.19) =   0.000%
          QD1   ILE   56 - HB3   LYS+ 121  11.32 +/- 1.08   0.013% *  0.0604% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HB3   LYS+ 121  15.15 +/- 1.42   0.002% *  0.3395% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   LYS+ 121  21.28 +/- 1.74   0.000% *  0.0222% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1669 (1.66, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.68, residual support = 314.8:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  99.974% * 97.1314% (0.84  10.0 10.00   8.68 314.85) = 100.000%  kept
          HB2   LEU  123 - HB3   LYS+ 121   7.15 +/- 0.68   0.025% *  0.0300% (0.26   1.0  1.00   0.02   2.19) =   0.000%
        T QD    LYS+  65 - HB3   LYS+ 121  16.29 +/- 1.84   0.000% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB3   LYS+ 121  14.64 +/- 1.25   0.000% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  15.06 +/- 1.70   0.000% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LYS+ 121  18.19 +/- 1.45   0.000% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  15.96 +/- 0.99   0.000% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  16.82 +/- 1.74   0.000% *  0.0331% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  19.60 +/- 1.78   0.000% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  24.27 +/- 1.29   0.000% *  0.0952% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1670 (2.75, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.823, support = 6.82, residual support = 290.5:
    *     QE    LYS+ 121 - HB3   LYS+ 121   3.99 +/- 0.55  86.158% * 60.4770% (0.84  1.00   6.98 314.85) =  90.784%  kept
          HB3   HIS  122 - HB3   LYS+ 121   5.95 +/- 0.93  13.836% * 38.2274% (0.70  1.00   5.28  50.89) =   9.215%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  23.18 +/- 1.62   0.003% *  1.1911% (0.57 10.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB3   LYS+ 121  25.97 +/- 1.69   0.001% *  0.0777% (0.37  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB3   LYS+ 121  28.62 +/- 1.55   0.001% *  0.0268% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1671 (3.94, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.21, residual support = 314.8:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.56 +/- 0.27  98.242% * 99.1042% (0.84  10.0 10.00   8.21 314.85) =  99.999%  kept
          QB    SER  117 - HB3   LYS+ 121   5.77 +/- 0.72   1.100% *  0.0828% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB3   LYS+ 121   6.16 +/- 0.27   0.636% *  0.0757% (0.64   1.0  1.00   0.02   2.26) =   0.000%
        T HA    LYS+  65 - HB3   LYS+ 121  16.26 +/- 2.25   0.003% *  0.3381% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB3   LYS+ 121  12.58 +/- 1.54   0.015% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LYS+ 121  16.50 +/- 1.11   0.002% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  19.46 +/- 2.18   0.001% *  0.0407% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  24.73 +/- 1.45   0.000% *  0.0937% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  25.07 +/- 1.28   0.000% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  23.54 +/- 1.13   0.000% *  0.0407% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1672 (1.52, 1.66, 32.89 ppm):
    9 chemical-shift based assignments, quality = 0.804, support = 8.6, residual support = 314.8:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  79.261% * 55.3563% (0.84  10.0 10.00   8.68 314.85) =  83.155%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.34 +/- 0.55  20.731% * 42.8727% (0.65  10.0 10.00   8.23 314.85) =  16.845%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  10.72 +/- 2.18   0.003% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121   9.97 +/- 1.38   0.003% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.09 +/- 1.83   0.000% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.09 +/- 1.22   0.001% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.93 +/- 1.41   0.000% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.82 +/- 1.02   0.000% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  21.01 +/- 0.88   0.000% *  0.0323% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1674 (1.52, 3.94, 58.66 ppm):
    18 chemical-shift based assignments, quality = 0.801, support = 8.1, residual support = 310.4:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.56 +/- 0.27  54.622% * 52.0655% (0.84  10.0 10.00   8.21 314.85) =  91.279%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.95 +/- 0.36   4.477% * 40.3240% (0.65   1.0 10.00   7.74 314.85) =   5.794%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.85 +/- 0.66  40.411% *  2.2150% (0.04  10.0 10.00   5.27 164.85) =   2.873%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.91 +/- 0.79   0.445% *  3.7757% (0.06   1.0 10.00   5.46  26.12) =   0.054%
        T QD    LYS+  66 - HA    LYS+ 121  10.76 +/- 2.09   0.023% *  0.6016% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  11.26 +/- 1.12   0.008% *  0.0521% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.18 +/- 1.71   0.001% *  0.3529% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.66 +/- 0.82   0.004% *  0.0269% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.05 +/- 1.09   0.002% *  0.0453% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  21.29 +/- 1.31   0.000% *  0.4282% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.26 +/- 2.25   0.001% *  0.0327% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  15.97 +/- 2.32   0.001% *  0.0253% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.83 +/- 0.94   0.000% *  0.0303% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.96 +/- 0.89   0.003% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  22.14 +/- 0.96   0.000% *  0.0155% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.92 +/- 1.11   0.001% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.66 +/- 1.68   0.000% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.70 +/- 1.38   0.000% *  0.0028% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1675 (1.41, 3.94, 58.66 ppm):
    28 chemical-shift based assignments, quality = 0.931, support = 6.62, residual support = 304.4:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   4.44 +/- 0.41  13.590% * 97.6597% (1.00   1.0 10.00   6.72 314.85) =  93.011%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   2.98 +/- 0.59  82.201% *  1.2130% (0.01  10.0 10.00   5.27 164.85) =   6.988%  kept
          QB    ALA   61 - HA    LYS+  65   5.75 +/- 0.33   2.417% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+  65   6.64 +/- 0.87   1.564% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  13.89 +/- 0.91   0.014% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  17.43 +/- 1.59   0.003% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 121  12.62 +/- 1.97   0.027% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 121  14.92 +/- 1.38   0.007% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  16.62 +/- 2.16   0.005% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 121  14.92 +/- 0.99   0.008% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  14.49 +/- 1.22   0.012% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  11.40 +/- 1.35   0.056% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  13.72 +/- 1.52   0.020% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  24.59 +/- 1.85   0.000% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.85 +/- 1.13   0.001% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  11.36 +/- 0.63   0.039% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 121  22.22 +/- 1.53   0.001% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  14.66 +/- 1.90   0.010% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  18.93 +/- 1.67   0.002% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  25.32 +/- 1.78   0.000% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  26.83 +/- 1.18   0.000% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.46 +/- 1.29   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.86 +/- 0.66   0.003% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  16.70 +/- 1.70   0.004% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  14.06 +/- 0.99   0.012% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  27.07 +/- 1.38   0.000% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  22.74 +/- 1.03   0.001% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  21.86 +/- 1.39   0.001% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1676 (2.75, 2.75, 41.87 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 121 - QE    LYS+ 121  (1.00)  kept
 
    Peak 1684 (0.24, 0.24, 20.84 ppm):
    1 diagonal assignment:
    *     QG2   THR  118 - QG2   THR  118  (0.80)  kept
 
    Peak 1685 (3.69, 3.69, 67.42 ppm):
    1 diagonal assignment:
    *     HA    THR  118 - HA    THR  118  (0.80)  kept
 
    Peak 1686 (3.88, 3.88, 68.07 ppm):
    1 diagonal assignment:
    *     HB    THR  118 - HB    THR  118  (1.00)  kept
 
    Peak 1694 (1.98, 1.46, 42.01 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 227.9:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  99.814% * 98.6779% (1.00  10.0 10.00   6.10 227.91) = 100.000%  kept
          QB    GLU- 114 - HB3   LEU  115   5.31 +/- 0.46   0.148% *  0.0305% (0.31   1.0  1.00   0.02  15.17) =   0.000%
        T HB2   LEU   67 - HB3   LEU   40   8.12 +/- 1.16   0.015% *  0.0927% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU  115   8.95 +/- 1.81   0.013% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  14.05 +/- 1.74   0.001% *  0.7902% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40  10.11 +/- 1.97   0.006% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.22 +/- 0.87   0.001% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  15.84 +/- 1.47   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  17.44 +/- 2.71   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HB3   LEU   40  19.38 +/- 1.55   0.000% *  0.1158% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  11.51 +/- 1.04   0.001% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  19.17 +/- 1.16   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  14.50 +/- 1.39   0.000% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  17.51 +/- 1.36   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  22.11 +/- 1.05   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  26.65 +/- 1.24   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.21, residual support = 232.1:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  99.996% * 98.3538% (1.00  10.0 10.00   6.21 232.12) = 100.000%  kept
          HB3   PRO   93 - HB3   LYS+ 112  10.78 +/- 1.33   0.003% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HB3   LYS+ 112  20.54 +/- 2.02   0.000% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LYS+ 112  17.00 +/- 0.61   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  18.29 +/- 2.64   0.000% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  17.05 +/- 1.30   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  16.05 +/- 1.56   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  18.95 +/- 1.00   0.000% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB3   LYS+ 112  22.98 +/- 1.88   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  21.09 +/- 0.99   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  22.20 +/- 1.26   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  27.40 +/- 1.56   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  31.87 +/- 1.72   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  29.94 +/- 2.08   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.931, support = 4.39, residual support = 232.1:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  91.211% * 56.6026% (0.95  10.0   4.29 232.12) =  93.165%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   2.98 +/- 0.65   8.756% * 43.2573% (0.72  10.0   5.67 232.12) =   6.835%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   8.32 +/- 1.62   0.032% *  0.0212% (0.36   1.0   0.02  28.03) =   0.000%
          QG2   THR   94 - HD3   LYS+ 112  13.94 +/- 1.24   0.000% *  0.0453% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 112  24.54 +/- 2.86   0.000% *  0.0561% (0.94   1.0   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  20.61 +/- 1.35   0.000% *  0.0175% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1717 (1.11, 1.11, 29.98 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 112 - HD3   LYS+ 112  (0.89)  kept
 
    Peak 1724 (2.02, 1.53, 33.52 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.84, residual support = 315.7:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  82.365% * 99.3620% (1.00  10.0   6.85 315.72) =  99.988%  kept
          QB    GLU- 114 - HB3   LYS+ 111   2.72 +/- 1.00  17.633% *  0.0563% (0.57   1.0   0.02   2.45) =   0.012%
          HB    ILE  119 - HB3   LYS+ 111  10.65 +/- 1.05   0.002% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  23.02 +/- 2.68   0.000% *  0.0862% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  22.25 +/- 3.33   0.000% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  23.88 +/- 1.59   0.000% *  0.0985% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  23.90 +/- 1.24   0.000% *  0.0985% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  23.11 +/- 1.60   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  29.68 +/- 1.55   0.000% *  0.0891% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  27.04 +/- 1.90   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  25.14 +/- 2.00   0.000% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  26.36 +/- 2.27   0.000% *  0.0276% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1725 (1.53, 1.53, 33.52 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 111 - HB3   LYS+ 111  (1.00)  kept
 
    Peak 1743 (1.09, 1.09, 22.46 ppm):
    2 diagonal assignments:
    *     QG1   VAL  107 - QG1   VAL  107  (1.00)  kept
          QG2   VAL   24 - QG2   VAL   24  (0.06)  kept
 
    Peak 1745 (1.15, 1.15, 21.16 ppm):
    1 diagonal assignment:
    *     QG2   VAL  107 - QG2   VAL  107  (1.00)  kept
 
    Peak 1747 (1.09, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 58.2:
    * O T QG1   VAL  107 - HA    VAL  107   2.18 +/- 0.26  99.934% * 99.5482% (1.00  10.0 10.00   4.31  58.23) = 100.000%  kept
          HD3   LYS+ 112 - HA    VAL  107  11.82 +/- 1.22   0.014% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   8.72 +/- 1.15   0.035% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  10.15 +/- 1.35   0.015% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - HA    VAL  107  17.44 +/- 0.85   0.001% *  0.2482% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    VAL  107  17.20 +/- 1.80   0.001% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.80 +/- 0.73   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1748 (1.15, 4.48, 62.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 58.2:
    * O T QG2   VAL  107 - HA    VAL  107   2.67 +/- 0.16  99.759% * 99.7501% (1.00  10.0 10.00   3.63  58.23) = 100.000%  kept
          HG2   LYS+ 121 - HA    VAL  107  10.73 +/- 1.27   0.049% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    VAL  107  10.07 +/- 0.56   0.040% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   8.72 +/- 1.15   0.151% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    VAL  107  18.29 +/- 0.50   0.001% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.80 +/- 0.73   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.998, support = 3.14, residual support = 41.0:
    * O T HB3   ASP- 105 - HA    ASP- 105   3.00 +/- 0.05  91.667% * 83.7979% (1.00  10.0 10.00   3.12  41.30) =  98.552%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.60 +/- 0.19   7.247% * 15.5685% (0.87   1.0  1.00   4.28  19.38) =   1.447%  kept
          HB    ILE  103 - HA    ASP- 105   6.91 +/- 0.23   0.627% *  0.0831% (0.99   1.0  1.00   0.02   2.57) =   0.001%
          HG12  ILE  103 - HA    ASP- 105   7.43 +/- 0.43   0.430% *  0.0129% (0.15   1.0  1.00   0.02   2.57) =   0.000%
          HG3   PRO   68 - HA    ASP- 105  17.19 +/- 2.41   0.005% *  0.0821% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ASP- 105  13.97 +/- 1.01   0.010% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  15.30 +/- 0.75   0.005% *  0.0376% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ASP- 105  18.65 +/- 1.51   0.002% *  0.0793% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ASP- 105  19.47 +/- 0.38   0.001% *  0.0821% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ASP- 105  21.62 +/- 0.67   0.001% *  0.0752% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  18.34 +/- 0.81   0.002% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  19.51 +/- 0.89   0.001% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  23.29 +/- 0.90   0.000% *  0.0836% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  18.89 +/- 0.78   0.002% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1751 (2.23, 1.86, 47.73 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 3.15, residual support = 41.3:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  99.974% * 99.5527% (0.95  10.0 10.00   3.15  41.30) = 100.000%  kept
          HB2   MET   96 - HB3   ASP- 105   8.71 +/- 0.55   0.007% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105   8.14 +/- 1.49   0.016% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  10.94 +/- 1.81   0.003% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   ASP- 105  14.26 +/- 0.85   0.000% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  18.58 +/- 1.18   0.000% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  22.40 +/- 0.78   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  17.83 +/- 1.37   0.000% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  23.01 +/- 0.93   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1752 (1.86, 1.86, 47.73 ppm):
    1 diagonal assignment:
    *     HB3   ASP- 105 - HB3   ASP- 105  (1.00)  kept
 
    Peak 1761 (1.56, 1.37, 25.37 ppm):
    20 chemical-shift based assignments, quality = 0.832, support = 4.86, residual support = 140.4:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  49.999% * 66.9933% (1.00  10.0  1.00   4.68 135.84) =  67.312%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  49.999% * 32.5339% (0.49  10.0  1.00   5.25 149.87) =  32.688%  kept
        T HB3   LYS+ 111 - HG3   LYS+ 106  11.87 +/- 2.20   0.001% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  11.95 +/- 1.61   0.001% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65  11.92 +/- 1.60   0.001% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  19.27 +/- 0.91   0.000% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  20.43 +/- 1.46   0.000% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  21.26 +/- 1.60   0.000% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  21.41 +/- 1.13   0.000% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  20.07 +/- 2.55   0.000% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  17.57 +/- 0.93   0.000% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  17.85 +/- 2.37   0.000% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  21.09 +/- 1.59   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  23.27 +/- 1.53   0.000% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  18.69 +/- 0.90   0.000% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  22.70 +/- 2.52   0.000% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  20.05 +/- 1.45   0.000% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  23.93 +/- 1.33   0.000% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  29.15 +/- 2.12   0.000% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  24.25 +/- 1.16   0.000% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1762 (1.37, 1.37, 25.37 ppm):
    4 diagonal assignments:
    *     HG3   LYS+ 106 - HG3   LYS+ 106  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.51)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.36)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.17)  kept
 
    Peak 1770 (1.82, 1.82, 28.60 ppm):
    1 diagonal assignment:
    *     HG12  ILE  103 - HG12  ILE  103  (0.64)  kept
 
    Peak 1771 (1.82, 1.16, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 138.3:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  99.946% * 99.2815% (0.80  10.0 10.00   4.31 138.30) = 100.000%  kept
          QB    LYS+ 102 - HG13  ILE  103   6.58 +/- 0.33   0.037% *  0.0900% (0.73   1.0  1.00   0.02  22.37) =   0.000%
          HB    VAL   41 - HG13  ILE  103   8.27 +/- 1.38   0.015% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE  103  12.42 +/- 0.80   0.001% *  0.0702% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  15.52 +/- 0.90   0.000% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE  103  16.01 +/- 1.57   0.000% *  0.1237% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  18.53 +/- 0.99   0.000% *  0.0752% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  18.97 +/- 1.21   0.000% *  0.0652% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  20.66 +/- 0.93   0.000% *  0.0652% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.68, residual support = 186.8:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  99.984% * 99.4757% (0.80  10.0   5.68 186.82) = 100.000%  kept
          QG2   THR   26 - HB3   LYS+  74   7.72 +/- 0.31   0.014% *  0.0654% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LYS+  74  13.22 +/- 2.37   0.001% *  0.0557% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   LYS+  74  16.07 +/- 1.03   0.000% *  0.1114% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HB3   LYS+  74  15.25 +/- 1.63   0.000% *  0.0310% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  18.29 +/- 1.78   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  19.23 +/- 0.75   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  15.77 +/- 1.16   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  16.85 +/- 1.12   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  20.44 +/- 1.85   0.000% *  0.0466% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1859 (1.41, 1.41, 36.69 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  74 - HB3   LYS+  74  (1.00)  kept
 
    Peak 1861 (1.53, 1.53, 30.09 ppm):
    2 diagonal assignments:
    *     HD3   LYS+  74 - HD3   LYS+  74  (1.00)  kept
          HD2   LYS+ 121 - HD2   LYS+ 121  (0.03)  kept
 
    Peak 1884 (1.22, -0.08, 26.04 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.14, residual support = 215.2:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  99.997% * 99.3078% (1.00  10.0 10.00   5.14 215.25) = 100.000%  kept
          HG2   LYS+  74 - HG13  ILE   89  10.83 +/- 0.82   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG13  ILE   89  15.74 +/- 1.55   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG13  ILE   89  20.27 +/- 0.94   0.000% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  16.53 +/- 1.02   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  17.85 +/- 0.77   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  17.61 +/- 0.64   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  20.55 +/- 1.38   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1885 (-0.08, -0.08, 26.04 ppm):
    1 diagonal assignment:
    *     HG13  ILE   89 - HG13  ILE   89  (1.00)  kept
 
    Peak 1887 (0.09, 0.09, 9.19 ppm):
    1 diagonal assignment:
    *     QD1   ILE   89 - QD1   ILE   89  (1.00)  kept
 
    Peak 1902 (1.44, 1.44, 27.31 ppm):
    5 diagonal assignments:
    *     HG    LEU   73 - HG    LEU   73  (1.00)  kept
          HG    LEU   40 - HG    LEU   40  (0.13)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.11)  kept
          HG    LEU   80 - HG    LEU   80  (0.05)  kept
          HG    LEU  115 - HG    LEU  115  (0.00)  kept
 
    Peak 1909 (1.24, 1.24, 27.63 ppm):
    2 diagonal assignments:
    *     HG    LEU   71 - HG    LEU   71  (1.00)  kept
          HG13  ILE   19 - HG13  ILE   19  (0.13)  kept
 
    Peak 1923 (1.64, 1.64, 16.31 ppm):
    1 diagonal assignment:
    *     QB    ALA   57 - QB    ALA   57  (1.00)  kept
 
    Peak 1924 (4.26, 1.64, 16.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 24.3:
    * O T HA    ALA   57 - QB    ALA   57   2.14 +/- 0.01  99.957% * 99.6237% (1.00  10.0 10.00   2.81  24.30) = 100.000%  kept
          HA1   GLY   51 - QB    ALA   57   8.59 +/- 0.75   0.028% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57  10.28 +/- 0.93   0.011% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   57  12.92 +/- 0.95   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - QB    ALA   57  14.36 +/- 0.56   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   57  16.69 +/- 1.21   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  21.08 +/- 1.04   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  18.79 +/- 0.70   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  18.28 +/- 1.10   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  26.03 +/- 2.02   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1926 (4.26, 4.26, 57.40 ppm):
    1 diagonal assignment:
    *     HA    ALA   57 - HA    ALA   57  (1.00)  kept
 
    Peak 1933 (0.79, 0.79, 15.02 ppm):
    1 diagonal assignment:
    *     QD1   ILE   56 - QD1   ILE   56  (0.89)  kept
 
    Peak 1940 (4.27, 4.27, 48.66 ppm):
    1 diagonal assignment:
    *     HA1   GLY   51 - HA1   GLY   51  (1.00)  kept
 
    Peak 1941 (4.27, 3.94, 48.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 9.98:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  99.996% * 97.5263% (1.00  10.0 10.00   2.81   9.98) = 100.000%  kept
          HA    ALA   57 - HA2   GLY   51  10.37 +/- 0.84   0.003% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  13.14 +/- 0.72   0.001% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  19.96 +/- 1.18   0.000% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  18.52 +/- 0.96   0.000% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  16.43 +/- 0.63   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  26.79 +/- 0.57   0.000% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  22.46 +/- 1.19   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  32.07 +/- 0.84   0.000% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  38.39 +/- 2.58   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 65.2:
    * O T QG2   VAL   24 - QG1   VAL   24   2.02 +/- 0.05  99.999% * 99.5951% (1.00  10.0 10.00   2.70  65.15) = 100.000%  kept
        T QG1   VAL  107 - QG1   VAL   24  15.00 +/- 1.51   0.001% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   24  18.13 +/- 1.82   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   24  23.68 +/- 1.86   0.000% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2010 (4.81, 4.81, 72.92 ppm):
    1 diagonal assignment:
    *     HB    THR   23 - HB    THR   23  (1.00)  kept
 
    Peak 2025 (0.69, 0.69, 16.64 ppm):
    1 diagonal assignment:
    *     QG2   ILE   19 - QG2   ILE   19  (1.00)  kept
 
    Peak 2031 (3.96, 3.96, 45.84 ppm):
    1 diagonal assignment:
    *     HA2   GLY   16 - HA2   GLY   16  (1.00)  kept
 
    Peak 2038 (1.46, 1.46, 26.98 ppm):
    3 diagonal assignments:
    *     HG    LEU   40 - HG    LEU   40  (1.00)  kept
          HG    LEU  115 - HG    LEU  115  (0.35)  kept
          HG    LEU   73 - HG    LEU   73  (0.13)  kept
 
    Peak 2039 (0.98, 0.98, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   40 - QD2   LEU   40  (1.00)  kept
 
    Peak 2040 (0.98, 0.98, 27.63 ppm):
    1 diagonal assignment:
    *     QD1   LEU   67 - QD1   LEU   67  (1.00)  kept
 
    Peak 2045 (1.35, 1.35, 27.95 ppm):
    1 diagonal assignment:
    *     HG    LEU   98 - HG    LEU   98  (1.00)  kept
 
    Peak 2047 (4.99, 4.99, 52.22 ppm):
    2 diagonal assignments:
    *     HA    LEU   67 - HA    LEU   67  (1.00)  kept
          HA    ASP-  76 - HA    ASP-  76  (0.04)  kept
 
    Peak 2050 (0.91, 0.91, 26.66 ppm):
    1 diagonal assignment:
    *     QD1   LEU   40 - QD1   LEU   40  (1.00)  kept
 
    Peak 2051 (1.98, 1.98, 42.52 ppm):
    1 diagonal assignment:
    *     HB2   LEU   67 - HB2   LEU   67  (0.53)  kept
 
    Peak 2052 (1.43, 1.43, 42.52 ppm):
    1 diagonal assignment:
    *     HB3   LEU   67 - HB3   LEU   67  (0.89)  kept
 
    Peak 2055 (1.46, 1.46, 26.01 ppm):
    2 diagonal assignments:
    *     HG    LEU   67 - HG    LEU   67  (1.00)  kept
          QG    LYS+  66 - QG    LYS+  66  (0.03)  kept
 
    Peak 2056 (0.92, 0.92, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   67 - QD2   LEU   67  (1.00)  kept
 
    Peak 2057 (3.84, 3.84, 51.93 ppm):
    1 diagonal assignment:
    *     HD3   PRO   52 - HD3   PRO   52  (1.00)  kept
 
    Peak 2062 (3.33, 3.33, 50.60 ppm):
    2 diagonal assignments:
    *     HD3   PRO   68 - HD3   PRO   68  (1.00)  kept
          HD3   PRO   93 - HD3   PRO   93  (0.18)  kept
 
    Peak 2063 (3.75, 3.75, 50.60 ppm):
    2 diagonal assignments:
    *     HD2   PRO   68 - HD2   PRO   68  (1.00)  kept
          HD3   PRO   58 - HD3   PRO   58  (0.02)  kept
 
    Peak 2067 (3.72, 3.72, 50.93 ppm):
    2 diagonal assignments:
    *     HD3   PRO   58 - HD3   PRO   58  (0.89)  kept
          HD2   PRO   68 - HD2   PRO   68  (0.01)  kept
 
    Peak 2077 (1.98, 1.98, 28.60 ppm):
    1 diagonal assignment:
    *     HG3   PRO   58 - HG3   PRO   58  (1.00)  kept
 
    Peak 2082 (1.36, 1.36, 34.10 ppm):
    1 diagonal assignment:
    *     HB3   PRO   93 - HB3   PRO   93  (1.00)  kept
 
    Peak 2086 (1.68, 1.68, 24.81 ppm):
    1 diagonal assignment:
    *     HG3   PRO   93 - HG3   PRO   93  (1.00)  kept
 
    Peak 2090 (1.98, 1.98, 27.31 ppm):
    1 diagonal assignment:
    *     HG2   PRO   68 - HG2   PRO   68  (0.47)  kept
 
    Peak 2091 (1.86, 1.86, 27.31 ppm):
    2 diagonal assignments:
    *     HG3   PRO   68 - HG3   PRO   68  (1.00)  kept
          HG2   ARG+  54 - HG2   ARG+  54  (0.26)  kept
 
    Peak 2094 (2.02, 2.02, 31.99 ppm):
    1 diagonal assignment:
    *     HB3   PRO   68 - HB3   PRO   68  (1.00)  kept
 
    Peak 2097 (2.12, 2.12, 38.95 ppm):
    1 diagonal assignment:
    *     HG3   GLU- 100 - HG3   GLU- 100  (1.00)  kept
 
    Peak 2111 (1.95, 1.95, 30.44 ppm):
    1 diagonal assignment:
    *     HB3   ARG+  54 - HB3   ARG+  54  (1.00)  kept
 
    Peak 2115 (3.25, 3.25, 43.59 ppm):
    1 diagonal assignment:
    *     HD3   ARG+  54 - HD3   ARG+  54  (1.00)  kept
 
    Peak 2117 (1.86, 1.86, 27.63 ppm):
    2 diagonal assignments:
    *     HG2   ARG+  54 - HG2   ARG+  54  (1.00)  kept
          HG3   PRO   68 - HG3   PRO   68  (0.26)  kept
 
    Peak 2119 (1.60, 1.60, 27.63 ppm):
    1 diagonal assignment:
    *     HG3   ARG+  54 - HG3   ARG+  54  (1.00)  kept
 
    Peak 2122 (2.15, 2.15, 30.04 ppm):
    2 diagonal assignments:
    *     QB    GLU-  36 - QB    GLU-  36  (1.00)  kept
          HB3   GLU-  29 - HB3   GLU-  29  (0.27)  kept
 
    Peak 2133 (2.73, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 155.6:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  99.986% * 99.4743% (1.00  10.0 10.00   6.04 155.65) = 100.000%  kept
          HB3   ASN   28 - HG3   GLN   30   8.22 +/- 0.30   0.010% *  0.0918% (0.92   1.0  1.00   0.02   8.66) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  11.98 +/- 2.35   0.003% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  19.46 +/- 0.75   0.000% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  14.08 +/- 2.36   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HG3   GLN   30  20.93 +/- 2.62   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  26.75 +/- 1.12   0.000% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  15.93 +/- 1.27   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HG3   GLN   30  21.15 +/- 1.76   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  15.80 +/- 1.54   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  22.46 +/- 0.90   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  28.90 +/- 1.78   0.000% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.55, residual support = 149.9:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.74 +/- 0.35  95.565% * 99.0807% (1.00  10.0   4.55 149.87) =  99.999%  kept
          HB2   ASP-  78 - QG    LYS+  81   5.14 +/- 0.49   3.390% *  0.0307% (0.31   1.0   0.02   0.76) =   0.001%
          HB2   ASN   35 - HG2   LYS+  33   7.92 +/- 0.68   0.224% *  0.0338% (0.34   1.0   0.02   1.35) =   0.000%
          HB2   ASP-  76 - QG    LYS+  81   6.68 +/- 0.41   0.663% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  33  10.33 +/- 1.02   0.055% *  0.0971% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QG    LYS+  81   9.86 +/- 0.30   0.054% *  0.0326% (0.33   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+ 106  12.89 +/- 1.46   0.016% *  0.0413% (0.42   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - QG    LYS+  81  14.12 +/- 0.68   0.007% *  0.0465% (0.47   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  13.31 +/- 2.37   0.014% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+  33  19.03 +/- 2.69   0.001% *  0.0889% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  18.43 +/- 1.13   0.002% *  0.0681% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  19.21 +/- 1.23   0.001% *  0.0474% (0.48   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  20.70 +/- 1.17   0.001% *  0.0601% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  20.51 +/- 1.35   0.001% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  20.44 +/- 1.42   0.001% *  0.0539% (0.54   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  18.89 +/- 1.10   0.001% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - QG    LYS+  81  21.26 +/- 1.94   0.001% *  0.0425% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  23.27 +/- 1.04   0.000% *  0.0641% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  20.07 +/- 1.44   0.001% *  0.0205% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  22.50 +/- 1.34   0.000% *  0.0389% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  19.36 +/- 1.35   0.001% *  0.0093% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  20.43 +/- 1.08   0.001% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  22.55 +/- 1.00   0.000% *  0.0162% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  26.66 +/- 0.70   0.000% *  0.0073% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 5.67, residual support = 149.9:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.26 +/- 0.08  99.998% * 98.2551% (1.00  10.0 10.00   5.67 149.87) = 100.000%  kept
        T QG    LYS+  81 - QB    LYS+  33  18.63 +/- 0.75   0.000% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QB    LYS+  33  19.49 +/- 1.03   0.000% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  33  15.51 +/- 0.69   0.001% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  33  16.57 +/- 0.57   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  21.48 +/- 1.45   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  26.34 +/- 1.83   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.992, support = 4.82, residual support = 216.7:
    *     QE    LYS+  38 - HA    LYS+  38   4.50 +/- 0.32  69.954% * 93.9663% (1.00  1.00   4.82 218.18) =  99.164%  kept
          QE    LYS+  99 - HA    GLU- 100   6.31 +/- 0.75  12.458% *  4.2782% (0.05  1.00   4.05  39.69) =   0.804%  kept
          QE    LYS+  99 - HA    LYS+  38   7.59 +/- 1.24   4.888% *  0.3493% (0.90  1.00   0.02   0.02) =   0.026%
          QE    LYS+  38 - HA    GLU- 100   6.61 +/- 1.29  10.171% *  0.0235% (0.06  1.00   0.02   0.02) =   0.004%
          QE    LYS+ 102 - HA    LYS+  38  12.17 +/- 1.60   0.238% *  0.3596% (0.92  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HA    GLU- 100   8.44 +/- 0.67   1.903% *  0.0217% (0.06  1.00   0.02   0.02) =   0.001%
        T HB3   TRP   27 - HA    LYS+  38  15.88 +/- 0.73   0.041% *  0.8672% (0.22 10.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HA    LYS+  38  14.79 +/- 0.75   0.057% *  0.0771% (0.20  1.00   0.02   0.02) =   0.000%
        T HB3   TRP   27 - HA    GLU- 100  15.49 +/- 0.99   0.048% *  0.0524% (0.01 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    GLU- 100  11.68 +/- 0.29   0.241% *  0.0047% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.03 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 = 0.938, support = 4.51, residual support = 160.7:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.27 +/- 0.29  66.934% * 54.8141% (1.00  10.0 10.00   4.28 164.85) =  72.391%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.74 +/- 0.57  32.962% * 42.4513% (0.77  10.0 10.00   5.13 149.87) =  27.609%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.20 +/- 0.40   0.080% *  0.0287% (0.52   1.0  1.00   0.02   1.35) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33  10.57 +/- 1.86   0.012% *  0.0457% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  18.66 +/- 2.68   0.000% *  0.4916% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.60 +/- 2.12   0.001% *  0.4001% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  13.04 +/- 2.63   0.006% *  0.0271% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  19.75 +/- 2.30   0.000% *  0.4733% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  13.40 +/- 1.15   0.003% *  0.0212% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  19.96 +/- 1.09   0.000% *  0.2301% (0.42   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  20.04 +/- 1.11   0.000% *  0.2063% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  16.56 +/- 1.47   0.001% *  0.0412% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  25.15 +/- 1.41   0.000% *  0.4461% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  18.79 +/- 1.66   0.000% *  0.0437% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  18.82 +/- 2.02   0.000% *  0.0430% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.33 +/- 1.11   0.000% *  0.0222% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  19.29 +/- 1.18   0.000% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  25.21 +/- 1.76   0.000% *  0.0529% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  25.24 +/- 1.25   0.000% *  0.0506% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  22.95 +/- 2.12   0.000% *  0.0206% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  25.32 +/- 1.46   0.000% *  0.0332% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  24.16 +/- 1.53   0.000% *  0.0178% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  23.01 +/- 0.99   0.000% *  0.0086% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  29.19 +/- 1.27   0.000% *  0.0167% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2177 (2.16, 2.16, 36.74 ppm):
    1 diagonal assignment:
    *     HG3   GLU-  29 - HG3   GLU-  29  (1.00)  kept
 
    Peak 2178 (2.25, 2.16, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.39, residual support = 92.2:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.31 +/- 0.10  99.994% * 99.1144% (1.00  10.0 10.00   4.39  92.21) = 100.000%  kept
        T QG    GLN   90 - HG3   GLU-  29  19.84 +/- 2.03   0.000% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG3   GLU-  29  14.92 +/- 1.69   0.002% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  16.60 +/- 0.98   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  17.26 +/- 1.05   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG3   GLU-  29  16.35 +/- 1.91   0.001% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  17.70 +/- 0.96   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  18.92 +/- 1.18   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  25.28 +/- 0.85   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  27.80 +/- 1.66   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  27.54 +/- 1.66   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.16, residual support = 92.2:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00 100.000% * 99.6674% (1.00  10.0 10.00   4.16  92.21) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  15.65 +/- 0.71   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  18.40 +/- 0.84   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  18.65 +/- 1.16   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  27.55 +/- 1.09   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  24.78 +/- 0.96   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  30.33 +/- 2.32   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2192 (2.21, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.4:
    * O T QG    GLN   17 - HB3   GLN   17   2.31 +/- 0.08  99.988% * 98.5118% (0.76  10.0 10.00   4.31  84.43) = 100.000%  kept
        T HB    VAL   70 - HB3   GLN   17  11.14 +/- 1.11   0.010% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLN   17  17.83 +/- 1.03   0.001% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  17.39 +/- 1.07   0.001% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLN   17  19.84 +/- 0.88   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLN   17  20.96 +/- 1.59   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  20.46 +/- 1.46   0.000% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 84.4:
    * O T HA    GLN   17 - HB3   GLN   17   2.70 +/- 0.31  95.933% * 99.5390% (1.00  10.0 10.00   4.00  84.43) =  99.998%  kept
          HA    GLU-  15 - HB3   GLN   17   5.22 +/- 0.61   3.972% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   13 - HB3   GLN   17  10.35 +/- 1.24   0.076% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   GLN   17  13.69 +/- 1.40   0.007% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   17  14.59 +/- 0.82   0.005% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   GLN   17  16.71 +/- 0.95   0.002% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   GLN   17  18.60 +/- 1.33   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   GLN   17  16.66 +/- 1.18   0.003% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2196 (2.01, 1.79, 31.50 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  99.925% * 97.4347% (1.00  10.0 10.00   4.00  84.43) =  99.999%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.37 +/- 0.40   0.047% *  0.9743% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB3   GLN   17  10.62 +/- 3.21   0.007% *  0.7802% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   GLN   17   7.83 +/- 0.89   0.017% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HB3   GLN   17  13.57 +/- 1.07   0.001% *  0.4006% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   GLN   17  12.00 +/- 2.17   0.002% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  13.96 +/- 1.15   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   GLN   17  20.52 +/- 0.91   0.000% *  0.0922% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  21.68 +/- 1.52   0.000% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  18.51 +/- 1.10   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  25.43 +/- 0.80   0.000% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  22.29 +/- 1.40   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.916, support = 3.1, residual support = 47.7:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.85 +/- 0.18  70.711% * 72.0932% (1.00  10.0 10.00   2.96  48.38) =  86.705%  kept
      O T HG3   MET   11 - HA    MET   11   3.43 +/- 0.57  29.206% * 26.7625% (0.37  10.0 10.00   4.00  43.35) =  13.294%  kept
        T HG3   MET   11 - HA    GLU-  14  10.44 +/- 0.88   0.043% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HA    MET   11  10.70 +/- 1.04   0.037% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  16.27 +/- 1.54   0.002% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  21.56 +/- 1.08   0.000% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  21.70 +/- 1.58   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  22.71 +/- 2.88   0.000% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  29.69 +/- 2.13   0.000% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  28.89 +/- 1.58   0.000% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  30.90 +/- 2.58   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  37.85 +/- 2.46   0.000% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2207 (2.01, 2.01, 31.54 ppm):
    2 diagonal assignments:
    *     QB    GLU-  15 - QB    GLU-  15  (0.99)  kept
          HB2   GLN   17 - HB2   GLN   17  (0.98)  kept
 
    Peak 2213 (4.91, 4.91, 52.55 ppm):
    1 diagonal assignment:
    *     HA    MET   92 - HA    MET   92  (1.00)  kept
 
    Peak 2215 (1.89, 1.89, 34.43 ppm):
    1 diagonal assignment:
    *     HB2   MET   92 - HB2   MET   92  (1.00)  kept
 
    Peak 2216 (1.69, 1.69, 34.43 ppm):
    1 diagonal assignment:
    *     HB3   MET   92 - HB3   MET   92  (1.00)  kept
 
    Peak 2219 (1.89, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 62.2:
    * O T HB2   MET   92 - HA    MET   92   2.83 +/- 0.25  99.488% * 99.5277% (1.00  10.0 10.00   3.87  62.19) = 100.000%  kept
          HB    ILE   56 - HA    MET   92   8.83 +/- 2.06   0.265% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    MET   92   8.25 +/- 0.68   0.195% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    MET   92  11.63 +/- 0.33   0.023% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    MET   92  12.12 +/- 1.73   0.024% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   92  15.86 +/- 1.27   0.004% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  21.20 +/- 1.41   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  30.12 +/- 0.74   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  24.00 +/- 1.28   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  27.18 +/- 1.57   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  37.30 +/- 2.09   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2220 (1.69, 4.91, 52.55 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.23, residual support = 61.7:
    * O T HB3   MET   92 - HA    MET   92   2.87 +/- 0.08  95.262% * 83.8270% (1.00  10.0 10.00   4.22  62.19) =  99.126%  kept
          HG3   PRO   93 - HA    MET   92   4.99 +/- 0.70   4.528% * 15.5550% (0.76   1.0  1.00   4.86   1.71) =   0.874%  kept
          QG1   ILE   56 - HA    MET   92   8.70 +/- 1.33   0.170% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    MET   92  12.16 +/- 1.73   0.024% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    MET   92  13.14 +/- 0.59   0.011% *  0.0700% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    MET   92  16.53 +/- 1.43   0.003% *  0.0809% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  22.81 +/- 0.65   0.000% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  23.12 +/- 1.21   0.000% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  22.44 +/- 1.41   0.000% *  0.0475% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    MET   92  27.89 +/- 0.73   0.000% *  0.1866% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2221 (2.31, 2.31, 33.13 ppm):
    1 diagonal assignment:
    *     HG2   MET   92 - HG2   MET   92  (1.00)  kept
 
    Peak 2222 (2.24, 2.24, 33.13 ppm):
    1 diagonal assignment:
    *     HG3   MET   92 - HG3   MET   92  (1.00)  kept
 
    Peak 2223 (2.31, 4.91, 52.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.49, residual support = 62.2:
    * O T HG2   MET   92 - HA    MET   92   2.63 +/- 0.34  65.168% * 99.5593% (1.00  10.0 10.00   2.49  62.19) =  99.965%  kept
          HG2   PRO   52 - HA    MET   92   3.74 +/- 1.63  34.793% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.035%
          QG    GLU- 114 - HA    MET   92  11.21 +/- 1.28   0.033% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    MET   92  14.79 +/- 2.33   0.006% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    MET   92  24.05 +/- 2.05   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    MET   92  32.21 +/- 1.39   0.000% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  33.16 +/- 2.02   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 62.2:
    * O T HG3   MET   92 - HA    MET   92   2.97 +/- 0.67  99.106% * 99.3565% (1.00  10.0 10.00   3.97  62.19) = 100.000%  kept
          QG    GLN   90 - HA    MET   92   8.12 +/- 0.75   0.716% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   92  11.70 +/- 0.87   0.067% *  0.1966% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   92  12.62 +/- 1.98   0.084% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   92  15.18 +/- 1.00   0.012% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    MET   92  16.37 +/- 0.62   0.007% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  17.40 +/- 1.39   0.006% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   92  24.69 +/- 1.67   0.001% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  24.57 +/- 1.55   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  27.84 +/- 1.18   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  23.06 +/- 1.37   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2226 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 2228 (2.04, 1.87, 37.27 ppm):
    11 chemical-shift based assignments, quality = 0.923, support = 1.32, residual support = 5.46:
          HB    VAL  108 - QB    LYS+ 106   4.21 +/- 0.10  97.714% * 79.8667% (0.92  1.00   1.32   5.47) =  99.972%  kept
          HB2   PRO   93 - QB    LYS+ 106   9.28 +/- 0.97   1.130% *  0.7425% (0.57  1.00   0.02   0.02) =   0.011%
        T HB2   GLN   30 - QB    LYS+ 106  15.09 +/- 0.49   0.048% * 13.1146% (1.00 10.00   0.02   0.02) =   0.008%
          HB    ILE  119 - QB    LYS+ 106  11.52 +/- 1.09   0.273% *  1.3115% (1.00  1.00   0.02   0.02) =   0.005%
          HB2   LYS+ 111 - QB    LYS+ 106  10.14 +/- 1.50   0.687% *  0.2920% (0.22  1.00   0.02   0.02) =   0.003%
          HB3   GLU- 100 - QB    LYS+ 106  14.89 +/- 0.55   0.052% *  1.2999% (0.99  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QB    LYS+ 106  17.20 +/- 0.68   0.022% *  1.1376% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QB    LYS+ 106  17.83 +/- 0.78   0.018% *  1.1376% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QB    LYS+ 106  17.72 +/- 1.37   0.022% *  0.6384% (0.49  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QB    LYS+ 106  17.34 +/- 1.01   0.022% *  0.2297% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QB    LYS+ 106  18.75 +/- 0.88   0.013% *  0.2297% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 12 structures by 0.90 A, kept.
 
    Peak 2229 (9.12, 3.71, 61.73 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 4.64, residual support = 27.3:
      O   HN    ASP-  76 - HA    VAL   75   2.20 +/- 0.02  99.934% * 99.8873% (0.76  10.0   4.64  27.25) = 100.000%  kept
          HN    HIS   22 - HA    VAL   75   7.66 +/- 0.59   0.066% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HA    VAL   75  16.76 +/- 0.60   0.001% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.79 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 = 5.27, residual support = 84.4:
      O   HN    VAL   75 - HA    VAL   75   2.93 +/- 0.00  99.449% * 99.8946% (0.90  10.0   5.27  84.40) =  99.999%  kept
          HN    ASP-  78 - HA    VAL   75   6.98 +/- 0.17   0.551% *  0.1054% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.62 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 = 18.0:
          HA    PHE   45 - HB    VAL   75   2.97 +/- 1.00  99.920% * 89.9031% (0.45   0.75  17.96) =  99.995%  kept
          HA    VAL   41 - HB    VAL   75  12.06 +/- 0.53   0.077% *  5.1606% (0.97   0.02   0.02) =   0.004%
          HA    HIS  122 - HB    VAL   75  20.79 +/- 1.45   0.002% *  4.9363% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 3 structures by 0.24 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.0, residual support = 18.0:
          QD    PHE   45 - HB    VAL   75   3.46 +/- 0.74  99.988% * 98.4856% (0.87   2.00  17.96) = 100.000%  kept
          HD2   HIS  122 - HB    VAL   75  17.31 +/- 1.35   0.009% *  0.7799% (0.69   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB    VAL   75  22.56 +/- 1.92   0.003% *  0.7345% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 2 structures by 0.22 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.637, support = 0.02, residual support = 0.678:
        T HZ    PHE   72 - HB    VAL   75  14.08 +/- 1.31   6.230% * 97.5882% (0.80 10.00   0.02   0.02) =  72.887%  kept
          HZ2   TRP   27 - HB    VAL   75   8.47 +/- 1.27  93.770% *  2.4118% (0.20  1.00   0.02   2.45) =  27.113%  kept
    Distance limit 3.99 A violated in 19 structures by 4.41 A, eliminated.
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.51, residual support = 84.4:
      O   HN    VAL   75 - HB    VAL   75   2.75 +/- 0.46  99.644% * 99.9348% (0.99  10.0   4.51  84.40) = 100.000%  kept
          HN    ASP-  78 - HB    VAL   75   7.82 +/- 0.28   0.356% *  0.0652% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.31, residual support = 18.0:
        T QE    PHE   45 - QG1   VAL   75   2.69 +/- 0.32  99.932% * 99.5846% (0.34 10.00   2.31  17.96) = 100.000%  kept
          QD    PHE   72 - QG1   VAL   75   9.87 +/- 0.66   0.058% *  0.1536% (0.53  1.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - QG1   VAL   75  13.31 +/- 1.14   0.010% *  0.2618% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.96, residual support = 18.0:
          QD    PHE   45 - QG1   VAL   75   2.21 +/- 0.36  99.998% * 99.5615% (1.00   2.96  17.96) = 100.000%  kept
          HD2   HIS  122 - QG1   VAL   75  15.73 +/- 0.72   0.001% *  0.2302% (0.34   0.02   0.02) =   0.000%
          HE22  GLN  116 - QG1   VAL   75  19.90 +/- 1.36   0.000% *  0.2083% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 0.899, support = 5.14, residual support = 81.2:
          HN    VAL   75 - QG1   VAL   75   3.48 +/- 0.30  91.279% * 70.8876% (0.90   5.27  84.40) =  96.224%  kept
          HN    ASP-  78 - QG1   VAL   75   5.21 +/- 0.16   8.721% * 29.1124% (0.95   2.05   0.02) =   3.776%  kept
    Distance limit 3.71 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 = 27.3:
          HN    ASP-  76 - QG1   VAL   75   2.94 +/- 0.24  99.796% * 99.1034% (0.41   4.97  27.25) =  99.999%  kept
          HN    HIS   22 - QG1   VAL   75   8.64 +/- 0.48   0.180% *  0.1920% (0.20   0.02   0.02) =   0.000%
          HN    VAL  108 - QG1   VAL   75  12.24 +/- 0.56   0.023% *  0.7046% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2239 (3.09, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 0.75, residual support = 2.39:
          HB2   CYS   21 - QG2   VAL   75   4.27 +/- 0.53  98.629% * 98.7151% (0.76   0.75   2.39) =  99.991%  kept
          QE    LYS+  81 - QG2   VAL   75   9.18 +/- 0.68   1.324% *  0.6032% (0.18   0.02   0.02) =   0.008%
          QE    LYS+ 111 - QG2   VAL   75  16.19 +/- 0.98   0.047% *  0.6817% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 7 structures by 0.76 A, kept.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.732, support = 0.774, residual support = 16.4:
          HZ    PHE   45 - QG2   VAL   75   3.83 +/- 0.42  87.245% * 56.4295% (0.76   0.75  17.96) =  89.857%  kept
          HZ3   TRP   27 - QG2   VAL   75   5.58 +/- 0.72  12.755% * 43.5705% (0.45   0.99   2.45) =  10.143%  kept
    Distance limit 3.27 A violated in 3 structures by 0.50 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.0, residual support = 18.0:
          QE    PHE   45 - QG2   VAL   75   3.26 +/- 0.43  99.381% * 98.7242% (0.97   2.00  17.96) =  99.994%  kept
          QD    PHE   72 - QG2   VAL   75   8.22 +/- 0.62   0.551% *  1.0207% (1.00   0.02   0.02) =   0.006%
          HZ    PHE   72 - QG2   VAL   75  11.63 +/- 0.94   0.069% *  0.2551% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.798, support = 0.924, residual support = 2.4:
          HE3   TRP   27 - QG2   VAL   75   4.59 +/- 0.63  62.267% * 75.7685% (0.80   0.94   2.45) =  98.115%  kept
          HN    THR   23 - QG2   VAL   75   5.23 +/- 0.52  32.080% *  1.9391% (0.97   0.02   0.02) =   1.294%  kept
          HD2   HIS   22 - QG2   VAL   75   8.86 +/- 0.41   1.202% * 16.6599% (0.20   0.84   0.02) =   0.417%
          QE    PHE   95 - QG2   VAL   75   7.69 +/- 0.75   4.088% *  1.9695% (0.98   0.02   0.02) =   0.167%
          HD1   TRP   49 - QG2   VAL   75  12.19 +/- 1.19   0.215% *  0.6202% (0.31   0.02   0.02) =   0.003%
          QD    PHE   55 - QG2   VAL   75  15.02 +/- 1.04   0.066% *  1.7429% (0.87   0.02   0.02) =   0.002%
          HN    LEU   67 - QG2   VAL   75  14.07 +/- 0.48   0.082% *  1.2998% (0.65   0.02   0.02) =   0.002%
    Distance limit 3.46 A violated in 7 structures by 0.79 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.12, residual support = 84.4:
          HN    VAL   75 - QG2   VAL   75   3.06 +/- 0.53  99.297% * 99.5896% (0.90   5.12  84.40) =  99.997%  kept
          HN    ASP-  78 - QG2   VAL   75   7.44 +/- 0.22   0.703% *  0.4104% (0.95   0.02   0.02) =   0.003%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2244 (9.15, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG2   VAL   75   6.35 +/- 0.41  98.412% * 48.3894% (0.61   0.02   0.02) =  98.308%  kept
          HN    VAL  108 - QG2   VAL   75  12.69 +/- 0.63   1.588% * 51.6106% (0.65   0.02   0.02) =   1.692%  kept
    Distance limit 3.89 A violated in 20 structures by 2.44 A, eliminated.
    Peak unassigned.
 
    Peak 2245 (9.13, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.152, support = 3.75, residual support = 36.1:
      O   HN    ASP-  76 - HB3   ASP-  76   3.10 +/- 0.33  99.998% * 99.4520% (0.15  10.0   3.75  36.08) = 100.000%  kept
          HN    VAL  108 - HB3   ASP-  76  19.17 +/- 0.58   0.002% *  0.5480% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2246 (9.12, 2.90, 42.19 ppm):
    9 chemical-shift based assignments, quality = 0.411, support = 3.71, residual support = 36.1:
      O   HN    ASP-  76 - HB2   ASP-  76   2.35 +/- 0.45  99.935% * 99.6604% (0.41  10.0   3.71  36.08) = 100.000%  kept
          HN    HIS   22 - HB2   ASP-  76   9.17 +/- 1.13   0.035% *  0.0480% (0.20   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  10.50 +/- 1.31   0.025% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HB2   ASP-  76  19.25 +/- 0.63   0.001% *  0.1760% (0.73   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  16.51 +/- 1.70   0.002% *  0.0366% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  16.21 +/- 1.27   0.002% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  66  21.55 +/- 0.68   0.000% *  0.0207% (0.09   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  23.55 +/- 1.02   0.000% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  22.53 +/- 0.73   0.000% *  0.0100% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2247 (8.10, 3.58, 65.17 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 0.523, residual support = 0.522:
          HN    LEU   80 - HA    THR   77   4.11 +/- 0.70  99.428% * 86.4985% (0.38   0.52   0.52) =  99.964%  kept
          HN    CYS   53 - HA    THR   77  12.32 +/- 0.93   0.400% *  5.3472% (0.61   0.02   0.02) =   0.025%
          HN    THR   26 - HA    THR   77  12.47 +/- 0.80   0.161% *  5.7031% (0.65   0.02   0.02) =   0.011%
          HN    ALA   34 - HA    THR   77  20.29 +/- 0.57   0.011% *  2.4512% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 3 structures by 0.61 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 2248 (8.54, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 4.61, residual support = 28.4:
      O   HN    ASP-  78 - HA    THR   77   3.49 +/- 0.04  98.552% * 99.8470% (0.65  10.0   4.61  28.42) =  99.998%  kept
          HN    VAL   75 - HA    THR   77   7.09 +/- 0.25   1.448% *  0.1530% (0.99   1.0   0.02   0.34) =   0.002%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2249 (9.29, 3.58, 65.17 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.02, residual support = 37.8:
      O   HN    THR   77 - HA    THR   77   2.76 +/- 0.01 100.000% *100.0000% (0.53  10.0   4.02  37.77) = 100.000%  kept
    Distance limit 3.43 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 = 2.25, residual support = 8.41:
        T QD    PHE   45 - QG2   THR   77   3.15 +/- 0.51 100.000% *100.0000% (0.80 10.00   2.25   8.41) = 100.000%  kept
    Distance limit 3.12 A violated in 1 structures by 0.23 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.6, residual support = 12.0:
          HN    THR   46 - QG2   THR   77   3.01 +/- 0.34  95.841% * 98.1631% (0.87   3.60  11.99) =  99.981%  kept
          HN    MET   92 - QG2   THR   77   5.90 +/- 0.86   4.010% *  0.4322% (0.69   0.02   0.02) =   0.018%
          HN    LYS+  74 - QG2   THR   77   9.08 +/- 0.38   0.140% *  0.6167% (0.98   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   77  14.73 +/- 0.83   0.009% *  0.3310% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   77  28.02 +/- 1.65   0.000% *  0.4569% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2252 (9.28, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.02, residual support = 37.8:
          HN    THR   77 - QG2   THR   77   2.02 +/- 0.18 100.000% *100.0000% (0.87   4.02  37.77) = 100.000%  kept
    Distance limit 3.02 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 = 8.12:
          HA    ALA   20 - HB2   LYS+  74   3.83 +/- 0.22  99.736% * 98.6222% (0.61   1.50   8.12) =  99.996%  kept
          HA    LEU   71 - HB2   LYS+  74  10.59 +/- 0.76   0.264% *  1.3778% (0.64   0.02   0.02) =   0.004%
    Distance limit 3.66 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 2.88, residual support = 8.12:
          HA    ALA   20 - HB3   LYS+  74   3.28 +/- 0.29  99.913% * 99.2764% (0.76   2.88   8.12) =  99.999%  kept
          HA    LEU   71 - HB3   LYS+  74  11.05 +/- 0.70   0.087% *  0.7236% (0.80   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.2, residual support = 186.8:
      O   HA    LYS+  74 - HB3   LYS+  74   2.95 +/- 0.07  99.977% * 99.8966% (0.80  10.0   6.20 186.82) = 100.000%  kept
          HA    THR   94 - HB3   LYS+  74  13.16 +/- 0.49   0.013% *  0.0757% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   LYS+  74  14.45 +/- 1.43   0.009% *  0.0278% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2256 (5.05, 2.06, 34.10 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 5.98, residual support = 132.3:
      O T HA    PRO   93 - HB2   PRO   93   2.54 +/- 0.21  99.999% * 99.9221% (0.49  10.0 10.00   5.98 132.30) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  19.76 +/- 0.66   0.001% *  0.0779% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.439, support = 1.71, residual support = 1.61:
          HB3   MET   92 - HB3   PRO   93   4.93 +/- 0.49  27.773% * 75.1130% (0.41  1.00   1.82   1.71) =  94.055%  kept
          QG1   ILE   56 - HB3   PRO   93   4.16 +/- 0.88  71.450% *  1.8020% (0.90  1.00   0.02   0.02) =   5.805%  kept
        T HD2   LYS+ 111 - HB3   PRO   93  10.60 +/- 1.17   0.362% *  6.2017% (0.31 10.00   0.02   0.02) =   0.101%
        T HB2   LEU   73 - HB3   PRO   93  14.19 +/- 1.10   0.040% * 11.3758% (0.57 10.00   0.02   0.02) =   0.021%
          QD    LYS+ 106 - HB3   PRO   93  11.25 +/- 0.67   0.140% *  1.5356% (0.76  1.00   0.02   0.02) =   0.010%
          HB    ILE   89 - HB3   PRO   93  10.56 +/- 0.60   0.225% *  0.7541% (0.38  1.00   0.02   0.02) =   0.008%
          QD    LYS+  99 - HB3   PRO   93  19.24 +/- 1.01   0.006% *  1.6089% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   PRO   93  20.16 +/- 1.09   0.004% *  1.6089% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.43 A, kept.
 
    Peak 2258 (2.07, 1.36, 34.10 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 132.3:
      O   HB2   PRO   93 - HB3   PRO   93   1.75 +/- 0.00  99.908% * 99.4465% (0.80  10.0   6.01 132.30) = 100.000%  kept
          HG3   PRO   52 - HB3   PRO   93   7.00 +/- 1.57   0.069% *  0.0853% (0.69   1.0   0.02   1.02) =   0.000%
          HB    VAL  108 - HB3   PRO   93   8.10 +/- 1.04   0.014% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   PRO   93   9.73 +/- 0.94   0.004% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB3   PRO   93   9.74 +/- 0.70   0.004% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  12.02 +/- 1.09   0.001% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  19.40 +/- 0.72   0.000% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  24.12 +/- 1.33   0.000% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  24.81 +/- 0.79   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  33.86 +/- 1.75   0.000% *  0.0994% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2259 (5.06, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 5.12, residual support = 132.3:
      O   HA    PRO   93 - HB3   PRO   93   2.50 +/- 0.21 100.000% *100.0000% (0.92  10.0   5.12 132.30) = 100.000%  kept
    Distance limit 3.47 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   7.57 +/- 0.62 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.98 A violated in 20 structures by 3.59 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.881, support = 0.02, residual support = 7.65:
          QD1   ILE   19 - HG2   GLN   30   5.42 +/- 0.86  69.820% * 19.6388% (0.95   0.02   9.84) =  77.702%  kept
          QG1   VAL   43 - HG2   GLN   30   7.36 +/- 0.83  14.361% * 14.2607% (0.69   0.02   0.02) =  11.605%  kept
          QG1   VAL   41 - HG2   GLN   30   7.82 +/- 1.10  12.519% * 10.1053% (0.49   0.02   0.02) =   7.169%  kept
          QG2   VAL   18 - HG2   GLN   30   9.67 +/- 0.59   2.531% * 18.6188% (0.90   0.02   0.02) =   2.671%  kept
          QG2   THR   46 - HG2   GLN   30  12.24 +/- 0.62   0.636% * 20.0355% (0.97   0.02   0.02) =   0.722%  kept
          QD2   LEU  104 - HG2   GLN   30  16.01 +/- 1.00   0.133% * 17.3408% (0.84   0.02   0.02) =   0.131%
    Distance limit 3.70 A violated in 16 structures by 1.35 A, eliminated.
    Peak unassigned.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 0.75, residual support = 4.77:
        T QG2   THR   26 - HG2   GLN   30   2.53 +/- 0.44  99.943% * 87.3618% (0.61 10.00   0.75   4.77) = 100.000%  kept
        T HD3   LYS+  74 - HG2   GLN   30  12.87 +/- 0.49   0.009% *  2.1746% (0.57 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   GLN   30   9.75 +/- 0.46   0.044% *  0.1310% (0.34  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG2   GLN   30  19.78 +/- 0.96   0.001% *  3.8324% (1.00 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG2   GLN   30  22.41 +/- 2.35   0.001% *  2.9354% (0.76 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HG2   GLN   30  23.18 +/- 1.62   0.000% *  2.7891% (0.73 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   GLN   30  18.23 +/- 2.15   0.002% *  0.2638% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   GLN   30  17.84 +/- 1.07   0.001% *  0.2789% (0.73  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG2   GLN   30  25.77 +/- 1.78   0.000% *  0.2330% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 6.98, residual support = 232.1:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.72 +/- 0.26  99.986% * 99.8036% (0.95  10.0 10.00   6.98 232.12) = 100.000%  kept
          QB    ALA   47 - HB3   LYS+ 112  13.89 +/- 1.38   0.009% *  0.0946% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   LYS+ 112  15.42 +/- 1.60   0.005% *  0.1018% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2266 (3.47, 1.19, 32.81 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 6.21, residual support = 232.1:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.59 +/- 0.26  99.997% * 99.8561% (0.73  10.0 10.00   6.21 232.12) = 100.000%  kept
          HB2   HIS  122 - HB3   LYS+ 112  16.94 +/- 1.44   0.001% *  0.0617% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   LYS+ 112  16.84 +/- 1.84   0.002% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  31.63 +/- 1.60   0.000% *  0.0516% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2267 (8.49, 1.19, 32.81 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.67, residual support = 232.1:
      O   HN    LYS+ 112 - HB3   LYS+ 112   3.10 +/- 0.56  99.982% * 99.7523% (0.97  10.0   5.67 232.12) = 100.000%  kept
          HN    MET   92 - HB3   LYS+ 112  14.84 +/- 1.69   0.013% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HB3   LYS+ 112  18.28 +/- 1.38   0.004% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   LYS+ 112  22.51 +/- 1.54   0.001% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  40.39 +/- 2.40   0.000% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.72, residual support = 232.1:
      O   HN    LYS+ 112 - HB2   LYS+ 112   2.53 +/- 0.54  99.899% * 99.6310% (0.84  10.0   5.72 232.12) = 100.000%  kept
          HN    LYS+  74 - HB    VAL   42   8.98 +/- 0.47   0.098% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    VAL   42  19.97 +/- 1.46   0.001% *  0.0840% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  18.37 +/- 0.38   0.001% *  0.0343% (0.29   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  23.85 +/- 2.13   0.000% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB2   LYS+ 112  23.05 +/- 1.54   0.000% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   LYS+ 112  22.75 +/- 1.51   0.000% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  40.91 +/- 2.54   0.000% *  0.0772% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2269 (5.28, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.26, residual support = 5.35:
          HA    PHE   72 - HB    VAL   42   3.38 +/- 0.53  99.201% * 99.0439% (0.85   2.26   5.35) =  99.998%  kept
          HA    MET   96 - HB    VAL   42   8.24 +/- 0.38   0.784% *  0.1986% (0.19   0.02   0.02) =   0.002%
          HA    PHE   72 - HB2   LYS+ 112  20.71 +/- 1.39   0.004% *  0.6172% (0.60   0.02   0.02) =   0.000%
          HA    MET   96 - HB2   LYS+ 112  17.23 +/- 0.91   0.010% *  0.1402% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 1 structures by 0.09 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.71, residual support = 88.6:
      O   HN    VAL   42 - HB    VAL   42   2.44 +/- 0.11  97.635% * 99.5896% (0.80  10.0   5.72  88.62) =  99.998%  kept
          HN    LEU   73 - HB    VAL   42   4.71 +/- 0.44   2.260% *  0.0996% (0.80   1.0   0.02   1.11) =   0.002%
          HN    ILE   19 - HB    VAL   42   7.85 +/- 0.50   0.094% *  0.0300% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    VAL   42  11.71 +/- 0.63   0.008% *  0.0698% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB2   LYS+ 112  14.54 +/- 0.72   0.002% *  0.0493% (0.40   1.0   0.02   0.02) =   0.000%
          HN    LEU   73 - HB2   LYS+ 112  20.84 +/- 1.51   0.000% *  0.0703% (0.57   1.0   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  22.67 +/- 1.50   0.000% *  0.0703% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  23.20 +/- 1.59   0.000% *  0.0212% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.254, support = 0.898, residual support = 2.51:
          QD    PHE   55 - HB2   LYS+ 112   4.72 +/- 1.45  84.557% * 15.9790% (0.12   0.99   3.40) =  71.557%  kept
          QD    PHE   60 - HB    VAL   42   8.33 +/- 1.41   7.095% * 63.3886% (0.66   0.72   0.33) =  23.819%  kept
          HE3   TRP   27 - HB    VAL   42   8.71 +/- 0.97   6.356% * 13.4946% (0.22   0.47   0.02) =   4.543%  kept
          HN    LYS+  66 - HB    VAL   42  10.48 +/- 0.37   1.484% *  0.6447% (0.24   0.02   0.02) =   0.051%
          QD    PHE   60 - HB2   LYS+ 112  12.62 +/- 1.57   0.359% *  1.2507% (0.47   0.02   0.02) =   0.024%
          HN    LYS+  81 - HB    VAL   42  19.50 +/- 0.49   0.035% *  2.2984% (0.86   0.02   0.02) =   0.004%
          HN    LYS+  66 - HB2   LYS+ 112  17.51 +/- 1.36   0.056% *  0.4550% (0.17   0.02   0.02) =   0.001%
          QD    PHE   55 - HB    VAL   42  18.34 +/- 1.04   0.048% *  0.4589% (0.17   0.02   0.02) =   0.001%
          HN    LYS+  81 - HB2   LYS+ 112  26.95 +/- 1.37   0.004% *  1.6220% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LYS+ 112  25.72 +/- 1.39   0.006% *  0.4081% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 9 structures by 0.88 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.463, support = 0.956, residual support = 5.35:
        T QD    PHE   72 - HB    VAL   42   3.99 +/- 0.73  90.063% * 81.1256% (0.46 10.00   0.95   5.35) =  98.038%  kept
          HZ    PHE   72 - HB    VAL   42   6.15 +/- 0.84   8.453% * 17.2773% (0.78  1.00   1.19   5.35) =   1.960%  kept
          QE    PHE   45 - HB    VAL   42   8.79 +/- 0.39   1.433% *  0.1106% (0.30  1.00   0.02   0.02) =   0.002%
        T QD    PHE   72 - HB2   LYS+ 112  17.46 +/- 0.95   0.019% *  1.2034% (0.32 10.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - HB2   LYS+ 112  18.38 +/- 1.75   0.011% *  0.2051% (0.55  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - HB2   LYS+ 112  18.13 +/- 0.98   0.020% *  0.0780% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 3 structures by 0.32 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   2.54 +/- 0.18  99.974% * 99.2681% (0.14  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA1   GLY  101  10.20 +/- 1.05   0.026% *  0.7319% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.91 +/- 0.05  99.945% * 99.7871% (0.38  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA2   GLY  101  10.30 +/- 0.65   0.055% *  0.2129% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 1.71, residual support = 5.18:
      O   HN    SER   13 - HA    ALA   12   2.50 +/- 0.17  99.998% * 99.9813% (0.84  10.0   1.71   5.18) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  15.95 +/- 1.28   0.002% *  0.0187% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 12.3:
      O   HN    ALA   12 - HA    ALA   12   2.77 +/- 0.20  99.998% * 99.8617% (0.85  10.0   2.38  12.31) = 100.000%  kept
          HN    ASN   35 - HA    ALA   12  19.43 +/- 2.91   0.002% *  0.0618% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ALA   12  27.12 +/- 2.01   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  33.57 +/- 1.28   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 2.3, residual support = 12.3:
      O   HN    ALA   12 - QB    ALA   12   2.75 +/- 0.22  99.994% * 99.7294% (0.46  10.0   2.30  12.31) = 100.000%  kept
          HN    ASN   35 - QB    ALA   12  16.27 +/- 2.52   0.005% *  0.1891% (0.87   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    ALA   12  20.56 +/- 1.92   0.001% *  0.0359% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    ALA   12  21.52 +/- 1.82   0.000% *  0.0456% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2278 (8.39, 4.29, 56.56 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 3.49, residual support = 12.2:
      O   HN    ALA   12 - HA    MET   11   2.51 +/- 0.09  99.908% * 99.5700% (0.65  10.0   3.49  12.19) = 100.000%  kept
          HN    ALA   12 - HA    GLU-  14   8.26 +/- 0.67   0.089% *  0.0391% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    MET   11  20.57 +/- 3.34   0.001% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    GLU-  14  16.95 +/- 1.13   0.001% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  21.64 +/- 1.20   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  29.68 +/- 2.00   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  27.51 +/- 0.98   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  36.61 +/- 1.45   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 3.56, residual support = 12.2:
          HN    ALA   12 - HG3   MET   11   3.73 +/- 0.34  99.064% * 98.7208% (0.97   3.56  12.19) =  99.998%  kept
          HN    ALA   12 - HB3   GLU-  14   8.78 +/- 1.06   0.903% *  0.1971% (0.34   0.02   0.02) =   0.002%
          HN    ASN   35 - HB3   GLU-  14  15.42 +/- 1.35   0.024% *  0.1156% (0.20   0.02   0.02) =   0.000%
          HN    ASN   35 - HG3   MET   11  21.48 +/- 3.07   0.004% *  0.3257% (0.57   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   GLU-  14  21.03 +/- 1.38   0.004% *  0.0840% (0.15   0.02   0.02) =   0.000%
          HN    PHE   97 - HG3   MET   11  30.31 +/- 2.07   0.000% *  0.2365% (0.41   0.02   0.02) =   0.000%
          HN    LEU  115 - HB3   GLU-  14  27.65 +/- 1.15   0.001% *  0.0840% (0.15   0.02   0.02) =   0.000%
          HN    LEU  115 - HG3   MET   11  36.99 +/- 1.47   0.000% *  0.2365% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.1, residual support = 6.67:
      O   HN    GLU-  14 - HA    SER   13   2.51 +/- 0.13  99.971% * 99.1146% (0.92  10.0   2.10   6.67) = 100.000%  kept
          HN    GLU-  14 - HA    SER   37  13.27 +/- 2.27   0.008% *  0.0530% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   37  13.15 +/- 0.42   0.005% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   46  13.80 +/- 0.48   0.004% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   37  14.03 +/- 0.75   0.004% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   13  16.71 +/- 1.85   0.002% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  17.87 +/- 1.62   0.001% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  15.16 +/- 0.46   0.002% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  18.16 +/- 0.39   0.001% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  19.24 +/- 3.26   0.001% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  21.52 +/- 2.40   0.000% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   13  18.82 +/- 1.88   0.001% *  0.0331% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  20.18 +/- 0.51   0.000% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  22.48 +/- 1.96   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  23.08 +/- 1.28   0.000% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  19.17 +/- 0.49   0.001% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  25.86 +/- 0.96   0.000% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  29.85 +/- 1.76   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 0.579, support = 0.02, residual support = 0.02:
          HN    LEU   73 - HA    THR   46  10.77 +/- 0.51  38.024% *  7.5418% (0.34   0.02   0.02) =  27.214%  kept
          HN    ILE   19 - HA    SER   13  13.19 +/- 0.86  11.906% * 21.8157% (0.99   0.02   0.02) =  24.650%  kept
          HN    ILE   19 - HA    THR   46  12.39 +/- 0.81  16.938% * 13.2032% (0.60   0.02   0.02) =  21.224%  kept
          HN    VAL   42 - HA    SER   37  12.79 +/- 0.40  13.682% *  6.6588% (0.30   0.02   0.02) =   8.646%  kept
          HN    VAL   42 - HA    SER   13  16.35 +/- 1.73   3.804% * 12.4613% (0.57   0.02   0.02) =   4.498%  kept
          HN    LEU   73 - HA    SER   13  16.11 +/- 1.15   3.669% * 12.4613% (0.57   0.02   0.02) =   4.339%  kept
          HN    VAL   42 - HA    THR   46  14.67 +/- 0.33   5.992% *  7.5418% (0.34   0.02   0.02) =   4.288%  kept
          HN    ILE   19 - HA    SER   37  16.66 +/- 0.68   2.864% * 11.6574% (0.53   0.02   0.02) =   3.168%  kept
          HN    LEU   73 - HA    SER   37  16.43 +/- 0.62   3.121% *  6.6588% (0.30   0.02   0.02) =   1.972%  kept
    Distance limit 3.29 A violated in 20 structures by 5.85 A, eliminated.
    Peak unassigned.
 
    Peak 2282 (7.91, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 3.43, residual support = 26.8:
      O   HN    SER   37 - HB3   SER   37   2.55 +/- 0.33  99.982% * 99.5355% (0.83  10.0   3.43  26.81) = 100.000%  kept
          HN    SER   37 - QB    SER   13  13.42 +/- 2.62   0.011% *  0.0762% (0.63   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    SER   13  15.18 +/- 0.97   0.003% *  0.0288% (0.24   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB3   SER   37  15.60 +/- 0.79   0.002% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  23.80 +/- 1.47   0.000% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  23.06 +/- 1.14   0.000% *  0.0642% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  24.80 +/- 0.75   0.000% *  0.0984% (0.82   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  27.17 +/- 1.07   0.000% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2283 (4.34, 1.92, 30.50 ppm):
    8 chemical-shift based assignments, quality = 0.686, support = 0.02, residual support = 0.02:
          HA    PHE   59 - HB3   GLU-  14  20.99 +/- 1.26  50.159% * 22.8936% (0.69   0.02   0.02) =  59.806%  kept
          HA    TRP   87 - HB3   GLU-  14  26.55 +/- 1.34  12.343% * 33.2545% (1.00   0.02   0.02) =  21.377%  kept
          HA    LEU  104 - HB3   GLU-  14  24.66 +/- 1.49  19.346% * 12.5086% (0.38   0.02   0.02) =  12.603%  kept
          HA    PHE   59 - HG3   MET   11  29.95 +/- 1.80   6.185% *  8.1279% (0.24   0.02   0.02) =   2.618%  kept
          HA    ASP- 113 - HB3   GLU-  14  30.73 +/- 1.35   5.069% *  5.1424% (0.15   0.02   0.02) =   1.357%  kept
          HA    TRP   87 - HG3   MET   11  36.10 +/- 2.25   2.073% * 11.8063% (0.35   0.02   0.02) =   1.275%  kept
          HA    LEU  104 - HG3   MET   11  32.83 +/- 2.26   3.705% *  4.4409% (0.13   0.02   0.02) =   0.857%  kept
          HA    ASP- 113 - HG3   MET   11  39.66 +/- 1.76   1.120% *  1.8257% (0.05   0.02   0.02) =   0.106%
    Distance limit 3.49 A violated in 20 structures by 15.20 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.87, residual support = 48.4:
      O   HN    GLU-  14 - HB3   GLU-  14   3.19 +/- 0.32  99.672% * 99.5831% (0.92  10.0   3.87  48.38) = 100.000%  kept
          HN    GLU-  14 - HG3   MET   11   9.46 +/- 1.08   0.302% *  0.0354% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HB3   GLU-  14  13.93 +/- 1.32   0.019% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  14  19.69 +/- 2.21   0.003% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  14  20.62 +/- 1.53   0.002% *  0.1079% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  21.92 +/- 2.38   0.001% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  27.75 +/- 2.66   0.000% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  26.40 +/- 1.56   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  28.42 +/- 2.44   0.000% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  35.82 +/- 2.23   0.000% *  0.0106% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 3.83, residual support = 48.4:
      O   HN    GLU-  14 - HB2   GLU-  14   3.18 +/- 0.51  99.741% * 99.3938% (0.49  10.0   3.83  48.38) = 100.000%  kept
          HN    GLU-  14 - HG2   MET   11   9.63 +/- 1.01   0.239% *  0.0372% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   GLU-  14  15.80 +/- 1.34   0.009% *  0.0839% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  14  20.04 +/- 2.18   0.003% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  14  21.07 +/- 1.50   0.002% *  0.1483% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  21.50 +/- 3.27   0.003% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ARG+  54  22.19 +/- 2.19   0.001% *  0.0194% (0.10   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  27.75 +/- 2.65   0.000% *  0.0495% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  28.37 +/- 2.48   0.000% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  28.18 +/- 1.09   0.000% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  29.33 +/- 1.86   0.000% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  32.81 +/- 1.39   0.000% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.07, residual support = 6.05:
      O   HN    GLY   16 - HA    GLU-  15   2.55 +/- 0.17  99.987% * 99.5949% (0.97  10.0   2.07   6.05) = 100.000%  kept
          HN    GLY   16 - HA    LEU   40  12.58 +/- 1.32   0.010% *  0.0805% (0.78   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    LEU   40  19.85 +/- 1.20   0.001% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    ASN   35  17.08 +/- 1.36   0.001% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  23.58 +/- 0.87   0.000% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  23.33 +/- 0.91   0.000% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  25.03 +/- 0.88   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  23.86 +/- 1.06   0.000% *  0.0131% (0.13   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  27.27 +/- 1.27   0.000% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2290 (8.81, 4.13, 56.27 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.7, residual support = 94.7:
      O   HN    ASN   28 - HA    ASN   28   2.79 +/- 0.04  99.999% * 99.8927% (0.84  10.0   5.70  94.66) = 100.000%  kept
          HN    ASN   69 - HA    ASN   28  19.74 +/- 0.79   0.001% *  0.1073% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 17.2:
        T HB2   LEU   31 - HA    ASN   28   3.46 +/- 0.25  98.652% * 93.5437% (0.38 10.00   2.56  17.20) =  99.997%  kept
        T QB    ALA   84 - HA    ASN   28  11.94 +/- 0.56   0.065% *  2.4869% (1.00 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HA    ASN   28   9.08 +/- 0.78   0.375% *  0.0935% (0.38  1.00   0.02   0.38) =   0.000%
          HG    LEU   98 - HA    ASN   28  11.11 +/- 1.37   0.134% *  0.2405% (0.97  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    ASN   28   9.49 +/- 1.55   0.495% *  0.0621% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASN   28  10.31 +/- 0.91   0.177% *  0.1311% (0.53  1.00   0.02   1.71) =   0.000%
          HB    VAL   42 - HA    ASN   28  12.51 +/- 0.88   0.052% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ASN   28  14.76 +/- 0.94   0.019% *  0.1905% (0.76  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ASN   28  24.81 +/- 1.72   0.001% *  2.2353% (0.90 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ASN   28  16.16 +/- 1.94   0.016% *  0.1025% (0.41  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASN   28  17.48 +/- 1.09   0.007% *  0.1512% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ASN   28  20.49 +/- 1.00   0.003% *  0.2492% (1.00  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASN   28  19.67 +/- 0.82   0.003% *  0.1612% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ASN   28  23.28 +/- 1.65   0.001% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASN   28  26.61 +/- 2.19   0.001% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASN   28  29.86 +/- 1.19   0.000% *  0.1213% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 3.0, residual support = 17.2:
          HG    LEU   31 - HA    ASN   28   2.83 +/- 0.94  98.992% * 97.1720% (0.61   3.00  17.20) =  99.991%  kept
          QD2   LEU   73 - HA    ASN   28   7.79 +/- 0.50   1.003% *  0.8162% (0.76   0.02   0.38) =   0.009%
          QD1   ILE   56 - HA    ASN   28  20.23 +/- 0.86   0.003% *  1.0308% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    ASN   28  23.24 +/- 1.44   0.001% *  0.8162% (0.76   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    ASN   28  24.25 +/- 1.73   0.001% *  0.1648% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2293 (8.65, 3.96, 45.84 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.6, residual support = 5.21:
      O   HN    GLY   16 - HA2   GLY   16   2.90 +/- 0.02  99.999% * 99.8461% (0.97  10.0   2.60   5.21) = 100.000%  kept
          HN    SER  117 - HA2   GLY   16  21.79 +/- 0.93   0.001% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY   16  27.48 +/- 0.74   0.000% *  0.0711% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2294 (7.70, 3.96, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 16.5:
      O   HN    GLN   17 - HA2   GLY   16   3.47 +/- 0.03  99.644% * 99.5709% (0.65  10.0   3.26  16.50) = 100.000%  kept
          HD21  ASN   69 - HA2   GLY   16  10.06 +/- 1.55   0.295% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA2   GLY   16  12.30 +/- 0.75   0.055% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA2   GLY   16  24.13 +/- 1.28   0.001% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  19.08 +/- 0.66   0.004% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA2   GLY   16  25.69 +/- 0.92   0.001% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  26.15 +/- 0.96   0.001% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2295 (7.70, 4.04, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 16.5:
      O   HN    GLN   17 - HA1   GLY   16   3.22 +/- 0.04  99.544% * 99.5709% (0.65  10.0   3.26  16.50) = 100.000%  kept
          HD21  ASN   69 - HA1   GLY   16   8.90 +/- 1.41   0.396% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA1   GLY   16  11.34 +/- 0.68   0.055% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA1   GLY   16  22.65 +/- 1.37   0.001% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  18.35 +/- 0.85   0.003% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA1   GLY   16  24.33 +/- 1.05   0.001% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  24.84 +/- 1.01   0.000% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 5.21:
      O   HN    GLY   16 - HA1   GLY   16   2.29 +/- 0.02 100.000% * 99.6694% (0.57  10.0   2.60   5.21) = 100.000%  kept
          HN    SER  117 - HA1   GLY   16  20.32 +/- 0.89   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA1   GLY   16  26.52 +/- 0.79   0.000% *  0.1757% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  21.56 +/- 1.36   0.000% *  0.0348% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  23.79 +/- 1.10   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 84.4:
      O T HB3   GLN   17 - QG    GLN   17   2.31 +/- 0.08  98.857% * 99.0943% (0.58  10.0 10.00   4.31  84.43) =  99.999%  kept
          QB    LYS+  65 - QG    GLN   17   7.38 +/- 1.86   0.646% *  0.1251% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HB    VAL   70   6.44 +/- 0.34   0.230% *  0.0260% (0.15   1.0  1.00   0.02  32.57) =   0.000%
          HB2   LEU   71 - QG    GLN   17  10.10 +/- 1.28   0.019% *  0.1271% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HB    VAL   70  11.14 +/- 1.11   0.010% *  0.2030% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB    VAL   70   7.58 +/- 1.44   0.121% *  0.0109% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG    GLN   17  10.15 +/- 1.32   0.024% *  0.0533% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB    VAL   70   9.44 +/- 1.28   0.027% *  0.0256% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   9.49 +/- 0.82   0.025% *  0.0066% (0.04   1.0  1.00   0.02   2.71) =   0.000%
          HB2   LYS+  99 - HB    VAL   70   9.64 +/- 1.07   0.031% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  13.70 +/- 1.11   0.003% *  0.0238% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QG    GLN   17  14.52 +/- 1.19   0.002% *  0.0323% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    GLN   17  18.93 +/- 1.00   0.000% *  0.0891% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG    GLN   17  19.88 +/- 1.02   0.000% *  0.1163% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  17.66 +/- 1.17   0.001% *  0.0200% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  13.56 +/- 1.05   0.003% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  18.79 +/- 1.81   0.000% *  0.0182% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  19.35 +/- 0.88   0.000% *  0.0200% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.491, support = 5.49, residual support = 83.9:
          HN    GLN   17 - QG    GLN   17   2.77 +/- 0.54  92.111% * 88.7293% (0.49   5.50  84.43) =  99.145%  kept
          HD21  ASN   69 - HB    VAL   70   5.08 +/- 1.18   7.350% *  9.5761% (0.07   4.18  27.50) =   0.854%  kept
          HN    ALA   61 - QG    GLN   17  10.50 +/- 1.17   0.142% *  0.2426% (0.37   0.02   0.02) =   0.000%
          HN    GLN   17 - HB    VAL   70   8.38 +/- 0.97   0.334% *  0.0660% (0.10   0.02   0.02) =   0.000%
          HD21  ASN   69 - QG    GLN   17  11.75 +/- 0.98   0.027% *  0.2235% (0.34   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    VAL   70  12.53 +/- 1.42   0.023% *  0.0497% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - QG    GLN   17  14.69 +/- 1.29   0.005% *  0.0769% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG    GLN   17  20.76 +/- 1.08   0.001% *  0.3991% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    VAL   70  17.87 +/- 0.94   0.002% *  0.0818% (0.13   0.02   0.02) =   0.000%
          HN    TRP   87 - QG    GLN   17  21.51 +/- 0.93   0.001% *  0.2426% (0.37   0.02   0.02) =   0.000%
          HN    ALA   91 - QG    GLN   17  21.87 +/- 0.99   0.001% *  0.2049% (0.31   0.02   0.02) =   0.000%
          HN    TRP   87 - HB    VAL   70  20.53 +/- 0.98   0.001% *  0.0497% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  17.05 +/- 0.61   0.003% *  0.0158% (0.02   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  22.19 +/- 1.58   0.001% *  0.0420% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 50.1:
          HN    VAL   18 - QG    GLN   17   3.71 +/- 0.24  99.123% * 99.7451% (0.76   5.81  50.10) =  99.999%  kept
          HN    SER   13 - QG    GLN   17   9.14 +/- 1.16   0.619% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    VAL   18 - HB    VAL   70  10.75 +/- 1.07   0.203% *  0.0703% (0.16   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG    GLN   17  16.45 +/- 1.30   0.015% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  15.67 +/- 1.96   0.032% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB    VAL   70  17.96 +/- 0.73   0.009% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2300 (7.70, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.17, residual support = 84.4:
      O   HN    GLN   17 - HB3   GLN   17   3.14 +/- 0.31  99.907% * 99.5709% (0.65  10.0   5.17  84.43) = 100.000%  kept
          HN    ALA   61 - HB3   GLN   17  11.36 +/- 1.09   0.065% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HB3   GLN   17  13.50 +/- 1.29   0.021% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   GLN   17  16.47 +/- 0.70   0.005% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   GLN   17  23.19 +/- 1.03   0.001% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   GLN   17  23.97 +/- 0.68   0.001% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  24.18 +/- 0.88   0.001% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2301 (8.27, 1.79, 31.50 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 5.47, residual support = 50.1:
          HN    VAL   18 - HB3   GLN   17   3.62 +/- 0.16  99.795% * 99.8371% (1.00   5.47  50.10) = 100.000%  kept
          HN    SER   13 - HB3   GLN   17  10.80 +/- 1.21   0.199% *  0.0814% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   GLN   17  18.57 +/- 0.97   0.006% *  0.0814% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2302 (1.80, 4.42, 54.38 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 84.4:
      O T HB3   GLN   17 - HA    GLN   17   2.70 +/- 0.31  97.544% * 99.4149% (0.76  10.0 10.00   4.00  84.43) =  99.997%  kept
          QB    LYS+  65 - HA    GLN   17   6.40 +/- 1.25   2.309% *  0.1255% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HA    GLN   17   9.39 +/- 1.06   0.104% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    GLN   17  10.71 +/- 0.88   0.035% *  0.1275% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    GLN   17  15.40 +/- 1.05   0.004% *  0.0324% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  18.71 +/- 0.97   0.001% *  0.0894% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    GLN   17  21.13 +/- 1.22   0.001% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  18.51 +/- 1.41   0.001% *  0.0201% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  20.15 +/- 1.14   0.001% *  0.0201% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.185, support = 4.0, residual support = 84.4:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  99.751% * 94.0226% (0.18  10.0 10.00   4.00  84.43) =  99.999%  kept
        T HB3   GLN   17 - QB    GLU-  15   6.37 +/- 0.40   0.047% *  1.0553% (0.21   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   GLN   17 - HB3   PRO   68  10.62 +/- 3.21   0.007% *  2.3590% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   PRO   68   7.39 +/- 1.74   0.043% *  0.2979% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   PRO   68   6.75 +/- 1.04   0.092% *  0.1269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QB    GLU-  15   8.04 +/- 1.53   0.024% *  0.1354% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   GLN   17   8.31 +/- 1.39   0.017% *  0.1187% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB3   PRO   68  11.12 +/- 1.46   0.003% *  0.3026% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QB    GLU-  15   9.28 +/- 0.89   0.006% *  0.1333% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  10.17 +/- 0.94   0.003% *  0.0568% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   GLN   17  11.70 +/- 0.95   0.001% *  0.1206% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  11.60 +/- 1.09   0.001% *  0.0506% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  12.66 +/- 1.61   0.001% *  0.0344% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  18.80 +/- 2.09   0.000% *  0.2768% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  14.93 +/- 2.03   0.001% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  15.96 +/- 0.92   0.000% *  0.0770% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  17.56 +/- 1.14   0.000% *  0.1238% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  14.71 +/- 1.46   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  21.99 +/- 1.13   0.000% *  0.2120% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  16.30 +/- 1.17   0.000% *  0.0307% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  19.83 +/- 1.05   0.000% *  0.0845% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  19.68 +/- 1.61   0.000% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  21.56 +/- 0.82   0.000% *  0.0949% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  22.45 +/- 1.12   0.000% *  0.1103% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  18.05 +/- 1.51   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  20.21 +/- 1.31   0.000% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  21.44 +/- 1.03   0.000% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 35.5:
      O   HA    PRO   68 - HB3   PRO   68   2.35 +/- 0.13  98.371% * 99.9155% (0.19  10.0   2.96  35.51) =  99.999%  kept
          HA    PRO   68 - QB    GLU-  15   6.05 +/- 1.83   1.599% *  0.0447% (0.08   1.0   0.02   0.02) =   0.001%
          HA    PRO   68 - HB2   GLN   17  10.42 +/- 2.60   0.030% *  0.0398% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2305 (8.27, 2.01, 31.84 ppm):
    9 chemical-shift based assignments, quality = 0.241, support = 5.47, residual support = 50.1:
          HN    VAL   18 - HB2   GLN   17   2.31 +/- 0.07  99.484% * 97.9597% (0.24   5.47  50.10) =  99.999%  kept
          HN    SER   13 - QB    GLU-  15   6.85 +/- 1.16   0.440% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    GLU-  15   8.22 +/- 0.26   0.051% *  0.4019% (0.27   0.02   0.02) =   0.000%
          HN    VAL   18 - HB3   PRO   68  11.71 +/- 2.64   0.013% *  0.8984% (0.61   0.02   0.02) =   0.000%
          HN    SER   13 - HB3   PRO   68  14.58 +/- 3.21   0.003% *  0.2005% (0.14   0.02   0.02) =   0.000%
          HN    SER   13 - HB2   GLN   17  11.95 +/- 1.15   0.006% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  15  15.99 +/- 1.23   0.001% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   GLN   17  18.13 +/- 0.46   0.000% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   PRO   68  23.04 +/- 1.41   0.000% *  0.2005% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 50.1:
      O   HN    VAL   18 - HA    GLN   17   2.58 +/- 0.03  99.999% * 99.9233% (0.84  10.0   5.47  50.10) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  18.82 +/- 0.54   0.001% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  23.91 +/- 0.68   0.000% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.63 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 = 0.687, support = 1.22, residual support = 2.44:
        T QB    ALA   64 - HA    GLN   17   3.49 +/- 0.64  99.156% * 97.4159% (0.69 10.00   1.22   2.44) =  99.990%  kept
        T QG1   VAL   42 - HA    GLN   17   8.37 +/- 0.92   0.825% *  1.1300% (0.49 10.00   0.02   0.02) =   0.010%
        T QB    ALA   47 - HA    GLN   17  15.99 +/- 0.77   0.016% *  1.4081% (0.61 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    GLN   17  21.68 +/- 2.24   0.003% *  0.0459% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 6 structures by 0.58 A, kept.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.99, residual support = 76.6:
      O   HN    VAL   18 - HB    VAL   18   2.25 +/- 0.39  99.998% * 99.9233% (0.84  10.0   4.99  76.63) = 100.000%  kept
          HN    GLU-  29 - HB    VAL   18  16.84 +/- 0.53   0.001% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  20.36 +/- 0.81   0.000% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 0.75, residual support = 3.33:
        T HB2   PHE   72 - HA    VAL   18   2.77 +/- 0.34  98.351% * 98.2736% (0.49 10.00   0.75   3.33) =  99.991%  kept
          HA    ALA   64 - HA    VAL   18   6.19 +/- 0.95   1.648% *  0.5277% (0.98  1.00   0.02   8.55) =   0.009%
        T HB3   ASN   35 - HA    VAL   18  18.95 +/- 0.79   0.001% *  1.1986% (0.22 10.00   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 4.87, residual support = 22.7:
      O   HN    ILE   19 - HA    VAL   18   2.25 +/- 0.04  98.734% * 99.7159% (0.73  10.0   4.87  22.72) =  99.998%  kept
          HN    LEU   73 - HA    VAL   18   4.84 +/- 0.55   1.234% *  0.1268% (0.92   1.0   0.02   0.02) =   0.002%
          HN    VAL   42 - HA    VAL   18   8.79 +/- 0.66   0.032% *  0.1268% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   18  17.49 +/- 0.93   0.000% *  0.0306% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.76 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 = 0.541, support = 0.0198, residual support = 0.61:
          HG    LEU   73 - QG1   VAL   18   6.03 +/- 0.60  47.038% *  8.7275% (0.61   0.02   0.02) =  71.216%  kept
          QB    ALA   61 - QG1   VAL   18   6.14 +/- 0.84  45.507% *  2.2202% (0.15   0.02   3.39) =  17.527%  kept
          HG    LEU   67 - QG1   VAL   18  10.76 +/- 1.35   1.787% * 14.3572% (1.00   0.02   0.02) =   4.451%  kept
          HG    LEU   40 - QG1   VAL   18  12.15 +/- 1.03   0.687% * 14.2618% (0.99   0.02   0.02) =   1.700%  kept
          HB3   LEU   67 - QG1   VAL   18  10.10 +/- 1.25   2.307% *  3.5880% (0.25   0.02   0.02) =   1.436%  kept
          QG    LYS+  66 - QG1   VAL   18  11.14 +/- 0.99   1.127% *  5.9156% (0.41   0.02   0.02) =   1.156%  kept
          HB3   LEU  115 - QG1   VAL   18  13.53 +/- 1.18   0.369% * 14.2618% (0.99   0.02   0.02) =   0.912%  kept
          HB3   LEU   40 - QG1   VAL   18  12.19 +/- 1.06   0.710% *  6.4511% (0.45   0.02   0.02) =   0.795%  kept
          HG    LEU  115 - QG1   VAL   18  14.53 +/- 1.42   0.244% *  9.8840% (0.69   0.02   0.02) =   0.419%
          QB    ALA  120 - QG1   VAL   18  14.97 +/- 0.71   0.183% *  9.8840% (0.69   0.02   0.02) =   0.314%
          HG2   LYS+ 102 - QG1   VAL   18  19.53 +/- 1.49   0.040% * 10.4487% (0.73   0.02   0.02) =   0.073%
    Distance limit 2.84 A violated in 20 structures by 2.35 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 = 9.35:
        T QB    ALA   34 - QG1   VAL   41   1.97 +/- 0.29  99.850% * 97.8928% (0.49 10.00   2.96   9.35) = 100.000%  kept
        T QB    ALA   34 - QG2   VAL   18  10.72 +/- 0.48   0.006% *  0.7481% (0.37 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QG2   VAL   18   8.30 +/- 1.21   0.042% *  0.0474% (0.24  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG1   VAL   41   7.64 +/- 0.85   0.049% *  0.0352% (0.18  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG2   VAL   18   9.20 +/- 0.71   0.013% *  0.0932% (0.46  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QG1   VAL   41  14.41 +/- 1.62   0.001% *  0.6207% (0.31 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG2   VAL   18  10.87 +/- 0.58   0.005% *  0.1284% (0.64  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   VAL   41  11.93 +/- 0.74   0.003% *  0.1680% (0.84  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG1   VAL   41  12.98 +/- 0.51   0.002% *  0.1220% (0.61  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD2   LEU  104   8.70 +/- 0.58   0.018% *  0.0053% (0.03  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG1   VAL   41  13.42 +/- 0.59   0.001% *  0.0501% (0.25  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   18  14.73 +/- 0.81   0.001% *  0.0383% (0.19  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104  10.97 +/- 1.12   0.005% *  0.0019% (0.01  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   VAL   18  18.35 +/- 0.96   0.000% *  0.0269% (0.13  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  14.28 +/- 1.09   0.001% *  0.0033% (0.02  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  15.65 +/- 0.70   0.001% *  0.0066% (0.03  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  13.67 +/- 0.97   0.001% *  0.0027% (0.01  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD2   LEU  104  18.05 +/- 0.65   0.000% *  0.0090% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 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 = 3.97, residual support = 74.9:
      O T HB    VAL   41 - QG1   VAL   41   2.13 +/- 0.01  89.528% * 97.9411% (0.84  10.0 10.00   3.97  74.88) =  99.998%  kept
          HB2   LEU   71 - QG1   VAL   41   4.87 +/- 0.81   1.252% *  0.0805% (0.69   1.0  1.00   0.02   4.31) =   0.001%
          QB    LYS+ 102 - QD2   LEU  104   3.71 +/- 0.89   8.097% *  0.0053% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG2   VAL   18   6.85 +/- 1.14   0.143% *  0.0651% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG1   VAL   41   7.60 +/- 1.29   0.075% *  0.0979% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG1   VAL   41   7.14 +/- 0.86   0.087% *  0.0805% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   18   5.59 +/- 0.64   0.381% *  0.0177% (0.15   1.0  1.00   0.02  50.10) =   0.000%
        T HB    VAL   41 - QG2   VAL   18  11.47 +/- 0.80   0.004% *  0.7485% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   18   8.79 +/- 0.95   0.022% *  0.0865% (0.74   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD2   LEU  104   8.33 +/- 0.91   0.031% *  0.0526% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  104   5.86 +/- 0.91   0.332% *  0.0043% (0.04   1.0  1.00   0.02  37.09) =   0.000%
          HB2   LEU   71 - QG2   VAL   18   8.63 +/- 0.60   0.023% *  0.0616% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   18  12.15 +/- 0.76   0.003% *  0.0878% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG1   VAL   41  12.98 +/- 0.48   0.002% *  0.1132% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG1   VAL   41  14.27 +/- 0.57   0.001% *  0.0851% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  14.68 +/- 0.99   0.001% *  0.0616% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  10.61 +/- 1.23   0.009% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  17.45 +/- 0.56   0.000% *  0.1149% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  14.81 +/- 0.98   0.001% *  0.0368% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  16.50 +/- 0.78   0.000% *  0.0748% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  15.03 +/- 1.23   0.001% *  0.0368% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  13.98 +/- 1.23   0.001% *  0.0232% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  12.15 +/- 1.40   0.004% *  0.0061% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  17.74 +/- 1.72   0.000% *  0.0482% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  21.56 +/- 0.70   0.000% *  0.0482% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  13.72 +/- 1.12   0.001% *  0.0026% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  15.22 +/- 1.01   0.001% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  16.85 +/- 0.75   0.000% *  0.0062% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.78 +/- 1.18   0.000% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  21.45 +/- 0.67   0.000% *  0.0026% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2314 (1.49, 0.75, 22.78 ppm):
    24 chemical-shift based assignments, quality = 0.613, support = 2.39, residual support = 12.3:
          HB3   LEU   40 - QG1   VAL   41   5.42 +/- 0.32   3.680% * 83.6711% (0.46   3.81  19.79) =  61.134%  kept
          HG2   LYS+  65 - QG2   VAL   18   6.66 +/- 1.96  14.125% *  8.5014% (0.76   0.23   0.02) =  23.843%  kept
          HB2   LYS+  74 - QG2   VAL   18   3.53 +/- 1.02  79.835% *  0.9400% (0.99   0.02   0.99) =  14.900%  kept
          QG2   THR   26 - QG2   VAL   18   8.64 +/- 0.48   0.237% *  0.7922% (0.84   0.02   0.02) =   0.037%
          QG2   THR   26 - QG1   VAL   41   8.62 +/- 0.92   0.294% *  0.6054% (0.64   0.02   0.02) =   0.035%
          HB3   LEU   40 - QD2   LEU  104   7.48 +/- 1.03   0.903% *  0.0884% (0.09   0.02   0.02) =   0.016%
          HD2   LYS+ 121 - QD2   LEU  104   8.31 +/- 1.50   0.549% *  0.1001% (0.11   0.02   0.02) =   0.011%
          QD    LYS+  66 - QG2   VAL   18  10.15 +/- 0.92   0.100% *  0.2927% (0.31   0.02   0.02) =   0.006%
          HB3   LEU   40 - QG2   VAL   18  11.49 +/- 0.94   0.043% *  0.5753% (0.61   0.02   0.02) =   0.005%
          HB2   LYS+  74 - QG1   VAL   41  12.30 +/- 0.91   0.030% *  0.7184% (0.76   0.02   0.02) =   0.004%
          HD2   LYS+ 121 - QG1   VAL   41  13.66 +/- 2.00   0.021% *  0.4979% (0.52   0.02   0.02) =   0.002%
          HG    LEU  115 - QG2   VAL   18  12.99 +/- 1.30   0.022% *  0.3560% (0.38   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - QG2   VAL   18  14.68 +/- 1.56   0.011% *  0.6515% (0.69   0.02   0.02) =   0.001%
          QB    ALA  120 - QG2   VAL   18  13.49 +/- 0.82   0.015% *  0.3560% (0.38   0.02   0.02) =   0.001%
          QB    ALA  120 - QD2   LEU  104  10.67 +/- 0.93   0.070% *  0.0547% (0.06   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QG1   VAL   41  15.79 +/- 1.07   0.007% *  0.5539% (0.58   0.02   0.02) =   0.001%
          QB    ALA  120 - QG1   VAL   41  14.96 +/- 1.13   0.009% *  0.2720% (0.29   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  14.64 +/- 0.80   0.010% *  0.2237% (0.24   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  15.42 +/- 0.74   0.007% *  0.1217% (0.13   0.02   0.02) =   0.000%
          HG    LEU  115 - QG1   VAL   41  18.21 +/- 1.58   0.003% *  0.2720% (0.29   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  13.64 +/- 1.60   0.018% *  0.0450% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  104  17.47 +/- 0.77   0.003% *  0.1444% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.52 +/- 1.18   0.003% *  0.1114% (0.12   0.02   0.02) =   0.000%
          HG    LEU  115 - QD2   LEU  104  15.63 +/- 1.01   0.007% *  0.0547% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 0.986, residual support = 3.39:
        T HA    ALA   61 - QG2   VAL   18   4.28 +/- 1.05  95.500% * 97.7257% (0.87 10.00   0.99   3.39) =  99.993%  kept
        T HA    ALA   61 - QG1   VAL   41  14.52 +/- 0.81   0.129% *  1.5144% (0.66 10.00   0.02   0.02) =   0.002%
          HD2   PRO   68 - QG2   VAL   18  10.36 +/- 0.98   0.718% *  0.2239% (0.98  1.00   0.02   0.02) =   0.002%
          HA    VAL   24 - QG1   VAL   41  10.58 +/- 0.76   1.013% *  0.0850% (0.37  1.00   0.02   0.02) =   0.001%
          HD2   PRO   68 - QG1   VAL   41  11.91 +/- 1.31   0.493% *  0.1711% (0.75  1.00   0.02   0.02) =   0.001%
          HA    VAL   24 - QG2   VAL   18  11.83 +/- 0.74   0.663% *  0.1112% (0.49  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QG2   VAL   18  10.11 +/- 0.74   0.764% *  0.0452% (0.20  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QD2   LEU  104  12.19 +/- 1.54   0.560% *  0.0344% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QD2   LEU  104  16.52 +/- 0.92   0.065% *  0.0305% (0.13  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG1   VAL   41  18.95 +/- 1.05   0.026% *  0.0346% (0.15  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD2   LEU  104  17.39 +/- 1.07   0.042% *  0.0171% (0.07  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QD2   LEU  104  18.70 +/- 0.88   0.027% *  0.0069% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 14 structures by 1.46 A, kept.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.18, residual support = 74.9:
      O T HA    VAL   41 - QG1   VAL   41   2.48 +/- 0.35  99.528% * 98.8372% (0.65  10.0 10.00   4.18  74.88) =  99.999%  kept
        T HA    VAL   41 - QG2   VAL   18  10.13 +/- 0.66   0.037% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG2   VAL   18   7.51 +/- 0.90   0.180% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   41 - QD2   LEU  104   8.96 +/- 0.57   0.058% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG1   VAL   41  12.32 +/- 0.45   0.009% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG1   VAL   41  13.21 +/- 1.61   0.010% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104   8.58 +/- 1.36   0.172% *  0.0023% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   18  14.29 +/- 1.27   0.005% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  15.89 +/- 0.66   0.002% *  0.0082% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2317 (7.29, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.984, support = 0.0199, residual support = 0.994:
          QD    PHE   60 - QG1   VAL   18   5.41 +/- 0.82  93.727% * 36.4324% (1.00   0.02   1.02) =  96.963%  kept
          HN    LYS+  66 - QG1   VAL   18   9.98 +/- 0.92   2.642% * 25.0257% (0.69   0.02   0.02) =   1.877%  kept
          QE    PHE   59 - QG1   VAL   18  10.38 +/- 1.89   3.120% *  8.1111% (0.22   0.02   0.02) =   0.719%  kept
          HN    LYS+  81 - QG1   VAL   18  13.51 +/- 0.45   0.511% * 30.4309% (0.84   0.02   0.02) =   0.442%
    Distance limit 3.00 A violated in 18 structures by 2.35 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 = 76.6:
          HN    VAL   18 - QG1   VAL   18   3.40 +/- 0.16  99.971% * 99.8233% (0.92   5.49  76.63) = 100.000%  kept
          HN    SER   13 - QG1   VAL   18  13.55 +/- 0.84   0.029% *  0.1767% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.309, support = 0.987, residual support = 0.987:
          HN    LYS+  74 - QG1   VAL   18   3.08 +/- 0.19  99.462% * 88.9046% (0.31   0.99   0.99) =  99.974%  kept
          HN    THR   46 - QG1   VAL   18   7.54 +/- 0.65   0.526% *  4.2382% (0.73   0.02   0.02) =   0.025%
          HN    MET   92 - QG1   VAL   18  14.42 +/- 0.74   0.010% *  5.2344% (0.90   0.02   0.02) =   0.001%
          HN    ASP- 113 - QG1   VAL   18  18.49 +/- 1.06   0.002% *  1.6228% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.87, residual support = 22.7:
          HN    ILE   19 - QG1   VAL   18   2.65 +/- 0.34  94.975% * 99.8056% (0.84   4.87  22.72) =  99.995%  kept
          HN    LEU   73 - QG1   VAL   18   4.67 +/- 0.69   4.930% *  0.0972% (0.20   0.02   0.02) =   0.005%
          HN    VAL   42 - QG1   VAL   18   8.70 +/- 0.92   0.094% *  0.0972% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.8, support = 1.03, residual support = 1.02:
          QD    PHE   60 - QG2   VAL   18   4.18 +/- 0.66  93.321% * 89.2262% (0.80   1.03   1.02) =  99.881%  kept
          HN    LYS+  66 - QG2   VAL   18   7.97 +/- 1.13   3.256% *  2.1174% (0.98   0.02   0.02) =   0.083%
          QE    PHE   59 - QG2   VAL   18   9.13 +/- 1.83   1.416% *  1.2230% (0.57   0.02   0.02) =   0.021%
          QD    PHE   60 - QG1   VAL   41  11.94 +/- 1.09   0.312% *  1.3219% (0.61   0.02   0.02) =   0.005%
          HN    PHE   59 - QG2   VAL   18   9.39 +/- 0.70   0.833% *  0.4809% (0.22   0.02   0.02) =   0.005%
          HN    LYS+  66 - QG1   VAL   41  14.10 +/- 0.53   0.095% *  1.6181% (0.75   0.02   0.02) =   0.002%
          QE    PHE   59 - QG1   VAL   41  13.54 +/- 2.25   0.146% *  0.9346% (0.43   0.02   0.02) =   0.002%
          HN    LYS+  81 - QG2   VAL   18  14.77 +/- 0.75   0.082% *  0.9685% (0.45   0.02   0.02) =   0.001%
          QE    PHE   59 - QD2   LEU  104  12.03 +/- 1.87   0.256% *  0.1879% (0.09   0.02   0.02) =   0.001%
          HN    LYS+  81 - QG1   VAL   41  16.70 +/- 0.73   0.038% *  0.7401% (0.34   0.02   0.02) =   0.000%
          QD    PHE   60 - QD2   LEU  104  13.65 +/- 0.83   0.105% *  0.2658% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD2   LEU  104  14.47 +/- 1.23   0.084% *  0.3254% (0.15   0.02   0.02) =   0.000%
          HN    PHE   59 - QG1   VAL   41  17.64 +/- 0.98   0.024% *  0.3675% (0.17   0.02   0.02) =   0.000%
          HN    PHE   59 - QD2   LEU  104  17.19 +/- 0.87   0.025% *  0.0739% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU  104  21.75 +/- 0.94   0.007% *  0.1488% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 11 structures by 1.12 A, kept.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 5.28, residual support = 76.6:
          HN    VAL   18 - QG2   VAL   18   2.78 +/- 0.57  99.284% * 98.1499% (0.61   5.28  76.63) =  99.999%  kept
          HN    GLN   30 - QG1   VAL   41   7.32 +/- 0.84   0.519% *  0.1168% (0.19   0.02   0.02) =   0.001%
          HN    GLU-  29 - QG1   VAL   41   9.17 +/- 0.76   0.124% *  0.3400% (0.55   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG2   VAL   18  13.85 +/- 0.52   0.011% *  0.4449% (0.73   0.02   0.02) =   0.000%
          HN    VAL   18 - QG1   VAL   41  13.11 +/- 0.94   0.013% *  0.2840% (0.46   0.02   0.02) =   0.000%
          HN    GLN   30 - QG2   VAL   18  12.18 +/- 0.54   0.023% *  0.1528% (0.25   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG1   VAL   41  13.89 +/- 0.80   0.010% *  0.1445% (0.24   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG2   VAL   18  16.14 +/- 0.83   0.004% *  0.1891% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  29 - QD2   LEU  104  17.42 +/- 0.90   0.002% *  0.0684% (0.11   0.02   0.02) =   0.000%
          HN    VAL   18 - QD2   LEU  104  17.73 +/- 1.00   0.002% *  0.0571% (0.09   0.02   0.02) =   0.000%
          HN    GLN   30 - QD2   LEU  104  15.78 +/- 0.88   0.004% *  0.0235% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  17.12 +/- 1.18   0.003% *  0.0291% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.52, residual support = 74.9:
          HN    VAL   41 - QG1   VAL   41   2.50 +/- 0.51  99.123% * 98.4860% (0.14   4.52  74.88) = 100.000%  kept
          HN    VAL   41 - QD2   LEU  104   6.73 +/- 0.53   0.647% *  0.0234% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QD2   LEU  104   7.79 +/- 0.29   0.201% *  0.0342% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG1   VAL   41  12.16 +/- 0.76   0.010% *  0.6369% (0.20   0.02   0.02) =   0.000%
          HN    VAL   41 - QG2   VAL   18  11.99 +/- 0.68   0.014% *  0.3328% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG2   VAL   18  14.27 +/- 1.08   0.006% *  0.4867% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2325 (6.61, 0.60, 22.78 ppm):
    4 chemical-shift based assignments, quality = 0.357, support = 5.34, residual support = 87.1:
          HN    VAL   83 - QG1   VAL   83   2.34 +/- 0.32  99.963% * 98.5346% (0.36   5.34  87.15) = 100.000%  kept
          HE22  GLN   30 - QG1   VAL   83  10.29 +/- 1.39   0.033% *  0.1778% (0.17   0.02   0.02) =   0.000%
          HN    CYS   50 - QG1   VAL   83  15.14 +/- 0.77   0.002% *  0.7791% (0.75   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   83  14.67 +/- 0.38   0.002% *  0.5085% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.456, support = 0.566, residual support = 0.903:
        T QG2   VAL   24 - QG1   VAL   83   2.04 +/- 0.46  67.970% * 68.2363% (0.46 10.00   0.42   0.90) =  85.878%  kept
          QG1   VAL   24 - QG1   VAL   83   2.47 +/- 0.65  32.029% * 23.8117% (0.46  1.00   1.46   0.90) =  14.122%  kept
        T QG1   VAL  107 - QG1   VAL   83  14.22 +/- 0.79   0.001% *  5.3727% (0.75 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QG1   VAL   83  17.89 +/- 1.52   0.000% *  2.3246% (0.33 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG1   VAL   83  23.48 +/- 1.42   0.000% *  0.2546% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    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 = 0.463, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  16.20 +/- 0.30  14.511% * 27.9530% (0.14 10.00   0.02   0.02) =  38.639%  kept
          HB3   PHE   97 - HA    ILE   19  16.69 +/- 1.07  12.713% * 19.0666% (0.92  1.00   0.02   0.02) =  23.091%  kept
          QG    GLU-  79 - HA    ILE   19  12.75 +/- 0.69  60.783% *  3.1869% (0.15  1.00   0.02   0.02) =  18.452%  kept
          HB2   PRO   58 - HA    ILE   19  18.36 +/- 0.95   7.130% * 19.0666% (0.92  1.00   0.02   0.02) =  12.950%  kept
          HB2   GLU- 100 - HA    ILE   19  20.69 +/- 1.15   3.538% * 14.1878% (0.69  1.00   0.02   0.02) =   4.782%  kept
          HB2   GLN  116 - HA    ILE   19  24.29 +/- 1.14   1.324% * 16.5389% (0.80  1.00   0.02   0.02) =   2.086%  kept
    Distance limit 3.69 A violated in 20 structures by 8.02 A, eliminated.
    Peak unassigned.
 
    Peak 2330 (8.72, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.05, residual support = 25.5:
      O   HN    ALA   20 - HA    ILE   19   2.22 +/- 0.05  99.997% * 99.9363% (0.73  10.0   5.05  25.52) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  12.86 +/- 0.51   0.003% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  21.55 +/- 1.42   0.000% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.57 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 = 6.65, residual support = 172.3:
      O   HN    ILE   19 - HA    ILE   19   2.92 +/- 0.02  99.384% * 99.8764% (0.98  10.0   6.65 172.34) = 100.000%  kept
          HN    LEU   73 - HA    ILE   19   6.96 +/- 0.27   0.560% *  0.0618% (0.61   1.0   0.02   4.16) =   0.000%
          HN    VAL   42 - HA    ILE   19  10.33 +/- 0.72   0.056% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 4.16:
          HA    LEU   73 - HB    ILE   19   2.87 +/- 0.34 100.000% *100.0000% (0.95   2.00   4.16) = 100.000%  kept
    Distance limit 3.74 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 = 5.86, residual support = 172.3:
      O   HN    ILE   19 - HB    ILE   19   2.40 +/- 0.21  98.154% * 99.6598% (0.65  10.0   5.86 172.34) =  99.997%  kept
          HN    LEU   73 - HB    ILE   19   4.97 +/- 0.36   1.689% *  0.1487% (0.97   1.0   0.02   4.16) =   0.003%
          HN    VAL   42 - HB    ILE   19   7.57 +/- 0.73   0.157% *  0.1487% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    ILE   19  18.63 +/- 0.70   0.001% *  0.0428% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2334 (1.27, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 4.89, residual support = 172.3:
      O   HG13  ILE   19 - QG2   ILE   19   2.94 +/- 0.26  98.279% * 98.1968% (0.28  10.0   4.89 172.34) =  99.996%  kept
          QB    ALA   34 - QG2   ILE   19   7.30 +/- 0.50   0.483% *  0.3501% (0.99   1.0   0.02   0.02) =   0.002%
          QG2   THR   39 - QG2   ILE   19   7.63 +/- 0.89   0.496% *  0.2142% (0.61   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - QG2   ILE   19   7.77 +/- 0.30   0.337% *  0.2699% (0.76   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QG2   ILE   19   7.75 +/- 0.54   0.370% *  0.0478% (0.14   1.0   0.02   8.69) =   0.000%
          QG2   ILE   56 - QG2   ILE   19  13.18 +/- 1.36   0.016% *  0.3462% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   ILE   19  14.73 +/- 0.89   0.007% *  0.3064% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - QG2   ILE   19  15.92 +/- 0.69   0.004% *  0.2142% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QG2   ILE   19  14.76 +/- 1.11   0.008% *  0.0545% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2335 (1.43, 0.69, 16.64 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 5.44, residual support = 172.3:
      O   HG12  ILE   19 - QG2   ILE   19   2.87 +/- 0.31  86.805% * 99.0974% (0.95  10.0  1.00   5.44 172.34) =  99.992%  kept
          HG    LEU   73 - QG2   ILE   19   4.46 +/- 0.71  11.378% *  0.0551% (0.53   1.0  1.00   0.02   4.16) =   0.007%
          HB3   LYS+  74 - QG2   ILE   19   5.91 +/- 0.53   1.579% *  0.0393% (0.38   1.0  1.00   0.02   8.69) =   0.001%
          HG    LEU   80 - QG2   ILE   19   9.89 +/- 0.69   0.063% *  0.1038% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LEU   98 - QG2   ILE   19  11.16 +/- 0.81   0.036% *  0.1835% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   ILE   19  10.33 +/- 0.73   0.052% *  0.1027% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QG2   ILE   19  11.18 +/- 0.98   0.035% *  0.0940% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   ILE   19  10.86 +/- 0.64   0.036% *  0.0593% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   ILE   19  13.71 +/- 0.85   0.009% *  0.0761% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   ILE   19  16.09 +/- 1.14   0.003% *  0.1027% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   ILE   19  17.82 +/- 1.45   0.002% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   ILE   19  18.07 +/- 1.87   0.002% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2336 (2.01, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.89, residual support = 172.3:
      O   HB    ILE   19 - QG2   ILE   19   2.12 +/- 0.01  98.056% * 99.2447% (0.80  10.0   4.89 172.34) =  99.999%  kept
          HG3   GLN   30 - QG2   ILE   19   4.19 +/- 0.26   1.791% *  0.0276% (0.22   1.0   0.02   9.84) =   0.001%
          HB2   GLN   17 - QG2   ILE   19   7.05 +/- 0.32   0.076% *  0.1144% (0.92   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE   19   7.39 +/- 0.58   0.063% *  0.1144% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE   19  10.11 +/- 0.30   0.009% *  0.1237% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   ILE   19  12.83 +/- 1.66   0.003% *  0.0702% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   ILE   19  13.60 +/- 0.96   0.002% *  0.0900% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG2   ILE   19  18.21 +/- 1.27   0.000% *  0.1075% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  21.54 +/- 0.94   0.000% *  0.1075% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2337 (2.75, 0.69, 16.64 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 1.5, residual support = 9.84:
          HG2   GLN   30 - QG2   ILE   19   3.63 +/- 0.34  99.735% * 95.1903% (0.65   1.50   9.84) =  99.998%  kept
          HB3   ASN   28 - QG2   ILE   19  10.36 +/- 0.38   0.197% *  0.8066% (0.41   0.02   0.02) =   0.002%
          QE    LYS+ 121 - QG2   ILE   19  16.59 +/- 2.04   0.017% *  1.9576% (1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - QG2   ILE   19  15.83 +/- 1.20   0.018% *  1.7019% (0.87   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QG2   ILE   19  14.04 +/- 0.80   0.032% *  0.3436% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2338 (4.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.75, residual support = 172.3:
      O   HA    ILE   19 - QG2   ILE   19   2.57 +/- 0.22  99.964% * 99.7522% (0.92  10.0   5.75 172.34) = 100.000%  kept
          HA    GLU-  25 - QG2   ILE   19  10.13 +/- 0.33   0.032% *  0.1081% (1.00   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   ILE   19  16.37 +/- 0.73   0.002% *  0.0742% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - QG2   ILE   19  16.45 +/- 0.74   0.002% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2339 (8.73, 0.69, 16.64 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.69, residual support = 25.5:
          HN    ALA   20 - QG2   ILE   19   2.71 +/- 0.31  99.969% * 97.9126% (0.31   3.69  25.52) = 100.000%  kept
          HN    PHE   45 - QG2   ILE   19  10.86 +/- 0.59   0.030% *  1.2497% (0.73   0.02   0.02) =   0.000%
          HN    ALA  110 - QG2   ILE   19  18.55 +/- 1.24   0.001% *  0.8377% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2340 (8.94, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.75, residual support = 172.3:
          HN    ILE   19 - QG2   ILE   19   3.59 +/- 0.18  92.139% * 98.8264% (0.65   5.75 172.34) =  99.956%  kept
          HN    LEU   73 - QG2   ILE   19   5.64 +/- 0.45   6.462% *  0.5129% (0.97   0.02   4.16) =   0.036%
          HN    VAL   42 - QG2   ILE   19   7.44 +/- 0.63   1.391% *  0.5129% (0.97   0.02   0.02) =   0.008%
          HN    LYS+ 106 - QG2   ILE   19  16.99 +/- 0.56   0.008% *  0.1478% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2341 (0.93, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.317, support = 0.0199, residual support = 0.737:
          QD1   LEU   40 - HG    LEU   71   5.74 +/- 1.45  76.109% *  3.3680% (0.06   0.02   1.84) =  39.426%  kept
          QD2   LEU   67 - HG13  ILE   19  10.73 +/- 2.08   4.836% * 39.2581% (0.69   0.02   0.02) =  29.201%  kept
          QD1   LEU   40 - HG13  ILE   19   9.74 +/- 1.05   5.402% * 23.4959% (0.41   0.02   0.02) =  19.522%  kept
          QD2   LEU   67 - HG    LEU   71   9.06 +/- 2.43  11.561% *  5.6275% (0.10   0.02   0.02) =  10.006%  kept
          QG2   ILE  119 - HG13  ILE   19  14.81 +/- 1.49   0.462% * 15.8904% (0.28   0.02   0.02) =   1.129%  kept
          QD1   ILE  103 - HG13  ILE   19  15.84 +/- 1.21   0.283% *  8.8183% (0.15   0.02   0.02) =   0.384%
          QD1   ILE  103 - HG    LEU   71  13.00 +/- 0.79   0.899% *  1.2641% (0.02   0.02   0.02) =   0.175%
          QG2   ILE  119 - HG    LEU   71  13.80 +/- 3.29   0.448% *  2.2778% (0.04   0.02   0.02) =   0.157%
    Distance limit 2.94 A violated in 17 structures by 2.59 A, eliminated.
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 5.86, residual support = 172.3:
          HN    ILE   19 - HG13  ILE   19   3.35 +/- 0.53  90.040% * 98.6380% (0.65   5.86 172.34) =  99.979%  kept
          HN    LEU   73 - HG13  ILE   19   6.57 +/- 0.69   2.003% *  0.5022% (0.97   0.02   4.16) =   0.011%
          HN    VAL   42 - HG    LEU   71   5.52 +/- 0.39   5.867% *  0.0720% (0.14   0.02   5.24) =   0.005%
          HN    VAL   42 - HG13  ILE   19   8.74 +/- 1.31   0.609% *  0.5022% (0.97   0.02   0.02) =   0.003%
          HN    LEU   73 - HG    LEU   71   7.66 +/- 0.58   0.808% *  0.0720% (0.14   0.02   0.02) =   0.001%
          HN    ILE   19 - HG    LEU   71   8.30 +/- 0.99   0.663% *  0.0483% (0.09   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG13  ILE   19  19.86 +/- 1.14   0.003% *  0.1447% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   71  17.01 +/- 1.94   0.009% *  0.0207% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2343 (6.66, 0.69, 16.64 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 2.13, residual support = 9.84:
          HE22  GLN   30 - QG2   ILE   19   3.52 +/- 0.60  99.554% * 97.3475% (0.41   2.13   9.84) =  99.997%  kept
          QE    PHE   45 - QG2   ILE   19   9.55 +/- 0.77   0.374% *  0.4390% (0.20   0.02   0.02) =   0.002%
          HD22  ASN   69 - QG2   ILE   19  13.00 +/- 1.23   0.073% *  2.2135% (1.00   0.02   0.02) =   0.002%
    Distance limit 3.92 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2344 (7.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 1.5, residual support = 9.84:
          HE21  GLN   30 - QG2   ILE   19   2.80 +/- 0.63  99.784% * 96.5700% (1.00   1.50   9.84) =  99.997%  kept
          HD1   TRP   27 - QG2   ILE   19   8.87 +/- 0.77   0.199% *  1.1194% (0.87   0.02   0.02) =   0.002%
          QD    PHE   59 - QG2   ILE   19  13.84 +/- 1.07   0.016% *  1.1194% (0.87   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   ILE   19  21.05 +/- 2.08   0.001% *  1.1912% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 1.28, residual support = 9.84:
          HE22  GLN   30 - QD1   ILE   19   4.99 +/- 1.00  99.671% * 89.9506% (0.25   1.28   9.84) =  99.989%  kept
          HN    CYS   50 - QD1   ILE   19  18.11 +/- 1.19   0.090% *  4.4987% (0.80   0.02   0.02) =   0.004%
          HN    VAL   83 - QD1   ILE   19  15.80 +/- 0.85   0.172% *  1.9164% (0.34   0.02   0.02) =   0.004%
          HN    TRP   49 - QD1   ILE   19  18.68 +/- 0.93   0.068% *  3.6344% (0.65   0.02   0.02) =   0.003%
    Distance limit 4.05 A violated in 10 structures by 1.04 A, kept.
 
    Peak 2346 (8.98, 0.74, 12.33 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QD1   ILE   19  17.69 +/- 0.97 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 3.85 A violated in 20 structures by 13.84 A, eliminated.
    Peak unassigned.
 
    Peak 2347 (4.18, 1.14, 19.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.85, residual support = 25.5:
          HA    ILE   19 - QB    ALA   20   3.87 +/- 0.04  99.712% * 98.7253% (0.92   3.85  25.52) =  99.998%  kept
          HA    GLU-  25 - QB    ALA   20  10.67 +/- 0.13   0.228% *  0.5558% (1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QB    ALA   20  14.80 +/- 0.91   0.034% *  0.3818% (0.69   0.02   0.02) =   0.000%
          HA    SER   82 - QB    ALA   20  15.39 +/- 0.48   0.026% *  0.3371% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.84, support = 0.0199, residual support = 6.59:
          QE    LYS+  74 - QB    ALA   20   6.54 +/- 0.49  71.960% * 25.4326% (0.90   0.02   8.12) =  81.125%  kept
          HB2   PHE   72 - QB    ALA   20   8.25 +/- 0.47  19.694% * 16.0552% (0.57   0.02   0.02) =  14.016%  kept
          QB    CYS   50 - QB    ALA   20  11.57 +/- 1.41   2.888% * 26.1780% (0.92   0.02   0.02) =   3.351%  kept
          HB3   ASP-  78 - QB    ALA   20  10.43 +/- 0.75   5.150% *  4.9664% (0.18   0.02   0.02) =   1.134%  kept
          HB3   ASN   69 - QB    ALA   20  16.40 +/- 0.65   0.308% * 27.3678% (0.97   0.02   0.02) =   0.374%
    Distance limit 3.53 A violated in 20 structures by 2.65 A, eliminated.
    Peak unassigned.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.82, support = 1.86, residual support = 3.54:
          HD2   HIS   22 - QB    ALA   20   4.84 +/- 0.09  52.307% * 70.1498% (0.92   2.02   4.66) =  73.910%  kept
          HN    THR   23 - QB    ALA   20   4.93 +/- 0.15  46.996% * 27.5549% (0.53   1.39   0.38) =  26.084%  kept
          QE    PHE   95 - QB    ALA   20  10.76 +/- 0.64   0.469% *  0.3657% (0.49   0.02   0.02) =   0.003%
          HD1   TRP   49 - QB    ALA   20  14.64 +/- 1.48   0.089% *  0.7447% (0.99   0.02   0.02) =   0.001%
          HN    LEU   67 - QB    ALA   20  14.19 +/- 0.80   0.088% *  0.6738% (0.90   0.02   0.02) =   0.001%
          HD21  ASN   35 - QB    ALA   20  17.31 +/- 0.76   0.026% *  0.3953% (0.53   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   20  17.56 +/- 1.10   0.026% *  0.1159% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2350 (7.93, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.63, residual support = 13.9:
          HN    CYS   21 - QB    ALA   20   3.60 +/- 0.01  99.907% * 99.0661% (0.95   3.63  13.94) = 100.000%  kept
          HN    LYS+  33 - QB    ALA   20  12.44 +/- 0.30   0.059% *  0.3504% (0.61   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    ALA   20  15.60 +/- 0.58   0.015% *  0.1783% (0.31   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    ALA   20  19.09 +/- 0.57   0.005% *  0.3040% (0.53   0.02   0.02) =   0.000%
          HN    SER   37 - QB    ALA   20  15.92 +/- 0.51   0.014% *  0.1012% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.78 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   2.15 +/- 0.06  99.993% * 99.6086% (0.31  10.0   3.74  15.24) = 100.000%  kept
          HN    PHE   45 - QB    ALA   20  10.84 +/- 0.49   0.006% *  0.2343% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   20  18.14 +/- 1.09   0.000% *  0.1571% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 0.489, support = 0.0198, residual support = 0.0198:
          QB    LYS+  33 - HB2   CYS   21   9.39 +/- 0.63  52.796% *  4.7734% (0.34   0.02   0.02) =  41.883%  kept
          HB    VAL   41 - HB2   CYS   21  10.66 +/- 1.12  27.301% *  9.0526% (0.65   0.02   0.02) =  41.074%  kept
          HG12  ILE  103 - HB2   CYS   21  15.49 +/- 0.90   2.646% * 11.2053% (0.80   0.02   0.02) =   4.928%  kept
          QB    LYS+  81 - HB2   CYS   21  12.99 +/- 0.77   7.928% *  3.1155% (0.22   0.02   0.02) =   4.105%  kept
          QB    LYS+ 106 - HB2   CYS   21  15.12 +/- 0.71   2.978% *  2.7693% (0.20   0.02   0.02) =   1.371%  kept
          HB    ILE  103 - HB2   CYS   21  18.00 +/- 0.81   1.053% *  7.3624% (0.53   0.02   0.02) =   1.288%  kept
          QB    LYS+  66 - HB2   CYS   21  18.09 +/- 1.16   1.044% *  6.2738% (0.45   0.02   0.02) =   1.089%  kept
          HB3   ASP- 105 - HB2   CYS   21  18.88 +/- 1.24   0.848% *  6.2738% (0.45   0.02   0.02) =   0.884%  kept
          HB3   GLN   90 - HB2   CYS   21  18.08 +/- 1.97   1.286% *  3.8908% (0.28   0.02   0.02) =   0.832%  kept
          HG3   PRO   68 - HB2   CYS   21  20.05 +/- 1.45   0.568% *  7.9226% (0.57   0.02   0.02) =   0.748%  kept
          HB3   PRO   52 - HB2   CYS   21  22.18 +/- 1.08   0.314% * 13.7167% (0.98   0.02   0.02) =   0.716%  kept
          HG2   PRO   93 - HB2   CYS   21  19.02 +/- 0.84   0.761% *  3.1155% (0.22   0.02   0.02) =   0.394%
          HG2   ARG+  54 - HB2   CYS   21  21.94 +/- 1.99   0.347% *  6.8115% (0.49   0.02   0.02) =   0.393%
          HG    LEU  123 - HB2   CYS   21  25.65 +/- 1.67   0.130% * 13.7167% (0.98   0.02   0.02) =   0.296%
    Distance limit 3.62 A violated in 20 structures by 4.76 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.776, support = 1.43, residual support = 8.38:
          QD1   LEU   73 - HB2   CYS   21   3.59 +/- 0.96  61.272% * 84.6128% (0.80   1.50   8.95) =  93.629%  kept
          QD2   LEU   80 - HB2   CYS   21   4.54 +/- 0.91  32.293% * 10.8569% (0.41   0.37   0.02) =   6.332%  kept
          QD1   LEU   80 - HB2   CYS   21   5.87 +/- 0.98   5.670% *  0.3137% (0.22   0.02   0.02) =   0.032%
          QG2   VAL   41 - HB2   CYS   21   8.69 +/- 1.39   0.527% *  0.5288% (0.38   0.02   0.02) =   0.005%
          QD2   LEU   98 - HB2   CYS   21   9.92 +/- 1.06   0.177% *  0.3137% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   CYS   21  13.41 +/- 1.44   0.025% *  1.1282% (0.80   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB2   CYS   21  14.03 +/- 1.41   0.019% *  1.3006% (0.92   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   CYS   21  15.64 +/- 1.15   0.011% *  0.3137% (0.22   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   CYS   21  18.74 +/- 2.02   0.004% *  0.6317% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.6, residual support = 27.9:
      O T HA    CYS   21 - HB2   CYS   21   2.60 +/- 0.21  99.997% * 99.6850% (0.92  10.0 10.00   2.60  27.95) = 100.000%  kept
          HA    LYS+ 102 - HB2   CYS   21  18.18 +/- 1.12   0.001% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB2   CYS   21  18.22 +/- 1.85   0.001% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB2   CYS   21  20.12 +/- 0.89   0.001% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  21.92 +/- 1.02   0.000% *  0.0655% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2355 (7.35, 3.08, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.695, support = 2.52, residual support = 4.93:
          HN    THR   23 - HB2   CYS   21   4.49 +/- 0.43  83.275% * 20.5456% (0.53   1.69   4.69) =  57.369%  kept
          HD2   HIS   22 - HB2   CYS   21   6.04 +/- 0.33  16.291% * 78.0398% (0.92   3.65   5.25) =  42.628%  kept
          QE    PHE   95 - HB2   CYS   21  12.22 +/- 1.02   0.296% *  0.2254% (0.49   0.02   0.02) =   0.002%
          HD21  ASN   35 - HB2   CYS   21  14.87 +/- 1.12   0.078% *  0.2436% (0.53   0.02   0.02) =   0.001%
          HN    LEU   67 - HB2   CYS   21  17.49 +/- 1.28   0.034% *  0.4153% (0.90   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   CYS   21  18.75 +/- 1.17   0.018% *  0.4590% (0.99   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   CYS   21  21.84 +/- 1.23   0.007% *  0.0714% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 3 structures by 0.34 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.35, residual support = 27.9:
      O   HN    CYS   21 - HB2   CYS   21   3.08 +/- 0.54  99.836% * 99.8294% (0.95  10.0   3.35  27.95) = 100.000%  kept
          HN    LYS+  33 - HB2   CYS   21  10.03 +/- 0.59   0.140% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   CYS   21  14.71 +/- 0.66   0.012% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  14.96 +/- 0.49   0.011% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   CYS   21  21.78 +/- 1.20   0.001% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.342, support = 0.0199, residual support = 0.0199:
          HB    VAL   41 - HB3   CYS   21  10.89 +/- 1.11  27.684% *  9.0526% (0.44   0.02   0.02) =  41.723%  kept
          QB    LYS+  33 - HB3   CYS   21   9.85 +/- 0.60  45.927% *  4.7734% (0.23   0.02   0.02) =  36.498%  kept
          QB    LYS+  81 - HB3   CYS   21  12.48 +/- 0.57  11.538% *  3.1155% (0.15   0.02   0.02) =   5.985%  kept
          HG12  ILE  103 - HB3   CYS   21  15.50 +/- 0.84   3.093% * 11.2053% (0.55   0.02   0.02) =   5.769%  kept
          QB    LYS+ 106 - HB3   CYS   21  14.96 +/- 0.59   3.812% *  2.7693% (0.14   0.02   0.02) =   1.757%  kept
          HB    ILE  103 - HB3   CYS   21  18.01 +/- 0.76   1.238% *  7.3624% (0.36   0.02   0.02) =   1.517%  kept
          QB    LYS+  66 - HB3   CYS   21  18.10 +/- 0.75   1.240% *  6.2738% (0.31   0.02   0.02) =   1.295%  kept
          HB3   GLN   90 - HB3   CYS   21  17.49 +/- 1.58   1.679% *  3.8908% (0.19   0.02   0.02) =   1.087%  kept
          HB3   ASP- 105 - HB3   CYS   21  18.84 +/- 0.99   1.020% *  6.2738% (0.31   0.02   0.02) =   1.066%  kept
          HB3   PRO   52 - HB3   CYS   21  21.65 +/- 1.05   0.440% * 13.7167% (0.67   0.02   0.02) =   1.006%  kept
          HG3   PRO   68 - HB3   CYS   21  20.26 +/- 0.98   0.611% *  7.9226% (0.39   0.02   0.02) =   0.805%  kept
          HG2   ARG+  54 - HB3   CYS   21  21.45 +/- 1.87   0.508% *  6.8115% (0.33   0.02   0.02) =   0.576%  kept
          HG2   PRO   93 - HB3   CYS   21  18.62 +/- 0.64   1.049% *  3.1155% (0.15   0.02   0.02) =   0.544%  kept
          HG    LEU  123 - HB3   CYS   21  25.62 +/- 1.55   0.163% * 13.7167% (0.67   0.02   0.02) =   0.372%
    Distance limit 3.71 A violated in 20 structures by 4.89 A, eliminated.
    Peak unassigned.
 
    Peak 2359 (1.49, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.597, support = 1.99, residual support = 2.79:
          QG2   THR   26 - HB3   CYS   21   3.37 +/- 0.54  97.466% * 72.0957% (0.60   2.00   2.73) =  99.106%  kept
          HB2   LYS+  74 - HB3   CYS   21   7.13 +/- 0.85   2.503% * 25.3142% (0.69   0.61   9.08) =   0.894%  kept
          HB3   LEU   40 - HB3   CYS   21  15.19 +/- 0.74   0.015% *  0.4706% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   CYS   21  18.02 +/- 1.96   0.007% *  0.6655% (0.55   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   CYS   21  22.14 +/- 1.87   0.002% *  0.6035% (0.50   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   CYS   21  20.05 +/- 0.79   0.003% *  0.2835% (0.23   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   CYS   21  22.44 +/- 1.83   0.002% *  0.2835% (0.23   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   CYS   21  21.74 +/- 0.78   0.002% *  0.2835% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2360 (0.57, 2.60, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.546, support = 1.48, residual support = 8.84:
          QD1   LEU   73 - HB3   CYS   21   3.84 +/- 0.57  50.624% * 90.4311% (0.55   1.50   8.95) =  98.820%  kept
          QD1   LEU   80 - HB3   CYS   21   5.41 +/- 0.75   6.315% *  4.4433% (0.15   0.27   0.02) =   0.606%  kept
          QD2   LEU   80 - HB3   CYS   21   4.03 +/- 0.71  42.391% *  0.6191% (0.28   0.02   0.02) =   0.566%  kept
          QG2   VAL   41 - HB3   CYS   21   8.88 +/- 1.40   0.453% *  0.5651% (0.26   0.02   0.02) =   0.006%
          QD2   LEU   98 - HB3   CYS   21   9.94 +/- 1.03   0.160% *  0.3352% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB3   CYS   21  13.28 +/- 0.90   0.024% *  1.2057% (0.55   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB3   CYS   21  13.98 +/- 0.95   0.018% *  1.3900% (0.63   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   CYS   21  15.77 +/- 1.28   0.009% *  0.3352% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   CYS   21  18.54 +/- 1.78   0.004% *  0.6751% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 3.3, residual support = 27.9:
      O   HN    CYS   21 - HB3   CYS   21   2.85 +/- 0.59  99.891% * 99.8294% (0.65  10.0   3.30  27.95) = 100.000%  kept
          HN    LYS+  33 - HB3   CYS   21  10.55 +/- 0.56   0.090% *  0.0640% (0.42   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   CYS   21  14.28 +/- 0.57   0.010% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  15.48 +/- 0.53   0.008% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   CYS   21  21.64 +/- 0.85   0.001% *  0.0555% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.747, residual support = 1.49:
          HN    TRP   27 - HB3   CYS   21   3.18 +/- 0.64  99.816% * 88.5274% (0.52   0.75   1.49) =  99.996%  kept
          HD1   TRP   87 - HB3   CYS   21  11.01 +/- 0.66   0.102% *  2.8638% (0.63   0.02   0.02) =   0.003%
          HN    THR   39 - HB3   CYS   21  15.21 +/- 0.59   0.012% *  2.9346% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   CYS   21  14.81 +/- 0.52   0.014% *  1.7564% (0.39   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   CYS   21  13.50 +/- 1.03   0.032% *  0.4199% (0.09   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   CYS   21  16.40 +/- 1.14   0.011% *  1.0582% (0.23   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   CYS   21  16.92 +/- 0.72   0.007% *  1.2754% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   CYS   21  18.25 +/- 2.08   0.006% *  1.1643% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.424, support = 2.54, residual support = 4.82:
          HN    THR   23 - HB3   CYS   21   4.06 +/- 0.27  91.861% * 22.3061% (0.36   2.09   4.69) =  77.205%  kept
          HD2   HIS   22 - HB3   CYS   21   6.29 +/- 0.48   7.913% * 76.4541% (0.63   4.08   5.25) =  22.793%  kept
          QE    PHE   95 - HB3   CYS   21  12.04 +/- 0.68   0.153% *  0.1975% (0.33   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB3   CYS   21  15.29 +/- 1.01   0.038% *  0.2135% (0.36   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   CYS   21  18.17 +/- 1.72   0.015% *  0.4022% (0.68   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   CYS   21  17.56 +/- 0.80   0.015% *  0.3640% (0.62   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   CYS   21  21.46 +/- 1.11   0.005% *  0.0626% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.42, residual support = 27.9:
      O T HA    CYS   21 - HB3   CYS   21   2.84 +/- 0.22  99.994% * 99.6850% (0.63  10.0 10.00   2.42  27.95) = 100.000%  kept
          HA    LYS+ 102 - HB3   CYS   21  18.32 +/- 1.14   0.002% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB3   CYS   21  17.67 +/- 1.58   0.002% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB3   CYS   21  19.51 +/- 1.05   0.001% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  21.50 +/- 1.02   0.001% *  0.0655% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2365 (7.35, 3.50, 29.58 ppm):
    7 chemical-shift based assignments, quality = 0.731, support = 2.5, residual support = 34.1:
      O   HD2   HIS   22 - HB2   HIS   22   3.23 +/- 0.53  84.950% * 86.9646% (0.74  10.0   2.43  34.41) =  97.471%  kept
          HN    THR   23 - HB2   HIS   22   4.50 +/- 0.03  15.039% * 12.7476% (0.42   1.0   5.14  21.13) =   2.529%  kept
          QE    PHE   95 - HB2   HIS   22  17.16 +/- 0.68   0.005% *  0.0459% (0.39   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   HIS   22  18.32 +/- 1.09   0.003% *  0.0496% (0.42   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   HIS   22  21.19 +/- 1.51   0.001% *  0.0934% (0.79   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   HIS   22  22.38 +/- 0.84   0.001% *  0.0845% (0.72   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  25.73 +/- 1.18   0.000% *  0.0145% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 0.934, support = 3.09, residual support = 34.2:
      O   HD2   HIS   22 - HB3   HIS   22   3.56 +/- 0.50  76.550% * 94.7265% (0.95  10.0   3.04  34.41) =  98.399%  kept
          HN    THR   23 - HB3   HIS   22   4.45 +/- 0.03  23.435% *  5.0333% (0.18   1.0   5.74  21.13) =   1.601%  kept
          HD21  ASN   35 - HB3   HIS   22  18.82 +/- 1.19   0.004% *  0.0924% (0.92   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   HIS   22  21.03 +/- 1.69   0.003% *  0.0836% (0.84   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  17.28 +/- 0.69   0.007% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   HIS   22  22.67 +/- 0.98   0.001% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 3.3, residual support = 21.1:
          QG2   THR   23 - HB3   HIS   22   3.60 +/- 0.47  99.935% * 95.9574% (0.34   3.30  21.13) =  99.999%  kept
          QG2   THR   77 - HB3   HIS   22  13.05 +/- 0.77   0.056% *  1.6902% (0.99   0.02   0.02) =   0.001%
          QB    ALA   88 - HB3   HIS   22  19.17 +/- 0.46   0.006% *  1.2383% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   HIS   22  22.85 +/- 0.87   0.002% *  0.6400% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   HIS   22  24.17 +/- 1.31   0.001% *  0.4741% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.11 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   3.72 +/- 0.45  97.480% * 98.4521% (0.38   3.21  12.69) =  99.959%  kept
          QD    PHE   95 - HB    THR   46   7.42 +/- 0.93   2.520% *  1.5479% (0.95   0.02   0.02) =   0.041%
    Distance limit 4.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2369 (8.47, 3.44, 70.99 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.25, residual support = 34.5:
      O   HN    THR   46 - HB    THR   46   3.06 +/- 0.30  99.514% * 99.6646% (0.87  10.0   3.25  34.52) = 100.000%  kept
          HN    LYS+  74 - HB    THR   46   8.15 +/- 1.11   0.332% *  0.1126% (0.98   1.0   0.02   0.12) =   0.000%
          HN    MET   92 - HB    THR   46   9.66 +/- 0.67   0.145% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    THR   46  15.85 +/- 1.48   0.008% *  0.0604% (0.53   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    THR   46  29.96 +/- 2.43   0.000% *  0.0834% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.417, support = 0.02, residual support = 0.02:
          QG2   THR   77 - HB2   HIS   22  13.07 +/- 0.70  19.226% * 12.9434% (0.64  1.00   0.02   0.02) =  36.773%  kept
          HB3   LEU   80 - HB2   HIS   22  10.88 +/- 0.48  56.220% *  4.0306% (0.20  1.00   0.02   0.02) =  33.485%  kept
          HB2   LEU   31 - HB2   HIS   22  13.07 +/- 0.92  20.058% *  6.0667% (0.30  1.00   0.02   0.02) =  17.982%  kept
          QB    ALA   88 - HB2   HIS   22  19.04 +/- 0.46   1.959% * 16.1643% (0.80  1.00   0.02   0.02) =   4.679%  kept
        T HB2   LEU   63 - HB2   HIS   22  21.32 +/- 1.10   1.045% * 28.3087% (0.14 10.00   0.02   0.02) =   4.370%  kept
          HG2   LYS+  38 - HB2   HIS   22  22.32 +/- 1.22   0.794% * 13.5016% (0.67  1.00   0.02   0.02) =   1.583%  kept
          HG2   LYS+  99 - HB2   HIS   22  23.68 +/- 1.45   0.570% * 11.7377% (0.58  1.00   0.02   0.02) =   0.989%  kept
          HG2   LYS+ 111 - HB2   HIS   22  30.17 +/- 1.22   0.129% *  7.2470% (0.36  1.00   0.02   0.02) =   0.138%
    Distance limit 3.87 A violated in 20 structures by 6.00 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 2.86, residual support = 13.9:
      O   HN    CYS   21 - HA    ALA   20   2.24 +/- 0.01  99.997% * 99.8294% (0.95  10.0   2.86  13.94) = 100.000%  kept
          HN    LYS+  33 - HA    ALA   20  13.76 +/- 0.34   0.002% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  16.71 +/- 0.62   0.001% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  20.95 +/- 0.68   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  17.88 +/- 0.50   0.000% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 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   8.37 +/- 0.61 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.14 A violated in 20 structures by 5.23 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.575, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22   6.07 +/- 0.65  98.099% * 18.5628% (0.57   0.02   0.02) =  97.965%  kept
          QG    GLN   32 - HA    HIS   22  14.18 +/- 0.98   0.803% * 27.4474% (0.85   0.02   0.02) =   1.186%  kept
          HB3   PHE   45 - HA    HIS   22  13.38 +/- 0.85   1.019% * 13.7211% (0.42   0.02   0.02) =   0.752%  kept
          HB    VAL  107 - HA    HIS   22  21.59 +/- 0.83   0.056% * 26.5475% (0.82   0.02   0.02) =   0.080%
          QE    LYS+ 112 - HA    HIS   22  25.43 +/- 2.28   0.022% * 13.7211% (0.42   0.02   0.02) =   0.016%
    Distance limit 3.25 A violated in 20 structures by 2.81 A, eliminated.
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.297, support = 0.0198, residual support = 0.0198:
        T HB2   LEU   73 - HA    HIS   22   9.30 +/- 0.98  55.177% * 28.4146% (0.26 10.00   0.02   0.02) =  88.544%  kept
          HB    VAL   83 - HA    HIS   22  11.24 +/- 0.35  17.133% *  8.1833% (0.76  1.00   0.02   0.02) =   7.918%  kept
          HD2   LYS+  74 - HA    HIS   22  10.72 +/- 0.73  24.936% *  1.7898% (0.17  1.00   0.02   0.02) =   2.521%  kept
          QD    LYS+  65 - HA    HIS   22  19.17 +/- 1.73   0.795% *  7.4210% (0.69  1.00   0.02   0.02) =   0.333%
          HG3   PRO   93 - HA    HIS   22  21.21 +/- 0.91   0.381% *  8.5362% (0.79  1.00   0.02   0.02) =   0.184%
          QD    LYS+  38 - HA    HIS   22  22.45 +/- 0.66   0.280% *  9.4340% (0.87  1.00   0.02   0.02) =   0.149%
          QD    LYS+ 102 - HA    HIS   22  23.55 +/- 1.38   0.232% *  9.8627% (0.91  1.00   0.02   0.02) =   0.129%
          HB3   MET   92 - HA    HIS   22  20.86 +/- 1.70   0.465% *  4.2014% (0.39  1.00   0.02   0.02) =   0.110%
          QD    LYS+ 106 - HA    HIS   22  21.22 +/- 1.37   0.406% *  1.5768% (0.15  1.00   0.02   0.02) =   0.036%
          HB2   LYS+ 121 - HA    HIS   22  27.12 +/- 0.98   0.086% *  7.0200% (0.65  1.00   0.02   0.02) =   0.034%
          HB2   LEU  123 - HA    HIS   22  29.97 +/- 1.65   0.055% *  8.1833% (0.76  1.00   0.02   0.02) =   0.025%
          HD2   LYS+ 111 - HA    HIS   22  29.40 +/- 1.30   0.054% *  5.3768% (0.50  1.00   0.02   0.02) =   0.016%
    Distance limit 3.40 A violated in 20 structures by 4.94 A, eliminated.
    Peak unassigned.
 
    Peak 2376 (8.91, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.387, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    HIS   22  10.19 +/- 0.15  98.252% * 67.5049% (0.39   0.02   0.02) =  99.151%  kept
          HN    LEU   40 - HA    HIS   22  20.05 +/- 0.74   1.748% * 32.4951% (0.19   0.02   0.02) =   0.849%  kept
    Distance limit 3.53 A violated in 20 structures by 6.63 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 = 5.33, residual support = 25.8:
      O   HN    VAL   24 - HA    THR   23   2.67 +/- 0.13 100.000% *100.0000% (0.64  10.0   5.33  25.85) = 100.000%  kept
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2379 (9.23, 4.81, 72.92 ppm):
    1 chemical-shift based assignment, quality = 0.487, support = 5.39, residual support = 25.8:
          HN    VAL   24 - HB    THR   23   3.24 +/- 0.69 100.000% *100.0000% (0.49   5.39  25.85) = 100.000%  kept
    Distance limit 3.39 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.727, support = 4.71, residual support = 19.1:
          HN    THR   23 - QG2   THR   23   3.19 +/- 0.62  94.105% * 62.7497% (0.73   4.75  19.05) =  98.454%  kept
          HD2   HIS   22 - QG2   THR   23   6.12 +/- 0.17   2.614% * 35.4211% (0.76   2.55  21.13) =   1.544%  kept
          HE3   TRP   27 - QG2   THR   23   8.30 +/- 0.72   0.612% *  0.0810% (0.22   0.02   1.11) =   0.001%
          HD1   TRP   49 - QB    ALA   91   8.17 +/- 1.64   1.009% *  0.0343% (0.09   0.02   0.02) =   0.001%
          QE    PHE   95 - QB    ALA   91   9.70 +/- 1.82   0.609% *  0.0263% (0.07   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   THR   39  10.03 +/- 0.90   0.179% *  0.0803% (0.22   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   39   9.89 +/- 0.94   0.175% *  0.0276% (0.08   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   39  11.76 +/- 1.42   0.082% *  0.0557% (0.15   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   23  14.06 +/- 0.75   0.017% *  0.2500% (0.69   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   91   9.73 +/- 1.42   0.354% *  0.0106% (0.03   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG2   THR   39  10.03 +/- 1.03   0.148% *  0.0180% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   23  15.87 +/- 1.72   0.008% *  0.3265% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   23  15.78 +/- 1.30   0.014% *  0.1242% (0.34   0.02   0.02) =   0.000%
          HD2   HIS   22 - QG2   THR   39  13.30 +/- 1.29   0.027% *  0.0619% (0.17   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   THR   23  19.92 +/- 0.66   0.002% *  0.3608% (0.99   0.02   0.02) =   0.000%
          HN    THR   23 - QG2   THR   39  15.11 +/- 1.05   0.013% *  0.0588% (0.16   0.02   0.02) =   0.000%
          HN    THR   23 - QB    ALA   91  16.27 +/- 0.60   0.008% *  0.0278% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   23  20.61 +/- 1.17   0.002% *  0.1012% (0.28   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    ALA   91  19.51 +/- 1.80   0.004% *  0.0379% (0.10   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  15.63 +/- 0.78   0.011% *  0.0085% (0.02   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   39  23.60 +/- 1.52   0.001% *  0.0727% (0.20   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  20.70 +/- 0.52   0.002% *  0.0292% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  20.84 +/- 0.67   0.002% *  0.0225% (0.06   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  23.38 +/- 1.19   0.001% *  0.0131% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 1.74, residual support = 10.7:
          HB3   ASP-  86 - HA    VAL   83   2.95 +/- 0.81  99.914% * 91.0565% (0.34   1.74  10.73) =  99.998%  kept
          HG3   MET   96 - HA    VAL   83  12.05 +/- 1.03   0.065% *  3.0734% (1.00   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HA    VAL   83  14.61 +/- 0.75   0.018% *  0.6842% (0.22   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    VAL   83  22.73 +/- 1.60   0.001% *  2.8371% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    VAL   83  24.80 +/- 1.15   0.001% *  2.3488% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2382 (2.93, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 2.25, residual support = 10.7:
        T HB2   ASP-  86 - HA    VAL   83   3.28 +/- 0.49  99.852% * 99.6258% (0.98 10.00   2.25  10.73) = 100.000%  kept
          HB2   ASN   28 - HA    VAL   83  10.70 +/- 0.66   0.107% *  0.0912% (0.90  1.00   0.02   0.23) =   0.000%
          HB2   ASP-  78 - HA    VAL   83  13.07 +/- 0.30   0.031% *  0.0283% (0.28  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    VAL   83  17.83 +/- 1.45   0.005% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  18.48 +/- 1.36   0.004% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    VAL   83  24.27 +/- 1.50   0.001% *  0.0996% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2383 (6.61, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 4.7, residual support = 87.1:
      O   HN    VAL   83 - HA    VAL   83   2.78 +/- 0.02  99.997% * 99.7575% (0.57  10.0   4.70  87.15) = 100.000%  kept
          HN    CYS   50 - HA    VAL   83  17.86 +/- 0.73   0.001% *  0.1700% (0.97   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   83  17.27 +/- 0.49   0.002% *  0.0724% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 10.7:
          HN    ASP-  86 - HA    VAL   83   3.00 +/- 0.13  99.954% * 97.0739% (0.95   2.25  10.73) = 100.000%  kept
          HN    GLN   30 - HA    VAL   83  12.91 +/- 0.95   0.018% *  0.8942% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    VAL   83  12.13 +/- 0.68   0.025% *  0.5165% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    VAL   83  18.19 +/- 1.34   0.002% *  0.4090% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    VAL   83  23.06 +/- 2.71   0.001% *  0.4799% (0.53   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    VAL   83  26.15 +/- 1.78   0.000% *  0.6266% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.715, support = 0.02, residual support = 8.55:
          HD1   TRP   87 - HA    VAL   83   5.32 +/- 0.63  87.304% * 16.2579% (0.73   0.02   8.84) =  92.081%  kept
          HE3   TRP   87 - HA    VAL   83   7.94 +/- 0.72   9.357% *  6.2250% (0.28   0.02   8.84) =   3.779%  kept
          HN    TRP   27 - HA    VAL   83  10.06 +/- 0.61   2.427% * 21.1793% (0.95   0.02   2.34) =   3.334%  kept
          HN    ALA   91 - HA    VAL   83  11.95 +/- 0.76   0.771% * 14.4837% (0.65   0.02   0.02) =   0.724%  kept
          HN    THR   39 - HA    VAL   83  21.26 +/- 1.19   0.027% * 17.1105% (0.76   0.02   0.02) =   0.030%
          HN    GLU-  36 - HA    VAL   83  20.30 +/- 1.20   0.035% *  7.6371% (0.34   0.02   0.02) =   0.017%
          HN    ALA   61 - HA    VAL   83  21.88 +/- 0.86   0.021% * 12.6757% (0.57   0.02   0.02) =   0.017%
          HN    LYS+ 102 - HA    VAL   83  18.62 +/- 1.74   0.059% *  4.4308% (0.20   0.02   0.02) =   0.017%
    Distance limit 3.69 A violated in 17 structures by 1.51 A, eliminated.
    Peak unassigned.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.406, support = 1.95, residual support = 9.4:
          QD2   LEU   80 - HA    VAL   24   2.35 +/- 0.40  93.110% * 66.1492% (0.41   1.96   9.40) =  97.348%  kept
          QD1   LEU   80 - HA    VAL   24   4.07 +/- 0.56   6.033% * 27.6340% (0.22   1.51   9.40) =   2.635%  kept
          QD1   LEU   73 - HA    VAL   24   6.15 +/- 0.64   0.772% *  1.3122% (0.80   0.02   0.02) =   0.016%
          QG2   VAL   41 - HA    VAL   24   9.66 +/- 1.12   0.044% *  0.6151% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    VAL   24  10.02 +/- 1.06   0.036% *  0.3649% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   24  15.33 +/- 0.92   0.002% *  1.3122% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    VAL   24  16.21 +/- 0.82   0.001% *  1.5128% (0.92   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   24  16.74 +/- 1.35   0.001% *  0.3649% (0.22   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   24  20.12 +/- 1.78   0.000% *  0.7347% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.2:
      O T HB    VAL   24 - HA    VAL   24   2.62 +/- 0.31  99.969% * 98.9275% (1.00  10.0 10.00   3.97  65.15) = 100.000%  kept
          QB    GLN   32 - HA    VAL   24  10.49 +/- 0.46   0.029% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - HA    VAL   24  23.34 +/- 0.95   0.000% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    VAL   24  19.60 +/- 1.12   0.001% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  20.32 +/- 1.49   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    VAL   24  24.65 +/- 0.97   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2388 (2.99, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.0, residual support = 26.0:
        T HB3   TRP   27 - HA    VAL   24   3.34 +/- 0.22  99.971% * 99.7179% (1.00 10.00   3.00  25.95) = 100.000%  kept
          QE    LYS+ 106 - HA    VAL   24  16.49 +/- 1.83   0.010% *  0.0647% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    VAL   24  17.34 +/- 0.87   0.006% *  0.0991% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    VAL   24  17.22 +/- 1.04   0.006% *  0.0448% (0.45  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    VAL   24  18.47 +/- 0.71   0.004% *  0.0486% (0.49  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    VAL   24  19.99 +/- 0.69   0.002% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.34, residual support = 65.2:
      O   HN    VAL   24 - HA    VAL   24   2.78 +/- 0.04 100.000% *100.0000% (0.97  10.0   4.34  65.15) = 100.000%  kept
    Distance limit 3.36 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 = 0.889, support = 5.65, residual support = 32.5:
      O   HN    GLU-  25 - HA    VAL   24   3.58 +/- 0.01  62.355% * 86.2570% (0.92  10.0   5.66  34.41) =  91.317%  kept
          HN    ASN   28 - HA    VAL   24   3.91 +/- 0.21  37.451% * 13.6547% (0.53   1.0   5.56  11.91) =   8.682%  kept
          HN    ASP-  44 - HA    VAL   24   9.60 +/- 0.78   0.195% *  0.0884% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2391 (7.75, 3.77, 66.14 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 3.02, residual support = 26.0:
          HN    TRP   27 - HA    VAL   24   3.07 +/- 0.10  99.788% * 94.6399% (0.45   3.02  25.95) =  99.997%  kept
          HD1   TRP   87 - HA    VAL   24   8.91 +/- 0.93   0.193% *  1.3849% (0.99   0.02   0.02) =   0.003%
          HN    GLU-  36 - HA    VAL   24  15.99 +/- 0.28   0.005% *  1.2120% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HA    VAL   24  17.23 +/- 0.47   0.003% *  1.3696% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   24  18.38 +/- 2.11   0.003% *  0.9598% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    VAL   24  15.70 +/- 0.87   0.006% *  0.2447% (0.18   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   24  19.51 +/- 0.99   0.002% *  0.1891% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2392 (1.11, 2.11, 32.16 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.23, residual support = 65.2:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.01  99.983% * 98.9402% (0.98  10.0 10.00   3.23  65.15) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  11.88 +/- 0.46   0.003% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  14.14 +/- 2.99   0.003% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  10.25 +/- 0.22   0.008% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  21.61 +/- 1.28   0.000% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  14.97 +/- 1.79   0.001% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  17.87 +/- 1.27   0.000% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.43 +/- 0.89   0.000% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  16.00 +/- 1.66   0.001% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  23.62 +/- 2.59   0.000% *  0.0597% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  23.80 +/- 1.94   0.000% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  28.84 +/- 2.30   0.000% *  0.1009% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2393 (1.07, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.19, residual support = 65.2:
      O   QG2   VAL   24 - HB    VAL   24   2.13 +/- 0.01  99.989% * 99.6470% (1.00  10.0   3.19  65.15) = 100.000%  kept
          HG    LEU   63 - HB2   PRO   68  11.42 +/- 1.83   0.009% *  0.0579% (0.58   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  14.97 +/- 1.79   0.001% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HG    LEU   63 - HB    VAL   24  21.52 +/- 1.21   0.000% *  0.0979% (0.98   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  17.87 +/- 1.27   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   PRO   68  21.44 +/- 0.64   0.000% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  24.17 +/- 3.03   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  28.25 +/- 2.10   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 0.828, support = 1.64, residual support = 5.89:
          QD2   LEU   80 - HB    VAL   24   2.62 +/- 0.75  47.798% * 58.2457% (0.80   1.96   9.40) =  58.665%  kept
          QG1   VAL   83 - HB    VAL   24   2.62 +/- 0.75  52.001% * 37.7207% (0.87   1.17   0.90) =  41.334%  kept
          QD1   LEU   73 - HB    VAL   24   8.18 +/- 0.68   0.084% *  0.3046% (0.41   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB2   PRO   68  12.12 +/- 1.70   0.026% *  0.4229% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   PRO   68  10.69 +/- 1.62   0.038% *  0.1802% (0.24   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB    VAL   24   9.41 +/- 1.13   0.033% *  0.1847% (0.25   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   PRO   68  15.08 +/- 2.61   0.008% *  0.3349% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   PRO   68  13.37 +/- 0.61   0.008% *  0.1802% (0.24   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   24  18.12 +/- 1.52   0.001% *  0.7150% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   24  16.65 +/- 1.15   0.001% *  0.3046% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   PRO   68  19.42 +/- 0.97   0.001% *  0.3509% (0.47   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   PRO   68  21.91 +/- 1.52   0.001% *  0.3801% (0.51   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   24  21.05 +/- 1.82   0.000% *  0.5662% (0.76   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   PRO   68  20.28 +/- 0.93   0.001% *  0.1093% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.887, support = 3.99, residual support = 64.8:
      O T HA    VAL   24 - HB    VAL   24   2.62 +/- 0.31  90.601% * 89.0301% (0.90  10.0 10.00   3.97  65.15) =  98.816%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.93 +/- 0.11   9.396% * 10.2842% (0.10  10.0  1.00   5.47  35.51) =   1.184%  kept
          HA    LYS+  38 - HB2   PRO   68  15.97 +/- 0.85   0.002% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  23.34 +/- 0.95   0.000% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  20.30 +/- 0.54   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  24.65 +/- 1.32   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2396 (2.10, 1.10, 23.10 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.23, residual support = 65.2:
      O T HB    VAL   24 - QG1   VAL   24   2.11 +/- 0.01  99.990% * 98.6521% (0.92  10.0 10.00   3.23  65.15) = 100.000%  kept
          QB    GLN   32 - QG1   VAL   24  10.20 +/- 0.53   0.008% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - QG1   VAL   24  21.61 +/- 1.28   0.000% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG1   VAL   24  18.03 +/- 1.73   0.000% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  16.88 +/- 1.62   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  17.70 +/- 1.20   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG1   VAL   24  21.68 +/- 1.55   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  24.99 +/- 1.93   0.000% *  0.0238% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2397 (8.80, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.333, support = 5.8, residual support = 32.5:
      O   HN    ASN   69 - HB2   PRO   68   3.47 +/- 0.57  54.273% * 44.2630% (0.20  10.0   5.85  31.86) =  61.319%  kept
          HN    GLU-  25 - HB    VAL   24   3.62 +/- 0.56  42.832% * 33.9751% (0.53   1.0   5.89  34.41) =  37.145%  kept
          HN    ASN   28 - HB    VAL   24   5.77 +/- 0.21   2.825% * 21.3014% (0.92   1.0   2.10  11.91) =   1.536%  kept
          HN    ASP-  44 - HB    VAL   24  11.28 +/- 1.11   0.062% *  0.1242% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  16.14 +/- 0.69   0.006% *  0.0735% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.49 +/- 0.97   0.001% *  0.1198% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  23.81 +/- 0.85   0.001% *  0.0748% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  25.78 +/- 1.14   0.000% *  0.0683% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 65.2:
      O   HN    VAL   24 - HB    VAL   24   2.41 +/- 0.32 100.000% * 99.9409% (0.38  10.0   4.68  65.15) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  25.30 +/- 1.09   0.000% *  0.0591% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2399 (9.23, 1.10, 23.10 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.09, residual support = 65.2:
          HN    VAL   24 - QG1   VAL   24   2.31 +/- 0.53 100.000% *100.0000% (0.73   4.09  65.15) = 100.000%  kept
    Distance limit 3.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2400 (8.80, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.07, residual support = 127.6:
      O   HN    GLU-  25 - HB2   GLU-  25   2.83 +/- 0.41  97.503% * 99.5455% (0.41  10.0   6.07 127.62) =  99.994%  kept
          HN    ASN   28 - HB2   GLU-  25   5.53 +/- 0.18   2.490% *  0.2373% (0.98   1.0   0.02   2.74) =   0.006%
          HN    ASP-  44 - HB2   GLU-  25  14.55 +/- 0.53   0.007% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   GLU-  25  24.53 +/- 0.66   0.000% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 5.86, residual support = 127.6:
      O   HN    GLU-  25 - HB3   GLU-  25   2.63 +/- 0.73  97.452% * 99.5455% (0.41  10.0   5.86 127.62) =  99.994%  kept
          HN    ASN   28 - HB3   GLU-  25   5.71 +/- 0.15   2.542% *  0.2373% (0.98   1.0   0.02   2.74) =   0.006%
          HN    ASP-  44 - HB3   GLU-  25  14.85 +/- 0.78   0.006% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  25.05 +/- 0.70   0.000% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2402 (8.14, 2.01, 28.95 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 5.26, residual support = 29.3:
          HN    THR   26 - HB3   GLU-  25   3.26 +/- 0.13  99.997% * 98.7449% (0.34   5.26  29.34) = 100.000%  kept
          HN    LEU   71 - HB3   GLU-  25  19.20 +/- 0.80   0.003% *  0.8418% (0.76   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   GLU-  25  31.46 +/- 1.40   0.000% *  0.4134% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 2.96, residual support = 2.96:
          HN    SER   85 - HA    SER   82   3.51 +/- 0.13  98.688% * 92.1173% (0.26   2.96   2.96) =  99.987%  kept
          HN    GLN   32 - HA    GLU-  25   9.21 +/- 0.27   0.312% *  2.4019% (1.00   0.02   0.02) =   0.008%
          HN    LEU   80 - HA    SER   82   8.04 +/- 0.17   0.712% *  0.2401% (0.10   0.02   0.02) =   0.002%
          HN    LEU   80 - HA    GLU-  25  10.07 +/- 0.46   0.197% *  0.7413% (0.31   0.02   0.02) =   0.002%
          HN    SER   85 - HA    GLU-  25  13.30 +/- 0.51   0.036% *  1.9233% (0.80   0.02   0.02) =   0.001%
          HN    ALA   34 - HA    GLU-  25  12.73 +/- 0.32   0.044% *  0.9874% (0.41   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   82  18.80 +/- 1.29   0.005% *  0.7781% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   82  21.52 +/- 1.30   0.002% *  0.3199% (0.13   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    SER   82  19.21 +/- 1.06   0.004% *  0.1201% (0.05   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    GLU-  25  24.51 +/- 1.05   0.001% *  0.3706% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.437, support = 5.73, residual support = 122.0:
      O   HN    GLU-  25 - HA    GLU-  25   2.70 +/- 0.01  88.297% * 73.4759% (0.41  10.0   5.86 127.62) =  95.495%  kept
          HN    ASN   28 - HA    GLU-  25   3.79 +/- 0.09  11.666% * 26.2313% (0.98   1.0   2.99   2.74) =   4.505%  kept
          HN    GLU-  25 - HA    SER   82  10.94 +/- 0.69   0.022% *  0.0238% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HA    SER   82  13.21 +/- 1.10   0.008% *  0.0567% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    GLU-  25  13.98 +/- 0.68   0.005% *  0.0801% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  15.47 +/- 0.57   0.003% *  0.0260% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  24.15 +/- 0.67   0.000% *  0.0801% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  29.29 +/- 1.09   0.000% *  0.0260% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 0.311, support = 4.21, residual support = 8.71:
          HN    ALA   84 - HA    SER   82   4.12 +/- 0.07  64.379% * 54.7165% (0.20   5.35  11.02) =  72.095%  kept
          HD21  ASN   28 - HA    GLU-  25   4.59 +/- 0.13  34.018% * 40.0653% (0.61   1.27   2.74) =  27.895%  kept
          HZ2   TRP   87 - HA    GLU-  25  10.17 +/- 2.77   0.612% *  0.4282% (0.41   0.02   0.02) =   0.005%
          HN    ALA   84 - HA    GLU-  25  11.46 +/- 0.51   0.144% *  0.6318% (0.61   0.02   0.02) =   0.002%
          HE21  GLN   32 - HA    GLU-  25  11.38 +/- 1.56   0.278% *  0.2319% (0.22   0.02   0.02) =   0.001%
          HD21  ASN   28 - HA    SER   82  10.94 +/- 1.58   0.273% *  0.2047% (0.20   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HA    SER   82  10.39 +/- 1.02   0.283% *  0.1387% (0.13   0.02   0.02) =   0.001%
          HN    LEU   63 - HA    GLU-  25  24.41 +/- 0.66   0.002% *  1.0324% (0.99   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    GLU-  25  26.54 +/- 1.02   0.001% *  0.9853% (0.95   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    SER   82  22.73 +/- 0.88   0.002% *  0.3192% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    SER   82  22.18 +/- 1.03   0.003% *  0.2047% (0.20   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    GLU-  25  27.31 +/- 1.33   0.001% *  0.6318% (0.61   0.02   0.02) =   0.000%
          HN    LEU   63 - HA    SER   82  25.41 +/- 0.71   0.001% *  0.3344% (0.32   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    SER   82  21.83 +/- 2.31   0.004% *  0.0751% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.991, support = 0.75, residual support = 2.74:
          HB2   ASN   28 - HA    GLU-  25   3.61 +/- 0.21  97.615% * 86.9739% (0.99   0.75   2.74) =  99.981%  kept
          HB2   ASP-  86 - HA    SER   82   7.23 +/- 0.54   1.862% *  0.5504% (0.24   0.02   0.02) =   0.012%
          QE    LYS+  33 - HA    GLU-  25  12.02 +/- 1.69   0.115% *  2.3348% (1.00   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HA    GLU-  25  11.74 +/- 0.81   0.094% *  1.6992% (0.73   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HA    SER   82  11.68 +/- 0.34   0.092% *  0.4598% (0.20   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    GLU-  25  12.49 +/- 0.92   0.064% *  0.4631% (0.20   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  25  15.47 +/- 0.90   0.018% *  1.4193% (0.61   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    SER   82  14.14 +/- 1.11   0.031% *  0.7513% (0.32   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    GLU-  25  14.59 +/- 0.70   0.025% *  0.8782% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    SER   82  12.02 +/- 0.35   0.077% *  0.1500% (0.06   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  25  23.90 +/- 2.37   0.002% *  2.1601% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    SER   82  21.30 +/- 1.63   0.003% *  0.7563% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    SER   82  26.51 +/- 1.73   0.001% *  0.6997% (0.30   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    SER   82  22.96 +/- 1.50   0.002% *  0.2845% (0.12   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  25  24.13 +/- 0.80   0.001% *  0.3167% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    SER   82  30.06 +/- 1.15   0.000% *  0.1026% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.321, support = 2.79, residual support = 11.0:
          QB    ALA   84 - HA    SER   82   4.34 +/- 0.09  90.132% * 79.0267% (0.32   2.79  11.02) =  99.935%  kept
          HB3   LEU   80 - HA    SER   82   6.88 +/- 0.42   6.287% *  0.2778% (0.16   0.02   0.02) =   0.025%
          HB3   LEU   80 - HA    GLU-  25   9.01 +/- 0.98   1.468% *  0.8576% (0.49   0.02   0.02) =   0.018%
          HB2   LEU   31 - HA    GLU-  25   9.10 +/- 0.24   1.092% *  0.6010% (0.34   0.02   0.02) =   0.009%
          QB    ALA   84 - HA    GLU-  25  11.47 +/- 0.48   0.274% *  1.7463% (0.99   0.02   0.02) =   0.007%
          HB3   LEU   73 - HA    GLU-  25  11.62 +/- 1.10   0.290% *  0.7243% (0.41   0.02   0.02) =   0.003%
          HG3   LYS+  33 - HA    GLU-  25  13.36 +/- 1.97   0.178% *  0.4899% (0.28   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    GLU-  25  16.32 +/- 1.38   0.038% *  1.6667% (0.95   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    GLU-  25  17.13 +/- 0.95   0.025% *  1.2794% (0.73   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  25  16.97 +/- 0.71   0.026% *  0.6010% (0.34   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    SER   82  17.04 +/- 0.47   0.025% *  0.4145% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    SER   82  18.25 +/- 0.68   0.017% *  0.5695% (0.32   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    SER   82  18.34 +/- 1.13   0.017% *  0.5399% (0.31   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  25  22.32 +/- 0.87   0.005% *  1.7580% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    SER   82  16.34 +/- 1.09   0.036% *  0.2346% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    GLU-  25  21.90 +/- 1.17   0.006% *  1.1398% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    SER   82  17.01 +/- 1.34   0.029% *  0.1947% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    GLU-  25  21.69 +/- 1.85   0.007% *  0.7899% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU-  25  22.99 +/- 0.96   0.004% *  1.0687% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    SER   82  19.83 +/- 1.12   0.011% *  0.3692% (0.21   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU-  25  28.80 +/- 1.56   0.001% *  1.5283% (0.87   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    SER   82  20.78 +/- 0.76   0.008% *  0.1947% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    GLU-  25  25.84 +/- 1.81   0.002% *  0.6010% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    SER   82  23.95 +/- 1.01   0.003% *  0.3462% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    SER   82  23.53 +/- 1.65   0.004% *  0.2559% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    SER   82  23.16 +/- 2.20   0.005% *  0.1587% (0.09   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    SER   82  23.54 +/- 1.40   0.004% *  0.1587% (0.09   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU-  25  29.35 +/- 1.69   0.001% *  0.4899% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  25  32.45 +/- 1.38   0.001% *  0.9270% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    SER   82  27.91 +/- 1.33   0.001% *  0.3003% (0.17   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    SER   82  30.63 +/- 1.02   0.001% *  0.4951% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    SER   82  28.73 +/- 1.35   0.001% *  0.1947% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 9 structures by 0.86 A, kept.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.533, support = 0.0199, residual support = 0.0199:
          QG2   VAL  108 - HA    SER   82  14.08 +/- 1.26  64.317% *  7.4304% (0.30   0.02   0.02) =  49.204%  kept
          QG2   VAL  108 - HA    GLU-  25  18.41 +/- 1.26  12.848% * 22.9376% (0.92   0.02   0.02) =  30.341%  kept
          HB2   LEU  104 - HA    GLU-  25  22.84 +/- 0.97   3.769% * 19.8967% (0.80   0.02   0.02) =   7.722%  kept
          QD1   ILE  119 - HA    GLU-  25  22.46 +/- 1.59   4.378% * 12.0948% (0.49   0.02   0.02) =   5.451%  kept
          QD1   ILE  119 - HA    SER   82  21.78 +/- 1.20   4.983% *  3.9180% (0.16   0.02   0.02) =   2.010%  kept
          HB2   LEU  104 - HA    SER   82  23.90 +/- 1.01   2.774% *  6.4453% (0.26   0.02   0.02) =   1.841%  kept
          HG    LEU   63 - HA    GLU-  25  23.96 +/- 1.23   2.883% *  5.5320% (0.22   0.02   0.02) =   1.642%  kept
          HG3   LYS+ 112 - HA    GLU-  25  32.34 +/- 1.74   0.487% * 15.0711% (0.61   0.02   0.02) =   0.756%  kept
          HG3   LYS+ 112 - HA    SER   82  27.78 +/- 1.42   1.181% *  4.8821% (0.20   0.02   0.02) =   0.594%  kept
          HG    LEU   63 - HA    SER   82  24.74 +/- 1.44   2.380% *  1.7920% (0.07   0.02   0.02) =   0.439%
    Distance limit 3.85 A violated in 20 structures by 9.24 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.259, support = 2.29, residual support = 13.3:
          HB2   GLU-  29 - HA    THR   26   2.56 +/- 0.65  88.724% * 13.7598% (0.22   0.97   1.41) =  57.450%  kept
          HB2   GLU-  25 - HA    THR   26   4.20 +/- 0.35  11.257% * 80.3217% (0.31   4.07  29.34) =  42.550%  kept
          HB3   ASP-  76 - HA    THR   26  13.55 +/- 0.74   0.008% *  1.1457% (0.90   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    THR   26  15.29 +/- 0.54   0.003% *  1.1457% (0.90   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    THR   26  15.07 +/- 1.29   0.005% *  0.5252% (0.41   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    THR   26  18.93 +/- 1.01   0.001% *  1.2084% (0.95   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    THR   26  18.19 +/- 0.95   0.001% *  0.6218% (0.49   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    THR   26  23.45 +/- 0.68   0.000% *  0.8775% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    THR   26  25.00 +/- 1.66   0.000% *  0.3943% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.72, residual support = 35.6:
      O   HN    THR   26 - HA    THR   26   2.86 +/- 0.02  99.995% * 99.6670% (0.34  10.0   4.72  35.63) = 100.000%  kept
          HN    LEU   71 - HA    THR   26  15.21 +/- 0.77   0.005% *  0.2233% (0.76   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    THR   26  30.14 +/- 0.87   0.000% *  0.1097% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.46, support = 1.25, residual support = 3.12:
          HN    GLN   30 - HA    THR   26   4.07 +/- 0.26  17.710% * 78.7725% (0.69   1.52   4.77) =  51.105%  kept
          HN    GLU-  29 - HA    THR   26   3.11 +/- 0.12  82.278% * 16.2226% (0.22   0.97   1.41) =  48.895%  kept
          HN    GLU-  14 - HA    THR   26  16.38 +/- 1.47   0.005% *  1.4782% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   26  15.66 +/- 0.38   0.005% *  0.9147% (0.61   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   26  18.96 +/- 1.05   0.002% *  1.2596% (0.84   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   26  23.25 +/- 2.67   0.001% *  1.3524% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.516, support = 2.12, residual support = 10.2:
          HN    THR   23 - HB    THR   26   3.78 +/- 0.10  49.898% * 73.9702% (0.38   2.66  13.20) =  77.087%  kept
          HD2   HIS   22 - HB    THR   26   3.79 +/- 0.33  50.077% * 21.9073% (0.99   0.30   0.12) =  22.912%  kept
          HD21  ASN   35 - HB    THR   26  15.77 +/- 0.85   0.010% *  1.0174% (0.69   0.02   0.02) =   0.000%
          QE    PHE   95 - HB    THR   26  15.43 +/- 0.62   0.011% *  0.5052% (0.34   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB    THR   26  20.64 +/- 1.51   0.002% *  1.4680% (0.99   0.02   0.02) =   0.000%
          HN    LEU   67 - HB    THR   26  20.68 +/- 0.91   0.002% *  1.1319% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 4.47, residual support = 22.4:
          HN    TRP   27 - HB    THR   26   2.93 +/- 0.10  99.974% * 98.0916% (0.84   4.47  22.35) = 100.000%  kept
          HD1   TRP   87 - HB    THR   26  13.77 +/- 0.86   0.010% *  0.4557% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HB    THR   26  16.54 +/- 0.62   0.003% *  0.4712% (0.90   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    THR   26  15.04 +/- 0.39   0.006% *  0.2557% (0.49   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    THR   26  16.21 +/- 1.28   0.004% *  0.0920% (0.18   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   26  19.90 +/- 1.02   0.001% *  0.2557% (0.49   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    THR   26  19.78 +/- 1.01   0.001% *  0.2160% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   26  20.75 +/- 2.18   0.001% *  0.1621% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2414 (8.13, 4.23, 69.37 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.16, residual support = 35.6:
      O   HN    THR   26 - HB    THR   26   2.15 +/- 0.11  99.999% * 99.9615% (0.80  10.0   4.16  35.63) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  15.15 +/- 0.67   0.001% *  0.0385% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2415 (4.62, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 0.75, residual support = 2.73:
          HA    CYS   21 - QG2   THR   26   1.77 +/- 0.07  99.862% * 81.7100% (0.18   0.75   2.73) =  99.982%  kept
          HA    ALA   20 - QG2   THR   26   5.35 +/- 0.10   0.134% * 10.7923% (0.87   0.02   0.02) =   0.018%
          HA    LEU   71 - QG2   THR   26   9.87 +/- 0.55   0.004% *  1.9197% (0.15   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QG2   THR   26  16.86 +/- 1.18   0.000% *  5.5780% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.896, support = 0.0199, residual support = 0.0199:
          HB2   GLU-  14 - QG2   THR   26  10.36 +/- 1.06  78.750% * 18.7520% (0.92   0.02   0.02) =  86.377%  kept
          HG2   MET   11 - QG2   THR   26  17.27 +/- 1.96   4.630% * 19.2160% (0.95   0.02   0.02) =   5.204%  kept
          HB2   PRO   93 - QG2   THR   26  17.02 +/- 0.66   4.492% * 12.3210% (0.61   0.02   0.02) =   3.238%  kept
          HG3   PRO   52 - QG2   THR   26  20.07 +/- 1.23   1.600% * 17.6208% (0.87   0.02   0.02) =   1.649%  kept
          HG2   PRO   58 - QG2   THR   26  21.03 +/- 0.73   1.272% * 17.6208% (0.87   0.02   0.02) =   1.311%  kept
          HB2   PRO   68 - QG2   THR   26  16.83 +/- 1.29   5.271% *  3.1343% (0.15   0.02   0.02) =   0.966%  kept
          HB    VAL  108 - QG2   THR   26  18.50 +/- 0.92   2.917% *  5.0653% (0.25   0.02   0.02) =   0.864%  kept
          HB2   ARG+  54 - QG2   THR   26  21.84 +/- 1.38   1.068% *  6.2698% (0.31   0.02   0.02) =   0.392%
    Distance limit 3.36 A violated in 20 structures by 6.59 A, eliminated.
    Peak unassigned.
 
    Peak 2417 (2.73, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 0.75, residual support = 4.77:
        T HG2   GLN   30 - QG2   THR   26   2.53 +/- 0.44  99.732% * 99.5048% (0.99 10.00   0.75   4.77) =  99.999%  kept
          HB3   ASN   28 - QG2   THR   26   7.28 +/- 0.11   0.266% *  0.2584% (0.97  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 121 - QG2   THR   26  18.88 +/- 1.87   0.001% *  0.1624% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - QG2   THR   26  19.25 +/- 1.19   0.001% *  0.0744% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 0.911, support = 3.04, residual support = 11.9:
          QD1   LEU   73 - HB3   TRP   27   3.40 +/- 0.72  53.237% * 49.1722% (1.00   2.72  14.34) =  55.111%  kept
          QD2   LEU   80 - HB3   TRP   27   3.68 +/- 0.86  42.904% * 49.6923% (0.80   3.44   8.95) =  44.884%  kept
          QG1   VAL   83 - HB3   TRP   27   5.79 +/- 1.34   3.833% *  0.0633% (0.18   0.02   2.34) =   0.005%
          QD1   LEU   63 - HB3   TRP   27  13.21 +/- 0.90   0.010% *  0.3613% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   TRP   27  13.90 +/- 0.91   0.008% *  0.2046% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   TRP   27  14.68 +/- 1.37   0.006% *  0.2046% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   TRP   27  18.40 +/- 1.77   0.002% *  0.3018% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2420 (3.78, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.0, residual support = 26.0:
        T HA    VAL   24 - HB3   TRP   27   3.34 +/- 0.22  99.685% * 98.5200% (0.76 10.00   3.00  25.95) = 100.000%  kept
        T HA    LYS+  38 - HB3   TRP   27  15.88 +/- 0.73   0.010% *  1.2636% (0.98 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   TRP   27   9.20 +/- 1.17   0.292% *  0.0174% (0.14  1.00   0.02   2.34) =   0.000%
        T HA    GLU- 100 - HB3   TRP   27  15.49 +/- 0.99   0.012% *  0.1989% (0.15 10.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 26.0:
          HA    VAL   24 - HB2   TRP   27   1.88 +/- 0.12 100.000% * 99.1878% (0.97   3.00  25.95) = 100.000%  kept
          HA    LYS+  38 - HB2   TRP   27  16.69 +/- 0.56   0.000% *  0.5487% (0.80   0.02   0.02) =   0.000%
          HA    ALA   61 - HB2   TRP   27  17.68 +/- 1.14   0.000% *  0.0927% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB2   TRP   27  20.86 +/- 1.26   0.000% *  0.1709% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 0.956, support = 3.34, residual support = 9.71:
          QD2   LEU   80 - HB2   TRP   27   3.24 +/- 0.60  72.692% * 49.5032% (0.98   3.42   8.95) =  81.817%  kept
          QD1   LEU   73 - HB2   TRP   27   4.72 +/- 0.63  17.302% * 41.6188% (0.90   3.15  14.34) =  16.372%  kept
          QG1   VAL   83 - HB2   TRP   27   4.92 +/- 1.11   9.976% *  7.9836% (0.38   1.44   2.34) =   1.811%  kept
          QD1   LEU   63 - HB2   TRP   27  14.52 +/- 0.90   0.011% *  0.2646% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   TRP   27  15.72 +/- 1.33   0.008% *  0.2464% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   TRP   27  15.23 +/- 0.86   0.008% *  0.0911% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   TRP   27  19.59 +/- 1.77   0.002% *  0.2924% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 3.1, residual support = 17.2:
          QD1   LEU   31 - HA    ASN   28   3.05 +/- 0.63 100.000% *100.0000% (0.76   3.10  17.20) = 100.000%  kept
    Distance limit 3.60 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.223, support = 5.0, residual support = 92.2:
      O T HA    GLU-  29 - HG3   GLU-  29   3.51 +/- 0.16  99.684% * 97.0747% (0.22  10.0 10.00   5.00  92.21) =  99.996%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.82 +/- 0.81   0.263% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          HB2   SER   37 - HG3   GLU-  29  15.27 +/- 1.07   0.018% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   GLU-  29  18.65 +/- 0.93   0.005% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLU-  29  15.46 +/- 1.23   0.016% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLU-  29  16.70 +/- 0.96   0.011% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLU-  29  21.17 +/- 1.27   0.003% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   GLU-  29  31.22 +/- 1.45   0.000% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.65, residual support = 101.3:
      O   HD1   TRP   27 - HB2   TRP   27   2.71 +/- 0.28  99.841% * 99.7286% (0.98  10.0   3.65 101.26) = 100.000%  kept
          HE21  GLN   30 - HB2   TRP   27   8.40 +/- 0.59   0.157% *  0.0939% (0.92   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HB2   TRP   27  18.29 +/- 1.60   0.002% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   TRP   27  22.62 +/- 1.92   0.000% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 5.41, residual support = 101.3:
      O   HN    TRP   27 - HB2   TRP   27   2.09 +/- 0.10  99.980% * 99.5184% (0.76  10.0   5.41 101.26) = 100.000%  kept
          HD1   TRP   87 - HB2   TRP   27   9.47 +/- 0.82   0.013% *  0.1202% (0.92   1.0   0.02   6.00) =   0.000%
          HN    THR   39 - HB2   TRP   27  15.54 +/- 0.47   0.001% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  11.57 +/- 1.28   0.004% *  0.0176% (0.14   1.0   0.02   6.00) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  14.47 +/- 0.35   0.001% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   TRP   27  16.36 +/- 0.81   0.000% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  17.30 +/- 2.11   0.000% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  18.67 +/- 1.08   0.000% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2427 (8.81, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.918, support = 5.28, residual support = 46.6:
          HN    ASN   28 - HB2   TRP   27   3.10 +/- 0.29  91.080% * 93.3742% (0.92   5.30  46.84) =  99.371%  kept
          HN    GLU-  25 - HB2   TRP   27   4.66 +/- 0.13   8.608% *  6.2530% (0.15   2.12   0.53) =   0.629%  kept
          HN    ASP-  44 - HB2   TRP   27   8.69 +/- 0.84   0.310% *  0.0669% (0.18   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   TRP   27  19.84 +/- 0.75   0.002% *  0.3058% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 4.5, residual support = 101.3:
      O   HE3   TRP   27 - HB3   TRP   27   2.89 +/- 0.23  97.538% * 99.4719% (0.76  10.0   4.50 101.26) =  99.997%  kept
          HN    THR   23 - HB3   TRP   27   5.75 +/- 0.60   2.220% *  0.1276% (0.98   1.0   0.02   1.11) =   0.003%
          HD2   HIS   22 - HB3   TRP   27   8.32 +/- 0.54   0.217% *  0.0290% (0.22   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   TRP   27  12.03 +/- 0.90   0.021% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   27  18.05 +/- 0.94   0.002% *  0.0894% (0.69   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  18.55 +/- 1.92   0.002% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   TRP   27  21.54 +/- 1.04   0.001% *  0.1087% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2429 (7.19, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.09, residual support = 101.3:
      O   HD1   TRP   27 - HB3   TRP   27   3.64 +/- 0.13  98.026% * 99.7286% (0.98  10.0   4.09 101.26) =  99.998%  kept
          HE21  GLN   30 - HB3   TRP   27   7.16 +/- 0.72   1.960% *  0.0939% (0.92   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HB3   TRP   27  16.98 +/- 1.60   0.011% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB3   TRP   27  22.11 +/- 2.03   0.003% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2430 (7.74, 2.99, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.64, residual support = 101.3:
      O   HN    TRP   27 - HB3   TRP   27   3.04 +/- 0.21  99.775% * 99.5184% (0.76  10.0   5.64 101.26) = 100.000%  kept
          HD1   TRP   87 - HB3   TRP   27   9.31 +/- 0.77   0.136% *  0.1202% (0.92   1.0   0.02   6.00) =   0.000%
          HN    THR   39 - HB3   TRP   27  14.57 +/- 0.59   0.010% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   TRP   27  14.04 +/- 0.48   0.012% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   TRP   27  11.30 +/- 1.21   0.052% *  0.0176% (0.14   1.0   0.02   6.00) =   0.000%
          HN    LYS+ 102 - HB3   TRP   27  16.45 +/- 2.14   0.006% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   TRP   27  15.98 +/- 0.81   0.005% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   TRP   27  17.18 +/- 1.07   0.004% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2431 (8.82, 2.99, 30.32 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 5.77, residual support = 46.8:
          HN    ASN   28 - HB3   TRP   27   4.18 +/- 0.24  99.984% * 99.4716% (0.65   5.77  46.84) = 100.000%  kept
          HN    ASN   69 - HB3   TRP   27  18.27 +/- 0.82   0.016% *  0.5284% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.55 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.223, support = 3.78, residual support = 17.2:
          HN    LEU   31 - HA    ASN   28   3.29 +/- 0.12  99.930% * 95.3773% (0.22   3.78  17.20) =  99.999%  kept
          HN    LYS+  38 - HA    ASN   28  12.80 +/- 0.32   0.029% *  2.2213% (0.98   0.02   0.02) =   0.001%
          HN    SER   37 - HA    ASN   28  12.19 +/- 0.31   0.039% *  0.3969% (0.18   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ASN   28  25.69 +/- 1.25   0.000% *  1.3745% (0.61   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ASN   28  22.81 +/- 0.84   0.001% *  0.6301% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 4.66, residual support = 8.66:
          HN    GLN   30 - HA    ASN   28   3.77 +/- 0.10  99.355% * 93.7070% (0.18   4.66   8.66) =  99.996%  kept
          HN    ASN   35 - HA    ASN   28   8.97 +/- 0.36   0.589% *  0.5115% (0.22   0.02   0.02) =   0.003%
          HN    LYS+  99 - HA    ASN   28  14.14 +/- 1.09   0.042% *  2.1207% (0.92   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    ASN   28  18.67 +/- 1.42   0.008% *  1.6682% (0.73   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASN   28  20.44 +/- 3.31   0.006% *  1.9927% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.32, residual support = 94.7:
      O   HN    ASN   28 - HB2   ASN   28   2.60 +/- 0.11  99.986% * 99.7686% (0.65  10.0   6.32  94.66) = 100.000%  kept
          HN    ASN   28 - HB2   ASN   35  11.84 +/- 0.90   0.013% *  0.0310% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  17.89 +/- 0.95   0.001% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   28  22.12 +/- 0.72   0.000% *  0.1529% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 3.6, residual support = 94.7:
      O   HD22  ASN   28 - HB3   ASN   28   3.27 +/- 0.35  99.994% * 99.9746% (0.98  10.0   3.60  94.66) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  17.21 +/- 0.69   0.006% *  0.0254% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2436 (7.62, 2.73, 38.30 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.45, residual support = 94.7:
      O   HD21  ASN   28 - HB3   ASN   28   3.85 +/- 0.19  98.719% * 99.7595% (0.87  10.0   3.45  94.66) =  99.999%  kept
          HZ2   TRP   87 - HB3   ASN   28   8.78 +/- 2.76   1.265% *  0.1127% (0.98   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HB3   ASN   28  17.26 +/- 1.12   0.013% *  0.0790% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HB3   ASN   28  23.73 +/- 0.64   0.002% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HB3   ASN   28  27.14 +/- 1.16   0.001% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.45 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.5, support = 5.46, residual support = 31.1:
          HN    GLU-  29 - HB3   ASN   28   3.48 +/- 0.16  90.109% * 46.5817% (0.45   5.75  33.82) =  89.068%  kept
          HN    GLN   30 - HB3   ASN   28   5.05 +/- 0.06   9.835% * 52.3770% (0.92   3.14   8.66) =  10.931%  kept
          HN    ASP-  86 - HB3   ASN   28  12.82 +/- 0.89   0.041% *  0.3135% (0.87   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASN   28  15.98 +/- 1.14   0.011% *  0.2046% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASN   28  20.24 +/- 1.44   0.003% *  0.2894% (0.80   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASN   28  22.77 +/- 3.40   0.002% *  0.2338% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 6.05, residual support = 94.7:
      O   HN    ASN   28 - HB3   ASN   28   3.55 +/- 0.01  98.443% * 99.8777% (0.92  10.0   6.05  94.66) = 100.000%  kept
          HN    GLU-  25 - HB3   ASN   28   7.13 +/- 0.17   1.522% *  0.0167% (0.15   1.0   0.02   2.74) =   0.000%
          HN    ASP-  44 - HB3   ASN   28  13.58 +/- 0.72   0.033% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   ASN   28  21.99 +/- 0.79   0.002% *  0.0866% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2439 (8.33, 2.93, 38.30 ppm):
    10 chemical-shift based assignments, quality = 0.372, support = 0.0198, residual support = 8.57:
          HN    GLN   30 - HB2   ASN   28   4.45 +/- 0.05  98.178% *  7.8959% (0.38   0.02   8.66) =  98.999%  kept
          HN    GLN   30 - HB2   ASN   35   9.50 +/- 0.79   1.171% *  2.4562% (0.12   0.02   0.02) =   0.367%
          HN    LYS+  99 - HB2   ASN   35  11.66 +/- 1.26   0.387% *  6.5298% (0.31   0.02   0.02) =   0.323%
          HN    ASP-  86 - HB2   ASN   28  13.26 +/- 0.66   0.145% *  6.4934% (0.31   0.02   0.02) =   0.120%
          HN    LYS+  99 - HB2   ASN   28  17.08 +/- 1.09   0.033% * 20.9915% (1.00   0.02   0.02) =   0.089%
          HN    GLU-  14 - HB2   ASN   28  19.57 +/- 1.42   0.015% * 19.9013% (0.95   0.02   0.02) =   0.038%
          HN    GLU-  14 - HB2   ASN   35  18.04 +/- 1.81   0.027% *  6.1907% (0.29   0.02   0.02) =   0.022%
          HE1   HIS  122 - HB2   ASN   35  19.99 +/- 4.14   0.024% *  6.5298% (0.31   0.02   0.02) =   0.020%
          HE1   HIS  122 - HB2   ASN   28  23.24 +/- 3.20   0.007% * 20.9915% (1.00   0.02   0.02) =   0.018%
          HN    ASP-  86 - HB2   ASN   35  20.02 +/- 1.21   0.013% *  2.0199% (0.10   0.02   0.02) =   0.003%
    Distance limit 3.13 A violated in 20 structures by 1.31 A, eliminated.
    Peak unassigned.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 3.74, residual support = 94.7:
      O   HD21  ASN   28 - HB2   ASN   28   3.91 +/- 0.35  98.895% * 99.5979% (0.61  10.0   3.74  94.66) =  99.999%  kept
          HZ2   TRP   87 - HB2   ASN   28   9.41 +/- 2.71   0.924% *  0.1315% (0.80   1.0   0.02   0.02) =   0.001%
          HD21  ASN   28 - HB2   ASN   35  12.67 +/- 1.23   0.095% *  0.0310% (0.19   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   28  16.96 +/- 1.05   0.017% *  0.1516% (0.92   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASN   35  14.51 +/- 2.59   0.061% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   35  19.54 +/- 1.51   0.007% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.40 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.486, support = 5.37, residual support = 19.1:
      O   HN    GLN   30 - HA    GLU-  29   3.49 +/- 0.02  96.937% * 98.9280% (0.49  10.0   5.37  19.15) =  99.999%  kept
          HN    GLN   30 - HA    GLN   32   6.68 +/- 0.19   2.024% *  0.0222% (0.11   1.0   0.02   1.61) =   0.000%
          HN    GLN   30 - HA    LYS+  33   7.67 +/- 0.31   0.892% *  0.0271% (0.13   1.0   0.02   0.17) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  13.47 +/- 1.85   0.047% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  16.81 +/- 1.06   0.009% *  0.1961% (0.96   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  17.08 +/- 1.51   0.008% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  13.47 +/- 0.99   0.033% *  0.0439% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  14.65 +/- 0.82   0.019% *  0.0538% (0.26   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  16.75 +/- 0.71   0.008% *  0.0836% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  17.46 +/- 1.70   0.008% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  22.97 +/- 3.27   0.002% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  20.59 +/- 3.24   0.003% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  21.11 +/- 3.72   0.003% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  18.41 +/- 0.95   0.005% *  0.0187% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  21.65 +/- 0.99   0.002% *  0.0229% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.41 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.46, support = 5.31, residual support = 84.9:
      O   HN    GLU-  29 - HB2   GLU-  29   2.46 +/- 0.42  85.355% * 60.3287% (0.41  10.0   5.23  92.21) =  89.964%  kept
          HN    GLN   30 - HB2   GLU-  29   3.38 +/- 0.29  14.641% * 39.2364% (0.90   1.0   5.96  19.15) =  10.036%  kept
          HN    GLU-  14 - HB2   GLU-  29  16.05 +/- 1.51   0.002% *  0.1226% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLU-  29  16.85 +/- 0.65   0.001% *  0.1226% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  29  18.28 +/- 1.03   0.001% *  0.0890% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  29  23.29 +/- 2.98   0.000% *  0.1008% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2443 (8.31, 2.15, 30.32 ppm):
    12 chemical-shift based assignments, quality = 0.496, support = 4.79, residual support = 79.4:
      O   HN    GLU-  29 - HB3   GLU-  29   3.28 +/- 0.50  69.850% * 66.3694% (0.41  10.0   4.84  92.21) =  82.516%  kept
          HN    GLN   30 - HB3   GLU-  29   3.83 +/- 0.22  29.822% * 32.9384% (0.90   1.0   4.55  19.15) =  17.484%  kept
          HN    GLN   30 - QB    GLU-  36   9.14 +/- 0.33   0.176% *  0.0449% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  36  10.35 +/- 0.43   0.084% *  0.0206% (0.13   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    GLU-  36  13.13 +/- 1.94   0.033% *  0.0418% (0.26   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLU-  29  15.69 +/- 1.73   0.009% *  0.1348% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    GLU-  36  13.92 +/- 0.86   0.015% *  0.0303% (0.19   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  29  17.87 +/- 0.84   0.003% *  0.1348% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  29  18.39 +/- 1.05   0.003% *  0.0979% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    GLU-  36  19.61 +/- 3.07   0.003% *  0.0344% (0.21   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  29  23.57 +/- 3.10   0.001% *  0.1109% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    GLU-  36  21.28 +/- 0.94   0.001% *  0.0418% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2444 (2.44, 2.15, 30.32 ppm):
    16 chemical-shift based assignments, quality = 0.906, support = 4.4, residual support = 91.7:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.90 +/- 0.09  29.890% * 95.1378% (0.99  10.0 10.00   4.42  92.21) =  90.978%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.51 +/- 0.06  70.067% *  4.0244% (0.04  10.0 10.00   4.28  86.71) =   9.021%  kept
        T HG2   GLU-  29 - QB    GLU-  36   9.48 +/- 0.87   0.029% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU-  36 - HB3   GLU-  29  11.17 +/- 0.97   0.011% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB3   GLU-  29  16.31 +/- 0.95   0.001% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  18.39 +/- 0.72   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  18.01 +/- 0.85   0.001% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  19.37 +/- 1.11   0.000% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  17.40 +/- 0.83   0.001% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  26.26 +/- 0.98   0.000% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  21.55 +/- 0.53   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  23.97 +/- 0.61   0.000% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  24.39 +/- 0.77   0.000% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  29.68 +/- 2.20   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  22.98 +/- 0.61   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  28.35 +/- 2.22   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2445 (1.62, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 0.165, residual support = 0.165:
          QD    LYS+  33 - HA    GLN   30   4.50 +/- 1.07  99.777% * 71.7673% (0.95   0.17   0.17) =  99.988%  kept
          HD2   LYS+  74 - HA    GLN   30  14.52 +/- 0.37   0.183% *  3.4454% (0.38   0.02   0.02) =   0.009%
          QB    ALA   57 - HA    GLN   30  20.16 +/- 1.06   0.029% *  6.3059% (0.69   0.02   0.02) =   0.003%
          HB3   LEU  123 - HA    GLN   30  27.00 +/- 2.16   0.006% *  8.6840% (0.95   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    GLN   30  30.39 +/- 1.46   0.002% *  6.6661% (0.73   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   30  28.78 +/- 1.85   0.003% *  3.1314% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 10 structures by 0.96 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2446 (0.83, 3.84, 58.37 ppm):
    5 chemical-shift based assignments, quality = 0.195, support = 0.02, residual support = 0.02:
          QD1   LEU   71 - HA    GLN   30   7.17 +/- 2.73  96.021% *  8.2693% (0.15   0.02   0.02) =  90.162%  kept
          QD2   LEU  123 - HA    GLN   30  22.82 +/- 1.84   0.748% * 48.0646% (0.90   0.02   0.02) =   4.084%  kept
          HB3   LEU  104 - HA    GLN   30  19.61 +/- 0.82   1.568% * 22.0331% (0.41   0.02   0.02) =   3.924%  kept
          QD1   LEU  123 - HA    GLN   30  20.98 +/- 1.69   1.196% *  8.2693% (0.15   0.02   0.02) =   1.123%  kept
          HG3   LYS+ 121 - HA    GLN   30  23.51 +/- 1.65   0.466% * 13.3638% (0.25   0.02   0.02) =   0.707%  kept
    Distance limit 3.88 A violated in 18 structures by 3.20 A, eliminated.
    Peak unassigned.
 
    Peak 2447 (8.31, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.32, residual support = 155.6:
      O   HN    GLN   30 - HA    GLN   30   2.83 +/- 0.01  97.559% * 99.6773% (0.98  10.0   6.32 155.65) =  99.999%  kept
          HN    GLU-  29 - HA    GLN   30   5.23 +/- 0.03   2.418% *  0.0576% (0.57   1.0   0.02  19.15) =   0.001%
          HN    GLU-  14 - HA    GLN   30  12.84 +/- 1.47   0.015% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   30  14.88 +/- 1.08   0.005% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   30  17.67 +/- 0.79   0.002% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   30  19.51 +/- 3.06   0.001% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2448 (8.31, 2.04, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.42, residual support = 155.6:
      O   HN    GLN   30 - HB2   GLN   30   2.99 +/- 0.66  97.745% * 99.6773% (0.98  10.0   6.42 155.65) =  99.999%  kept
          HN    GLU-  29 - HB2   GLN   30   5.66 +/- 0.76   2.193% *  0.0576% (0.57   1.0   0.02  19.15) =   0.001%
          HN    GLU-  14 - HB2   GLN   30  13.34 +/- 1.50   0.030% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLN   30  13.55 +/- 0.92   0.020% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLN   30  15.74 +/- 1.14   0.006% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLN   30  17.74 +/- 2.80   0.007% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2449 (8.32, 1.89, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.81, residual support = 155.6:
      O   HN    GLN   30 - HB3   GLN   30   2.61 +/- 0.57  98.375% * 99.4549% (0.65  10.0   6.81 155.65) =  99.999%  kept
          HN    GLU-  29 - HB3   GLN   30   5.24 +/- 0.65   1.584% *  0.0304% (0.20   1.0   0.02  19.15) =   0.000%
          HN    LYS+  99 - HB3   GLN   30  13.63 +/- 1.34   0.018% *  0.1334% (0.87   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLN   30  13.87 +/- 1.46   0.014% *  0.1524% (0.99   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLN   30  17.97 +/- 3.20   0.004% *  0.1419% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLN   30  15.26 +/- 0.87   0.004% *  0.0870% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.642, support = 7.09, residual support = 154.2:
          HN    GLN   30 - HG2   GLN   30   3.46 +/- 0.21  94.647% * 82.5994% (0.65   7.12 155.65) =  98.919%  kept
          HN    GLU-  29 - HG2   GLN   30   5.59 +/- 0.28   5.272% * 16.1993% (0.20   4.56  19.15) =   1.081%  kept
          HN    GLU-  14 - HG2   GLN   30  12.83 +/- 1.52   0.053% *  0.3557% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   GLN   30  15.68 +/- 1.10   0.013% *  0.3113% (0.87   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG2   GLN   30  16.17 +/- 0.72   0.010% *  0.2032% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   GLN   30  18.98 +/- 2.74   0.006% *  0.3312% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.07, residual support = 155.6:
      O   HE21  GLN   30 - HG2   GLN   30   3.73 +/- 0.04  97.603% * 99.6917% (0.87  10.0   4.07 155.65) =  99.997%  kept
          HD1   TRP   27 - HG2   GLN   30   7.62 +/- 0.96   2.388% *  0.1147% (1.00   1.0   0.02   0.02) =   0.003%
          QD    PHE   59 - HG2   GLN   30  18.46 +/- 1.55   0.008% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG2   GLN   30  26.14 +/- 2.25   0.001% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 2.74, residual support = 155.6:
      O   HE21  GLN   30 - HG3   GLN   30   4.15 +/- 0.01  80.930% * 99.5784% (0.87  10.0   2.74 155.65) =  99.996%  kept
          HD1   TRP   27 - HG3   GLN   30   8.61 +/- 0.95   1.560% *  0.1145% (1.00   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HB2   PRO   93   6.71 +/- 1.82  13.206% *  0.0089% (0.08   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HB2   LYS+ 111   8.46 +/- 1.00   1.418% *  0.0230% (0.20   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   PRO   93  10.36 +/- 1.91   2.762% *  0.0061% (0.05   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   LYS+ 111  14.51 +/- 2.04   0.083% *  0.0158% (0.14   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HG3   GLN   30  19.50 +/- 1.53   0.008% *  0.1145% (1.00   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  17.28 +/- 0.69   0.016% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  18.40 +/- 0.95   0.012% *  0.0078% (0.07   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG3   GLN   30  27.64 +/- 2.24   0.001% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  24.34 +/- 1.33   0.002% *  0.0230% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  25.17 +/- 1.54   0.002% *  0.0200% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.49 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.644, support = 5.95, residual support = 154.6:
          HN    GLN   30 - HG3   GLN   30   3.23 +/- 0.30  95.624% * 83.7530% (0.65   5.97 155.65) =  99.245%  kept
          HN    GLU-  29 - HG3   GLN   30   5.42 +/- 0.39   4.261% * 14.2878% (0.20   3.33  19.15) =   0.754%  kept
          HN    GLU-  14 - HG3   GLN   30  12.35 +/- 1.54   0.062% *  0.4299% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   GLN   30  15.96 +/- 1.13   0.009% *  0.3762% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   GLN   30  19.62 +/- 2.89   0.003% *  0.4004% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   GLN   30  17.29 +/- 0.83   0.005% *  0.2456% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   LYS+ 111  16.29 +/- 1.32   0.007% *  0.0805% (0.19   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   PRO   93  15.56 +/- 2.00   0.011% *  0.0312% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   PRO   93  15.74 +/- 0.42   0.008% *  0.0191% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   LYS+ 111  20.85 +/- 1.80   0.002% *  0.0756% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  19.05 +/- 0.79   0.002% *  0.0293% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   LYS+ 111  21.17 +/- 1.15   0.001% *  0.0494% (0.11   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  21.09 +/- 0.64   0.001% *  0.0219% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  25.14 +/- 1.01   0.001% *  0.0335% (0.08   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  27.97 +/- 1.35   0.000% *  0.0564% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  31.29 +/- 1.11   0.000% *  0.0864% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  22.42 +/- 0.69   0.001% *  0.0067% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  29.47 +/- 1.36   0.000% *  0.0173% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.17, support = 5.02, residual support = 43.7:
          HG    LEU   31 - HB3   GLN   30   4.41 +/- 0.52  52.140% * 74.0034% (0.15  1.00   5.83  51.23) =  83.981%  kept
          QD2   LEU   73 - HB3   GLN   30   4.47 +/- 0.89  47.848% * 15.3804% (0.25  1.00   0.75   4.25) =  16.017%  kept
        T QD1   ILE   56 - HB3   GLN   30  18.66 +/- 0.91   0.007% *  8.0063% (0.49 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB3   GLN   30  21.72 +/- 1.59   0.003% *  1.6123% (0.98  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HB3   GLN   30  21.61 +/- 2.00   0.003% *  0.9976% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.66, residual support = 4.25:
          QD1   LEU   73 - HB3   GLN   30   2.96 +/- 0.41  99.229% * 96.3211% (0.87   2.66   4.25) =  99.995%  kept
          QD2   LEU   80 - HB3   GLN   30   7.71 +/- 0.79   0.512% *  0.8263% (0.99   0.02   0.02) =   0.004%
          QG1   VAL   83 - HB3   GLN   30   9.21 +/- 1.11   0.202% *  0.3427% (0.41   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   GLN   30  13.42 +/- 1.39   0.022% *  0.7231% (0.87   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   GLN   30  13.76 +/- 1.07   0.016% *  0.7231% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   GLN   30  13.75 +/- 1.34   0.017% *  0.2318% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   GLN   30  19.58 +/- 1.96   0.002% *  0.8318% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.723, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  21.38 +/- 1.53  24.437% * 54.6388% (0.97   0.02   0.02) =  50.453%  kept
          HG3   LYS+ 121 - HB2   GLN   30  21.60 +/- 1.81  23.348% * 36.6255% (0.65   0.02   0.02) =  32.312%  kept
          QD1   ILE   56 - HB2   GLN   30  18.68 +/- 0.88  52.215% *  8.7356% (0.15   0.02   0.02) =  17.235%  kept
    Distance limit 3.40 A violated in 20 structures by 13.32 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.37, residual support = 4.25:
          QD1   LEU   73 - HB2   GLN   30   2.97 +/- 0.52  99.011% * 93.1103% (0.87   1.38   4.25) =  99.987%  kept
          QD2   LEU   80 - HB2   GLN   30   8.09 +/- 0.96   0.639% *  1.5474% (0.99   0.02   0.02) =   0.011%
          QG1   VAL   83 - HB2   GLN   30   9.67 +/- 1.40   0.290% *  0.6419% (0.41   0.02   0.02) =   0.002%
          QD1   LEU  104 - HB2   GLN   30  13.28 +/- 1.23   0.022% *  1.3543% (0.87   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   GLN   30  13.70 +/- 1.00   0.017% *  1.3543% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   GLN   30  13.63 +/- 1.15   0.018% *  0.4341% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   GLN   30  19.52 +/- 1.71   0.003% *  1.5578% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.63, residual support = 155.6:
      O T HA    GLN   30 - HG3   GLN   30   2.24 +/- 0.30  98.975% * 98.6729% (0.65  10.0 10.00   4.63 155.65) = 100.000%  kept
        T HD3   PRO   52 - HB2   PRO   93   8.76 +/- 1.31   0.042% *  0.0863% (0.06   1.0 10.00   0.02   1.02) =   0.000%
          HB    THR   39 - HG3   GLN   30   9.83 +/- 0.87   0.021% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   PRO   93   6.25 +/- 1.95   0.760% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   GLN   30   9.97 +/- 1.10   0.018% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111   8.10 +/- 1.47   0.091% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   GLN   30  13.11 +/- 1.62   0.004% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93   9.18 +/- 0.48   0.031% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   GLN   30  16.56 +/- 1.59   0.001% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93   9.65 +/- 2.02   0.048% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   LYS+ 111  13.92 +/- 1.53   0.003% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  14.33 +/- 1.10   0.002% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG3   GLN   30  19.63 +/- 0.57   0.000% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  13.90 +/- 0.66   0.002% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  21.93 +/- 0.66   0.000% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  26.36 +/- 0.91   0.000% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  28.61 +/- 1.38   0.000% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  22.28 +/- 1.55   0.000% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  22.70 +/- 1.00   0.000% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  19.19 +/- 0.65   0.000% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  25.87 +/- 1.05   0.000% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  22.24 +/- 0.97   0.000% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  26.84 +/- 2.02   0.000% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  24.37 +/- 0.75   0.000% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  29.61 +/- 0.99   0.000% *  0.0245% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  25.62 +/- 0.74   0.000% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  30.53 +/- 1.83   0.000% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.7, residual support = 14.1:
          HZ2   TRP   27 - QD1   LEU   31   2.99 +/- 0.90  99.916% * 99.7914% (0.87   1.70  14.11) = 100.000%  kept
          HZ    PHE   72 - QD1   LEU   31  13.24 +/- 1.11   0.084% *  0.2086% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 1 structures by 0.14 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.85, support = 0.705, residual support = 10.1:
          HD21  ASN   28 - QD1   LEU   31   4.63 +/- 0.79  51.738% * 49.9629% (0.92   0.67  17.20) =  53.773%  kept
          HZ2   TRP   87 - QD1   LEU   31   5.24 +/- 2.22  47.761% * 46.5224% (0.76   0.75   1.82) =  46.222%  kept
          HN    ALA   84 - QD1   LEU   31  10.59 +/- 0.65   0.289% *  0.4513% (0.28   0.02   0.02) =   0.003%
          QE    PHE   60 - QD1   LEU   31  12.02 +/- 1.19   0.174% *  0.3213% (0.20   0.02   0.02) =   0.001%
          HN    LEU   63 - QD1   LEU   31  16.34 +/- 0.75   0.021% *  1.2406% (0.76   0.02   0.02) =   0.001%
          HN    ILE   56 - QD1   LEU   31  19.84 +/- 1.10   0.007% *  1.0501% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   31  18.82 +/- 1.47   0.010% *  0.4513% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.808, support = 0.02, residual support = 0.02:
          HN    ALA   88 - QD1   LEU   31  11.26 +/- 0.79  51.190% * 52.6698% (0.97   0.02   0.02) =  74.551%  kept
          HN    ASP- 105 - QD1   LEU   31  11.40 +/- 0.89  47.650% * 18.6164% (0.34   0.02   0.02) =  24.528%  kept
          HN    PHE   55 - QD1   LEU   31  21.21 +/- 1.01   1.159% * 28.7138% (0.53   0.02   0.02) =   0.921%  kept
    Distance limit 4.13 A violated in 20 structures by 5.85 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.58, residual support = 231.8:
          HN    LEU   31 - HG    LEU   31   2.53 +/- 0.56  99.948% * 99.1283% (0.67   7.58 231.76) = 100.000%  kept
          HN    LYS+  38 - HG    LEU   31  10.84 +/- 0.54   0.051% *  0.2025% (0.52   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG    LEU   31  21.24 +/- 1.04   0.001% *  0.2808% (0.72   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG    LEU   31  25.13 +/- 1.38   0.000% *  0.3103% (0.79   0.02   0.02) =   0.000%
          HN    PHE   55 - HG    LEU   31  25.69 +/- 1.24   0.000% *  0.0781% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.04, residual support = 231.8:
      O   HN    LEU   31 - HB3   LEU   31   3.53 +/- 0.01  99.550% * 99.3670% (0.34  10.0   7.04 231.76) =  99.999%  kept
          HN    LYS+  38 - HB3   LEU   31   8.75 +/- 0.38   0.447% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HB3   LEU   31  22.29 +/- 0.94   0.002% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB3   LEU   31  27.05 +/- 1.28   0.001% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2464 (8.07, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.769, support = 5.62, residual support = 42.7:
          HN    GLN   32 - HB3   LEU   31   3.89 +/- 0.18  77.264% * 79.5866% (0.76   5.93  45.51) =  93.169%  kept
          HN    ALA   34 - HB3   LEU   31   4.84 +/- 0.24  22.707% * 19.8555% (0.84   1.35   4.85) =   6.831%  kept
          HN    LEU   80 - HB3   LEU   31  16.27 +/- 0.56   0.015% *  0.2550% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   LEU   31  16.64 +/- 1.02   0.013% *  0.1318% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   31  25.45 +/- 1.07   0.001% *  0.1710% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 2.56, residual support = 17.2:
        T HA    ASN   28 - HB2   LEU   31   3.46 +/- 0.25  97.357% * 98.0556% (0.73 10.00   2.56  17.20) =  99.986%  kept
        T HA    ALA   34 - HB2   LEU   31   7.56 +/- 0.18   0.956% *  1.2110% (0.90 10.00   0.02   4.85) =   0.012%
          HA1   GLY  101 - HB2   LEU   31  10.11 +/- 2.89   1.194% *  0.1338% (0.99  1.00   0.02   0.02) =   0.002%
          HA    THR   26 - HB2   LEU   31   8.41 +/- 0.19   0.489% *  0.1032% (0.76  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB2   LEU   31  23.57 +/- 1.43   0.001% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - HB2   LEU   31  27.43 +/- 2.01   0.000% *  0.2084% (0.15 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   LEU   31  26.11 +/- 1.38   0.001% *  0.1338% (0.99  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  24.43 +/- 1.33   0.001% *  0.0208% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   LEU   31  27.69 +/- 1.77   0.000% *  0.0301% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 7.04, residual support = 231.8:
      O   HN    LEU   31 - HB2   LEU   31   2.57 +/- 0.12  99.962% * 99.3670% (0.34  10.0   7.04 231.76) = 100.000%  kept
          HN    LYS+  38 - HB2   LEU   31   9.67 +/- 0.26   0.038% *  0.2907% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   LEU   31  23.03 +/- 0.90   0.000% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   LEU   31  27.32 +/- 1.34   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 0.765, support = 5.9, residual support = 45.3:
          HN    GLN   32 - HB2   LEU   31   2.78 +/- 0.19  97.596% * 79.5860% (0.76   5.93  45.51) =  99.391%  kept
          HN    ALA   34 - HB2   LEU   31   5.24 +/- 0.11   2.398% * 19.8561% (0.84   1.35   4.85) =   0.609%  kept
          HN    LEU   80 - HB2   LEU   31  15.49 +/- 0.58   0.004% *  0.2550% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   LEU   31  16.26 +/- 0.94   0.003% *  0.1318% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   31  25.68 +/- 1.14   0.000% *  0.1710% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 7.04, residual support = 231.8:
      O   HN    LEU   31 - HA    LEU   31   2.78 +/- 0.04  99.777% * 99.3670% (0.34  10.0   7.04 231.76) =  99.999%  kept
          HN    LYS+  38 - HA    LEU   31   7.73 +/- 0.26   0.222% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HA    LEU   31  20.93 +/- 0.83   0.001% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU   31  26.44 +/- 1.24   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 0.78, support = 4.99, residual support = 36.3:
      O   HN    GLN   32 - HA    LEU   31   3.59 +/- 0.03  25.098% * 90.8641% (0.76  10.0   5.93  45.51) =  77.289%  kept
          HN    ALA   34 - HA    LEU   31   2.98 +/- 0.16  74.897% *  8.9471% (0.84   1.0   1.80   4.85) =  22.711%  kept
          HN    LEU   80 - HA    LEU   31  16.27 +/- 0.54   0.003% *  0.0863% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LEU   31  17.68 +/- 0.97   0.002% *  0.0446% (0.38   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  25.02 +/- 0.99   0.000% *  0.0579% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2471 (0.60, 3.61, 58.19 ppm):
    7 chemical-shift based assignments, quality = 0.517, support = 0.0199, residual support = 1.25:
          QD1   LEU   73 - HA    LEU   31   4.99 +/- 0.73  94.724% * 10.4319% (0.49   0.02   1.37) =  91.356%  kept
          QG1   VAL   83 - HA    LEU   31  10.59 +/- 1.14   1.884% * 17.1611% (0.80   0.02   0.02) =   2.988%  kept
          QD2   LEU   80 - HA    LEU   31  10.18 +/- 0.64   1.689% * 18.5904% (0.87   0.02   0.02) =   2.903%  kept
          QD1   LEU  104 - HA    LEU   31  11.26 +/- 1.06   1.211% * 21.2420% (0.99   0.02   0.02) =   2.379%  kept
          QD1   LEU   63 - HA    LEU   31  14.27 +/- 0.98   0.245% * 10.4319% (0.49   0.02   0.02) =   0.236%
          QG2   ILE   89 - HA    LEU   31  14.47 +/- 0.43   0.214% *  4.2413% (0.20   0.02   0.02) =   0.084%
          QD2   LEU  115 - HA    LEU   31  20.03 +/- 1.97   0.032% * 17.9012% (0.84   0.02   0.02) =   0.054%
    Distance limit 3.70 A violated in 14 structures by 1.24 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2472 (7.73, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.525, support = 2.75, residual support = 8.83:
          HD1   TRP   87 - QG2   VAL   83   3.21 +/- 0.49  94.857% * 81.1754% (0.53   2.77   8.84) =  99.317%  kept
          HE3   TRP   87 - QG2   VAL   83   5.92 +/- 0.58   3.383% * 15.0760% (0.45   0.60   8.84) =   0.658%  kept
          HN    TRP   27 - QG2   VAL   83   6.64 +/- 0.30   1.541% *  1.1145% (1.00   0.02   2.34) =   0.022%
          HN    ALA   91 - QG2   VAL   83   9.46 +/- 0.76   0.190% *  0.9309% (0.84   0.02   0.02) =   0.002%
          HN    ALA   61 - QG2   VAL   83  15.89 +/- 0.85   0.009% *  0.8517% (0.76   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   VAL   83  15.78 +/- 0.77   0.009% *  0.6310% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   VAL   83  15.35 +/- 0.82   0.011% *  0.2206% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 1 structures by 0.14 A, kept.
 
    Peak 2473 (6.72, 0.08, 20.84 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - QG2   VAL   83  15.14 +/- 1.30 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.07 A violated in 20 structures by 12.07 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.569, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QG2   VAL   42   8.26 +/- 0.72  50.030% * 30.1124% (0.67   0.02   0.02) =  62.887%  kept
          QD    PHE   59 - QG2   VAL   42   8.66 +/- 1.20  41.300% * 17.5479% (0.39   0.02   0.02) =  30.252%  kept
          HD1   TRP   27 - QG2   VAL   42  11.63 +/- 0.95   7.962% * 17.5479% (0.39   0.02   0.02) =   5.833%  kept
          HH2   TRP   49 - QG2   VAL   42  19.25 +/- 2.02   0.708% * 34.7918% (0.77   0.02   0.02) =   1.028%  kept
    Distance limit 3.25 A violated in 20 structures by 3.99 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.791, support = 0.328, residual support = 1.32:
          QD2   LEU   40 - QG2   VAL   42   3.04 +/- 0.81  68.585% * 65.1594% (0.79  1.00   0.34   1.35) =  97.607%  kept
          QD1   LEU   67 - QG2   VAL   42   4.62 +/- 1.47  23.887% *  3.9117% (0.80  1.00   0.02   0.02) =   2.041%  kept
          QD2   LEU   71 - QG2   VAL   42   5.79 +/- 1.09   4.746% *  1.9082% (0.39  1.00   0.02   5.24) =   0.198%
          QG2   ILE  103 - QG2   VAL   42   6.69 +/- 0.54   0.844% *  3.8857% (0.79  1.00   0.02   0.02) =   0.072%
        T HB    VAL   75 - QG2   VAL   42  10.00 +/- 0.58   0.086% * 19.0824% (0.39 10.00   0.02   0.02) =   0.036%
          QD1   ILE  103 - QG2   VAL   42   7.05 +/- 0.68   0.678% *  1.4714% (0.30  1.00   0.02   0.02) =   0.022%
          QG2   ILE  119 - QG2   VAL   42   7.66 +/- 1.56   1.129% *  0.8728% (0.18  1.00   0.02   0.02) =   0.022%
          HG3   LYS+  74 - QG2   VAL   42  11.01 +/- 0.75   0.046% *  3.7085% (0.76  1.00   0.02   0.02) =   0.004%
    Distance limit 2.98 A violated in 0 structures by 0.19 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 = 0.965, support = 3.75, residual support = 13.9:
        T HZ2   TRP   27 - QD2   LEU   31   4.10 +/- 0.95  46.298% * 97.5249% (0.99 10.00   3.83  14.11) =  97.140%  kept
        T HZ2   TRP   27 - QG2   VAL   43   3.86 +/- 0.75  53.702% *  2.4751% (0.07 10.00   0.75   6.14) =   2.860%  kept
    Distance limit 3.23 A violated in 2 structures by 0.32 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.2, residual support = 51.2:
          HE22  GLN   30 - QD2   LEU   31   3.98 +/- 0.12  91.211% * 99.1221% (0.90   3.20  51.23) =  99.995%  kept
          HE22  GLN   30 - QG2   VAL   43   6.03 +/- 0.49   8.537% *  0.0419% (0.06   0.02   0.02) =   0.004%
          HD22  ASN   69 - QD2   LEU   31  12.78 +/- 1.73   0.130% *  0.4468% (0.65   0.02   0.02) =   0.001%
          HN    TRP   49 - QD2   LEU   31  18.92 +/- 0.45   0.008% *  0.3362% (0.49   0.02   0.02) =   0.000%
          HD22  ASN   69 - QG2   VAL   43  13.73 +/- 1.29   0.066% *  0.0302% (0.04   0.02   0.02) =   0.000%
          HN    TRP   49 - QG2   VAL   43  14.06 +/- 0.58   0.049% *  0.0228% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 60.5:
      O T HA    VAL   43 - QG2   VAL   43   2.21 +/- 0.25  99.488% * 99.3737% (0.50  10.0 10.00   3.00  60.52) =  99.999%  kept
        T HA    VAL   43 - QD2   LEU   31   5.71 +/- 0.61   0.478% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HA    HIS   22 - QG2   VAL   43   9.75 +/- 0.73   0.015% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - QD2   LEU   31  10.30 +/- 0.30   0.012% *  0.0389% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG2   VAL   43  13.60 +/- 0.66   0.003% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QD2   LEU   31  12.47 +/- 1.22   0.004% *  0.0371% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2479 (6.34, 0.06, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.168, support = 1.74, residual support = 13.5:
        T HZ3   TRP   27 - QD2   LEU   31   2.53 +/- 1.27  82.877% * 73.0280% (0.14 10.00   1.73  14.11) =  92.910%  kept
          HZ3   TRP   27 - QG2   VAL   43   3.37 +/- 0.67  17.123% * 26.9720% (0.50  1.00   1.83   6.14) =   7.090%  kept
    Distance limit 2.92 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 = 0.916, support = 4.16, residual support = 43.7:
          HN    GLN   32 - QG    GLN   32   3.26 +/- 0.67  94.059% * 85.2568% (0.92   4.18  44.20) =  98.963%  kept
          HN    ALA   34 - QG    GLN   32   5.65 +/- 0.21   5.930% * 14.1708% (0.22   2.88   0.11) =   1.037%  kept
          HN    SER   85 - QG    GLN   32  18.38 +/- 1.34   0.004% *  0.4267% (0.97   0.02   0.02) =   0.000%
          HN    LEU   80 - QG    GLN   32  17.09 +/- 1.21   0.005% *  0.0682% (0.15   0.02   0.02) =   0.000%
          HN    THR   94 - QG    GLN   32  20.93 +/- 0.96   0.002% *  0.0774% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 4.18, residual support = 44.2:
      O   HN    GLN   32 - QB    GLN   32   2.19 +/- 0.12  99.116% * 99.8359% (0.92  10.0   4.18  44.20) = 100.000%  kept
          HN    ALA   34 - QB    GLN   32   4.84 +/- 0.05   0.883% *  0.0241% (0.22   1.0   0.02   0.11) =   0.000%
          HN    SER   85 - QB    GLN   32  18.10 +/- 0.89   0.000% *  0.1044% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  16.28 +/- 0.53   0.001% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  20.23 +/- 0.57   0.000% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2484 (8.32, 4.00, 59.42 ppm):
    18 chemical-shift based assignments, quality = 0.218, support = 5.68, residual support = 65.6:
      O   HN    GLU-  29 - HA    GLU-  29   2.71 +/- 0.01  81.264% * 27.4129% (0.14  10.0   5.86  92.21) =  63.600%  kept
      O   HN    GLN   30 - HA    GLU-  29   3.49 +/- 0.02  17.927% * 71.1184% (0.36  10.0   5.37  19.15) =  36.398%  kept
          HN    GLN   30 - HA    GLN   32   6.68 +/- 0.19   0.374% *  0.1093% (0.55   1.0   0.02   1.61) =   0.001%
          HN    GLN   30 - HA    LYS+  33   7.67 +/- 0.31   0.165% *  0.1125% (0.57   1.0   0.02   0.17) =   0.001%
          HN    GLU-  29 - HA    GLN   32   7.48 +/- 0.26   0.190% *  0.0421% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    LYS+  33   9.29 +/- 0.45   0.053% *  0.0433% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  13.47 +/- 1.85   0.009% *  0.1296% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  13.47 +/- 0.99   0.006% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  14.65 +/- 0.82   0.004% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  17.46 +/- 1.70   0.001% *  0.1260% (0.63   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  17.08 +/- 1.51   0.002% *  0.0820% (0.41   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  16.81 +/- 1.06   0.002% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  16.75 +/- 0.71   0.002% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  18.41 +/- 0.95   0.001% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  20.59 +/- 3.24   0.001% *  0.1125% (0.57   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  21.11 +/- 3.72   0.001% *  0.1093% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  21.65 +/- 0.99   0.000% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  22.97 +/- 3.27   0.000% *  0.0711% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2485 (8.04, 4.00, 59.42 ppm):
    12 chemical-shift based assignments, quality = 0.388, support = 4.12, residual support = 44.1:
      O   HN    GLN   32 - HA    GLN   32   2.72 +/- 0.02  79.601% * 98.5609% (0.39  10.0   4.13  44.20) =  99.852%  kept
          HN    GLN   32 - HA    GLU-  29   3.47 +/- 0.11  18.901% *  0.6079% (0.25   1.0   0.19   0.02) =   0.146%
          HN    GLN   32 - HA    LYS+  33   5.29 +/- 0.05   1.494% *  0.1014% (0.40   1.0   0.02  11.38) =   0.002%
          HN    SER   85 - HA    GLU-  29  18.10 +/- 0.66   0.001% *  0.1046% (0.41   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLN   32  20.26 +/- 0.89   0.000% *  0.1607% (0.63   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  23.27 +/- 0.93   0.000% *  0.1654% (0.65   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  22.23 +/- 0.59   0.000% *  0.0847% (0.33   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  21.16 +/- 0.53   0.000% *  0.0551% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  23.35 +/- 0.54   0.000% *  0.0872% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  17.87 +/- 0.48   0.001% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  21.61 +/- 0.53   0.000% *  0.0269% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  23.02 +/- 0.54   0.000% *  0.0276% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 0.653, support = 5.51, residual support = 140.8:
      O   HN    LYS+  33 - HA    LYS+  33   2.86 +/- 0.01  76.005% * 79.3011% (0.69  10.0   5.60 149.87) =  93.438%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.55 +/- 0.02  20.751% * 20.3940% (0.18  10.0   4.21  11.38) =   6.561%  kept
          HN    LYS+  33 - HA    GLU-  29   5.03 +/- 0.50   3.213% *  0.0221% (0.19   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLU-  29  11.35 +/- 0.18   0.020% *  0.0289% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    LYS+  33  14.28 +/- 0.43   0.005% *  0.1035% (0.90   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLN   32  14.53 +/- 0.34   0.004% *  0.0266% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  26.06 +/- 1.34   0.000% *  0.0518% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  23.52 +/- 0.62   0.000% *  0.0288% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  19.57 +/- 0.61   0.001% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  20.83 +/- 0.64   0.001% *  0.0074% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  26.15 +/- 1.45   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  27.23 +/- 1.23   0.000% *  0.0145% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 0.325, support = 0.02, residual support = 0.02:
          HE3   TRP   27 - QB    LYS+  33   8.49 +/- 1.09  94.387% *  5.4417% (0.14   0.02   0.02) =  73.933%  kept
          QD    PHE   60 - QB    LYS+  33  15.72 +/- 0.97   3.248% * 37.1179% (0.92   0.02   0.02) =  17.356%  kept
          HN    LYS+  81 - QB    LYS+  33  19.18 +/- 0.84   0.836% * 39.4132% (0.98   0.02   0.02) =   4.744%  kept
          HN    LYS+  66 - QB    LYS+  33  17.94 +/- 1.01   1.529% * 18.0271% (0.45   0.02   0.02) =   3.967%  kept
    Distance limit 3.57 A violated in 20 structures by 4.82 A, eliminated.
    Peak unassigned.
 
    Peak 2488 (7.95, 1.86, 32.27 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.74, residual support = 149.9:
      O   HN    LYS+  33 - QB    LYS+  33   2.27 +/- 0.30  99.988% * 99.9232% (0.97  10.0   5.74 149.87) = 100.000%  kept
          HN    CYS   21 - QB    LYS+  33  10.75 +/- 0.43   0.012% *  0.0586% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    LYS+  33  22.17 +/- 1.10   0.000% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 0.913, support = 5.86, residual support = 43.0:
          HN    ALA   34 - QB    LYS+  33   2.96 +/- 0.17  92.630% * 68.0030% (0.92   5.93  44.16) =  96.440%  kept
          HN    GLN   32 - QB    LYS+  33   4.67 +/- 0.32   7.366% * 31.5699% (0.65   3.93  11.38) =   3.560%  kept
          HN    LEU   80 - QB    LYS+  33  16.99 +/- 0.65   0.003% *  0.2074% (0.84   0.02   0.02) =   0.000%
          HN    SER   85 - QB    LYS+  33  19.82 +/- 0.89   0.001% *  0.0691% (0.28   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    LYS+  33  25.16 +/- 0.85   0.000% *  0.1506% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2490 (8.63, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.424, support = 0.02, residual support = 0.02:
          HN    GLY   16 - QB    LYS+  33  11.84 +/- 1.40  76.866% *  8.4971% (0.20   0.02   0.02) =  50.730%  kept
          HN    ILE  103 - QB    LYS+  33  15.87 +/- 0.88  15.619% * 24.3087% (0.57   0.02   0.02) =  29.490%  kept
          HN    SER   82 - QB    LYS+  33  19.14 +/- 1.18   5.153% * 34.3809% (0.80   0.02   0.02) =  13.760%  kept
          HN    GLN   90 - QB    LYS+  33  21.41 +/- 0.80   2.362% * 32.8133% (0.76   0.02   0.02) =   6.019%  kept
    Distance limit 3.77 A violated in 20 structures by 7.49 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.523, support = 5.38, residual support = 148.9:
      O   HA    LYS+  33 - HG2   LYS+  33   3.76 +/- 0.35  76.735% * 94.2496% (0.53  10.0   5.39 149.87) =  99.302%  kept
          HB2   SER   82 - QG    LYS+  81   5.44 +/- 0.56  11.794% *  4.1826% (0.13   1.0   3.51  11.89) =   0.677%  kept
          HB2   SER   37 - HG2   LYS+  33   6.28 +/- 1.43   8.873% *  0.1496% (0.84   1.0   0.02   0.02) =   0.018%
          HA    GLU-  29 - HG2   LYS+  33   7.35 +/- 1.24   2.134% *  0.0672% (0.38   1.0   0.02   0.02) =   0.002%
          HA    VAL   70 - HG2   LYS+  33  10.82 +/- 2.04   0.253% *  0.1496% (0.84   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   LYS+  33  12.83 +/- 1.22   0.063% *  0.0611% (0.34   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+  33  14.48 +/- 2.09   0.044% *  0.0872% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+ 106  13.82 +/- 1.05   0.039% *  0.0907% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   LYS+ 106  16.08 +/- 1.26   0.015% *  0.0907% (0.51   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  17.16 +/- 0.61   0.009% *  0.0322% (0.18   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  18.26 +/- 1.24   0.007% *  0.0371% (0.21   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  17.21 +/- 0.43   0.009% *  0.0293% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   LYS+ 106  21.56 +/- 0.94   0.002% *  0.0907% (0.51   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+ 106  21.11 +/- 1.75   0.003% *  0.0529% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+  33  21.53 +/- 1.94   0.003% *  0.0498% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    LYS+  81  22.64 +/- 0.45   0.002% *  0.0716% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+  33  26.43 +/- 2.17   0.001% *  0.1496% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  22.50 +/- 1.13   0.002% *  0.0572% (0.32   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  20.66 +/- 1.48   0.003% *  0.0302% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  21.99 +/- 1.26   0.002% *  0.0408% (0.23   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  22.26 +/- 0.76   0.002% *  0.0451% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    LYS+  81  24.23 +/- 1.08   0.001% *  0.0716% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  25.03 +/- 0.84   0.001% *  0.0716% (0.40   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  23.44 +/- 0.46   0.001% *  0.0417% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 4.68, residual support = 123.0:
        T QD1   ILE   56 - QG2   ILE   56   2.84 +/- 0.54  99.876% * 99.6085% (0.98 10.00   4.68 123.04) = 100.000%  kept
          QD2   LEU   73 - QG2   ILE   56  11.19 +/- 1.45   0.060% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG2   ILE   56  14.41 +/- 1.62   0.013% *  0.1568% (0.15 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   ILE   56  13.58 +/- 1.03   0.012% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG2   ILE   56  11.53 +/- 1.00   0.035% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG2   ILE   56  17.93 +/- 2.12   0.004% *  0.0657% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.33 A, kept.
 
    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   3.24 +/- 1.09  98.619% * 49.9558% (0.99 10.00   0.02   0.02) =  99.942%  kept
          HA    GLU- 114 - QG2   ILE   56   9.42 +/- 0.96   1.341% *  1.2568% (0.25  1.00   0.02   0.02) =   0.034%
        T HA    ILE   19 - QG2   ILE   56  14.63 +/- 1.50   0.028% * 42.0992% (0.84 10.00   0.02   0.02) =   0.024%
          HA    THR   26 - QG2   ILE   56  19.91 +/- 1.79   0.004% *  2.8535% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - QG2   ILE   56  20.52 +/- 1.88   0.003% *  3.0570% (0.61  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   ILE   56  20.08 +/- 2.06   0.005% *  0.7777% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 3 structures by 0.44 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 = 0.835, support = 2.87, residual support = 14.0:
          HA    PHE   55 - QG2   ILE   56   5.28 +/- 0.73  20.679% * 87.0591% (0.92   3.87  18.11) =  68.095%  kept
          HA    ALA  110 - QG2   ILE   56   4.53 +/- 2.30  71.186% * 11.8373% (0.65   0.75   5.34) =  31.873%  kept
          HA    THR   46 - QG2   ILE   56   6.23 +/- 1.78   7.847% *  0.0966% (0.20   0.02   0.02) =   0.029%
          HA    GLN   90 - QG2   ILE   56  11.21 +/- 1.72   0.138% *  0.3729% (0.76   0.02   0.02) =   0.002%
          HA    VAL   42 - QG2   ILE   56  12.14 +/- 1.87   0.095% *  0.3907% (0.80   0.02   0.02) =   0.001%
          HA    GLN   17 - QG2   ILE   56  12.91 +/- 1.22   0.053% *  0.1217% (0.25   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   ILE   56  23.91 +/- 1.76   0.001% *  0.1217% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.38 A, kept.
 
    Peak 2495 (6.89, 1.27, 17.92 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG2   ILE   56  10.20 +/- 0.86 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 2.89 A violated in 20 structures by 7.31 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.34, residual support = 33.8:
          HN    ALA   57 - QG2   ILE   56   3.18 +/- 0.90  91.053% * 99.1190% (0.92   5.34  33.82) =  99.966%  kept
          HE21  GLN  116 - QG2   ILE   56  10.03 +/- 2.80   8.749% *  0.3490% (0.87   0.02   0.02) =   0.034%
          HN    ALA  120 - QG2   ILE   56  10.26 +/- 1.09   0.161% *  0.1959% (0.49   0.02   0.02) =   0.000%
          HE21  GLN   90 - QG2   ILE   56  13.54 +/- 1.90   0.038% *  0.3361% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 2 structures by 0.27 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 6.59, residual support = 123.0:
          HN    ILE   56 - QG2   ILE   56   2.78 +/- 0.39  83.981% * 98.5176% (0.65   6.59 123.04) =  99.980%  kept
          QE    PHE   60 - QG2   ILE   56   5.61 +/- 2.07  14.251% *  0.0915% (0.20   0.02   2.34) =   0.016%
          HN    LYS+ 111 - QG2   ILE   56   5.96 +/- 1.27   1.355% *  0.1286% (0.28   0.02   2.22) =   0.002%
          HN    LEU   63 - QG2   ILE   56   7.54 +/- 0.89   0.395% *  0.3534% (0.76   0.02   0.02) =   0.002%
          HZ2   TRP   87 - QG2   ILE   56  15.18 +/- 2.37   0.011% *  0.3534% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - QG2   ILE   56  18.18 +/- 2.04   0.002% *  0.4269% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - QG2   ILE   56  14.78 +/- 1.83   0.005% *  0.1286% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 2.72, residual support = 7.95:
        T HB    THR   39 - QB    ALA   34   3.64 +/- 0.50  74.270% * 91.7187% (0.80 10.00   2.74   8.06) =  98.535%  kept
          HB3   SER   37 - QB    ALA   34   4.95 +/- 0.44  13.651% *  4.0450% (0.69  1.00   1.04   0.11) =   0.799%  kept
          HA    GLN   30 - QB    ALA   34   5.31 +/- 0.56  11.955% *  3.8503% (0.44  1.00   1.55   0.44) =   0.666%  kept
          QB    SER   13 - QB    ALA   34  12.12 +/- 1.53   0.091% *  0.0944% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   34  16.30 +/- 1.37   0.012% *  0.1014% (0.89  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QB    ALA   34  16.69 +/- 0.43   0.008% *  0.0782% (0.69  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   34  16.52 +/- 0.87   0.009% *  0.0384% (0.34  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   34  23.79 +/- 0.50   0.001% *  0.0579% (0.51  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QB    ALA   34  20.51 +/- 1.26   0.002% *  0.0158% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 0.75, residual support = 4.85:
          HA    LEU   31 - QB    ALA   34   2.33 +/- 0.22 100.000% *100.0000% (0.65   0.75   4.85) = 100.000%  kept
    Distance limit 3.21 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 = 9.35:
        T QG1   VAL   41 - QB    ALA   34   1.97 +/- 0.29  98.592% * 98.5777% (0.75 10.00   2.96   9.35) =  99.999%  kept
          HG    LEU   31 - QB    ALA   34   5.03 +/- 0.52   0.925% *  0.1089% (0.83  1.00   0.02   4.85) =   0.001%
          QD2   LEU   73 - QB    ALA   34   5.74 +/- 0.67   0.267% *  0.0945% (0.72  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QB    ALA   34   5.95 +/- 0.65   0.208% *  0.0763% (0.58  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QB    ALA   34  10.72 +/- 0.48   0.006% *  0.4852% (0.37 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   56 - QB    ALA   34  16.33 +/- 0.86   0.000% *  0.6209% (0.47 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QB    ALA   34  13.77 +/- 0.51   0.001% *  0.0364% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 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 = 3.32, residual support = 18.8:
          HN    ASN   35 - QB    ALA   34   2.90 +/- 0.05  99.944% * 98.6041% (0.62   3.32  18.77) = 100.000%  kept
          HN    PHE   97 - QB    ALA   34  10.34 +/- 0.41   0.050% *  0.2668% (0.28   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    ALA   34  16.05 +/- 2.14   0.005% *  0.8624% (0.89   0.02   0.02) =   0.000%
          HN    LEU  115 - QB    ALA   34  20.11 +/- 1.02   0.001% *  0.2668% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 3.74, residual support = 25.7:
      O   HN    ALA   34 - QB    ALA   34   2.06 +/- 0.08  99.995% * 99.6936% (0.58  10.0   3.74  25.66) = 100.000%  kept
          HN    THR   26 - QB    ALA   34  11.15 +/- 0.38   0.004% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    ALA   34  15.59 +/- 0.52   0.001% *  0.1178% (0.69   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  21.64 +/- 0.74   0.000% *  0.1458% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 0.866, support = 3.54, residual support = 25.7:
      O   HN    ALA   34 - HA    ALA   34   2.76 +/- 0.02  99.599% * 99.6949% (0.87  10.0   3.54  25.66) = 100.000%  kept
          HN    GLN   32 - HA    ALA   34   6.93 +/- 0.06   0.400% *  0.0287% (0.25   1.0   0.02   0.11) =   0.000%
          HN    LEU   80 - HA    ALA   34  20.45 +/- 0.62   0.001% *  0.1031% (0.89   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  27.51 +/- 0.84   0.000% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  24.81 +/- 2.21   0.000% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  27.25 +/- 1.05   0.000% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  32.70 +/- 1.22   0.000% *  0.0237% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  28.35 +/- 2.11   0.000% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.881, support = 2.64, residual support = 7.23:
          HB    THR   39 - HA    ALA   34   3.00 +/- 0.42  64.408% * 79.8376% (0.88   2.88   8.06) =  89.544%  kept
          HB3   SER   37 - HA    ALA   34   3.45 +/- 0.55  34.851% * 17.2268% (0.89   0.61   0.11) =  10.455%  kept
          HA    GLN   30 - HA    ALA   34   6.92 +/- 0.68   0.710% *  0.0991% (0.16   0.02   0.44) =   0.001%
          QB    SER   13 - HA    ALA   34  13.03 +/- 2.12   0.020% *  0.5460% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA  124  14.14 +/- 0.40   0.006% *  0.0993% (0.16   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA   34  21.67 +/- 1.67   0.001% *  0.4108% (0.65   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA   34  22.21 +/- 0.54   0.000% *  0.5645% (0.89   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA   34  21.14 +/- 0.99   0.001% *  0.4323% (0.69   0.02   0.02) =   0.000%
          HB    THR   39 - HA    ALA  124  20.19 +/- 2.36   0.001% *  0.1273% (0.20   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ALA  124  22.03 +/- 2.53   0.001% *  0.1253% (0.20   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ALA  124  23.42 +/- 2.48   0.000% *  0.1296% (0.21   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA  124  27.81 +/- 1.06   0.000% *  0.1296% (0.21   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA   34  30.22 +/- 0.55   0.000% *  0.1259% (0.20   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ALA  124  27.26 +/- 2.13   0.000% *  0.0227% (0.04   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA  124  35.78 +/- 1.18   0.000% *  0.0943% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA  124  30.36 +/- 1.25   0.000% *  0.0289% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 4.02, residual support = 55.3:
      O T HA    ASN   35 - HB2   ASN   35   2.72 +/- 0.04  99.895% * 97.5620% (0.90  10.0 10.00   4.02  55.35) = 100.000%  kept
        T HA    LEU   40 - HB2   ASN   35   9.72 +/- 0.58   0.051% *  0.7037% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   35  10.55 +/- 1.00   0.035% *  0.0831% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   ASN   28  12.99 +/- 0.38   0.009% *  0.3035% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   35  17.39 +/- 1.10   0.002% *  0.4877% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   ASN   28  15.79 +/- 0.48   0.003% *  0.2189% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   28  18.40 +/- 0.86   0.001% *  0.1517% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   35  19.02 +/- 2.39   0.001% *  0.0488% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   28  16.75 +/- 0.86   0.002% *  0.0259% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   35  25.76 +/- 2.52   0.000% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   28  20.90 +/- 1.88   0.001% *  0.0152% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  29.79 +/- 1.97   0.000% *  0.1004% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  28.84 +/- 1.29   0.000% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  27.39 +/- 1.40   0.000% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  29.56 +/- 1.97   0.000% *  0.0332% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  27.00 +/- 1.00   0.000% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  32.28 +/- 1.20   0.000% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  32.33 +/- 0.79   0.000% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2506 (8.35, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 5.84, residual support = 55.3:
      O   HN    ASN   35 - HB2   ASN   35   2.54 +/- 0.51  99.940% * 99.6071% (0.57  10.0   5.84  55.35) = 100.000%  kept
          HN    LYS+  99 - HB2   ASN   35  11.66 +/- 1.26   0.015% *  0.0996% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ASN   28  10.63 +/- 0.36   0.037% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   35  18.04 +/- 1.81   0.002% *  0.0600% (0.34   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   35  19.99 +/- 4.14   0.001% *  0.0856% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASN   28  17.08 +/- 1.09   0.002% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   35  21.50 +/- 3.29   0.001% *  0.0308% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   28  19.57 +/- 1.42   0.001% *  0.0187% (0.11   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  23.24 +/- 3.20   0.000% *  0.0266% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  23.69 +/- 2.50   0.000% *  0.0096% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.59, residual support = 55.3:
      O   HD21  ASN   35 - HB2   ASN   35   2.55 +/- 0.47  99.889% * 99.7208% (1.00  10.0   3.59  55.35) = 100.000%  kept
          HD21  ASN   35 - HB2   ASN   28  10.78 +/- 0.87   0.054% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   28   9.77 +/- 0.33   0.053% *  0.0237% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   35  16.55 +/- 0.87   0.002% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  21.26 +/- 0.89   0.000% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  20.20 +/- 2.29   0.001% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  24.32 +/- 1.73   0.000% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  23.19 +/- 0.81   0.000% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  31.14 +/- 1.62   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  26.90 +/- 1.36   0.000% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2509 (3.98, 2.95, 38.12 ppm):
    24 chemical-shift based assignments, quality = 0.935, support = 2.24, residual support = 7.53:
        T HA    GLN   32 - HB2   ASN   35   3.52 +/- 0.62  62.248% * 74.0861% (0.99 10.00   2.10   6.11) =  93.447%  kept
        T HA    GLU-  29 - HB2   ASN   28   3.91 +/- 0.13  33.239% *  7.9314% (0.11 10.00   4.82  33.82) =   5.342%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.57 +/- 0.20   3.597% * 16.5645% (0.22 10.00   1.99   1.35) =   1.207%  kept
        T HA    GLN   32 - HB2   ASN   28   7.90 +/- 0.44   0.528% *  0.2305% (0.31 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  29 - HB2   ASN   35   8.76 +/- 0.58   0.231% *  0.2550% (0.34 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   ASN   28  10.63 +/- 0.53   0.087% *  0.0518% (0.07 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   28  12.56 +/- 1.35   0.035% *  0.0104% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   35  23.40 +/- 1.18   0.001% *  0.3351% (0.45 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  14.03 +/- 0.72   0.015% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  18.00 +/- 0.63   0.003% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   35  18.58 +/- 0.79   0.003% *  0.0281% (0.38  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   28  24.19 +/- 1.22   0.001% *  0.1042% (0.14 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  16.55 +/- 0.52   0.006% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   35  23.65 +/- 1.15   0.001% *  0.0733% (0.98  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   35  21.03 +/- 1.44   0.001% *  0.0281% (0.38  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  20.70 +/- 1.14   0.001% *  0.0281% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  22.16 +/- 1.66   0.001% *  0.0335% (0.45  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   28  21.81 +/- 1.01   0.001% *  0.0194% (0.26  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  29.27 +/- 1.16   0.000% *  0.0624% (0.84  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  22.26 +/- 0.96   0.001% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  25.79 +/- 0.92   0.000% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  31.52 +/- 1.22   0.000% *  0.0733% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  26.97 +/- 1.94   0.000% *  0.0101% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  29.75 +/- 1.41   0.000% *  0.0031% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.83, residual support = 51.6:
          QB    GLU-  36 - HB3   ASN   35   4.00 +/- 0.16  97.299% * 98.6029% (0.99   4.83  51.61) =  99.997%  kept
          HB2   LYS+  38 - HB3   ASN   35   7.56 +/- 0.43   2.220% *  0.0721% (0.18   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HB3   ASN   35  10.53 +/- 0.49   0.327% *  0.3800% (0.92   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HB3   ASN   35  12.00 +/- 0.56   0.151% *  0.2331% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB3   ASN   35  23.45 +/- 1.04   0.003% *  0.3973% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB3   ASN   35  28.48 +/- 0.95   0.001% *  0.3146% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.718, support = 5.12, residual support = 45.3:
          QB    GLU-  36 - HB2   ASN   35   4.89 +/- 0.25  25.390% * 68.7704% (0.99  1.00   5.29  51.61) =  64.634%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.44 +/- 0.50  51.147% * 11.4950% (0.18  1.00   4.97  33.82) =  21.763%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.22 +/- 0.52  21.185% * 17.3361% (0.29  1.00   4.60  33.82) =  13.595%  kept
          HB2   LYS+  38 - HB2   ASN   35   7.67 +/- 0.39   1.699% *  0.0460% (0.18  1.00   0.02   0.02) =   0.003%
          HB3   GLU-  29 - HB2   ASN   35  10.65 +/- 0.54   0.233% *  0.2424% (0.92  1.00   0.02   0.02) =   0.002%
        T HB3   GLU-  79 - HB2   ASN   28  13.51 +/- 1.08   0.062% *  0.7882% (0.30 10.00   0.02   0.02) =   0.002%
          HG3   GLU-  29 - HB2   ASN   35  12.09 +/- 0.53   0.107% *  0.1486% (0.57  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HB2   ASN   28  11.37 +/- 0.56   0.158% *  0.0809% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   ASN   28  20.96 +/- 1.26   0.004% *  0.6241% (0.24 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB2   ASN   35  22.98 +/- 1.14   0.002% *  0.2534% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   ASN   28  17.65 +/- 0.34   0.011% *  0.0143% (0.05  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB2   ASN   35  27.60 +/- 1.03   0.001% *  0.2006% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.554, support = 1.87, residual support = 5.38:
          HA    GLN   32 - HB3   ASN   35   3.50 +/- 0.32  88.118% * 36.9380% (0.49  1.00   1.95   6.11) =  84.620%  kept
          HA    LYS+  33 - HB3   ASN   35   4.99 +/- 0.21  11.482% * 51.4945% (0.92  1.00   1.43   1.35) =  15.371%  kept
          HA    GLU-  29 - HB3   ASN   35   8.74 +/- 0.40   0.373% *  0.7716% (0.99  1.00   0.02   0.02) =   0.007%
        T HA    VAL   18 - HB3   ASN   35  18.95 +/- 0.79   0.004% *  7.7673% (1.00 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB3   ASN   35  14.40 +/- 0.98   0.021% *  0.5036% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   ASN   35  22.78 +/- 1.49   0.001% *  0.7767% (1.00  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   ASN   35  24.60 +/- 1.14   0.001% *  0.4096% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   ASN   35  29.21 +/- 1.65   0.000% *  0.5036% (0.65  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB3   ASN   35  29.88 +/- 0.97   0.000% *  0.5949% (0.76  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   ASN   35  32.30 +/- 0.90   0.000% *  0.2403% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.95, residual support = 55.3:
      O   HA    ASN   35 - HB3   ASN   35   3.02 +/- 0.02  99.894% * 99.4336% (0.90  10.0   3.95  55.35) = 100.000%  kept
          HA    LEU   40 - HB3   ASN   35  10.41 +/- 0.39   0.061% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   ASN   35  11.37 +/- 0.93   0.039% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   ASN   35  17.42 +/- 1.11   0.003% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   ASN   35  18.66 +/- 2.47   0.003% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   ASN   35  26.35 +/- 2.35   0.000% *  0.1087% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  30.54 +/- 1.51   0.000% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  29.43 +/- 0.97   0.000% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  33.17 +/- 1.08   0.000% *  0.0456% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 55.3:
      O   HD21  ASN   35 - HB3   ASN   35   2.69 +/- 0.40  99.997% * 99.8105% (1.00  10.0   3.26  55.35) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  16.55 +/- 0.50   0.002% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  21.72 +/- 0.84   0.000% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  31.85 +/- 1.59   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  27.77 +/- 1.33   0.000% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2515 (7.76, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.91, residual support = 51.6:
          HN    GLU-  36 - HB3   ASN   35   2.89 +/- 0.07  99.488% * 98.9717% (0.97   5.91  51.61) =  99.998%  kept
          HN    THR   39 - HB3   ASN   35   7.07 +/- 0.18   0.475% *  0.3112% (0.90   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB3   ASN   35  12.36 +/- 1.87   0.029% *  0.2898% (0.84   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   ASN   35  14.20 +/- 0.49   0.007% *  0.1071% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   ASN   35  19.64 +/- 1.16   0.001% *  0.3203% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 5.88, residual support = 55.3:
      O   HN    ASN   35 - HB3   ASN   35   2.66 +/- 0.31  99.999% * 99.9102% (0.97  10.0   5.88  55.35) = 100.000%  kept
          HN    ALA   12 - HB3   ASN   35  20.96 +/- 3.38   0.001% *  0.0898% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 55.3:
      O   HD22  ASN   35 - HB3   ASN   35   3.71 +/- 0.19 100.000% *100.0000% (0.99  10.0   3.26  55.35) = 100.000%  kept
    Distance limit 3.96 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 = 51.6:
          HN    GLU-  36 - HB2   ASN   35   3.57 +/- 0.10  97.757% * 98.9280% (0.92   6.05  51.61) =  99.995%  kept
          HN    THR   39 - HB2   ASN   35   6.96 +/- 0.22   1.873% *  0.1863% (0.53   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HB2   ASN   35  11.36 +/- 2.02   0.221% *  0.3533% (1.00   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB2   ASN   28  11.95 +/- 0.47   0.071% *  0.1017% (0.29   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   28  13.17 +/- 0.92   0.043% *  0.0624% (0.18   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASN   28  14.82 +/- 0.39   0.019% *  0.0580% (0.16   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   ASN   28  17.40 +/- 2.06   0.010% *  0.1099% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   35  18.75 +/- 1.20   0.005% *  0.2005% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2519 (4.09, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.57, residual support = 86.7:
      O T HA    GLU-  36 - QB    GLU-  36   2.43 +/- 0.18  99.992% * 99.4140% (0.84  10.0 10.00   5.57  86.71) = 100.000%  kept
        T HA    GLU-  36 - HB3   GLU-  29  12.22 +/- 0.64   0.007% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    GLU-  36  21.57 +/- 1.08   0.000% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  18.74 +/- 0.75   0.001% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  23.66 +/- 0.69   0.000% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  24.94 +/- 2.26   0.000% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  25.38 +/- 1.13   0.000% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  30.00 +/- 1.53   0.000% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  28.89 +/- 1.79   0.000% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  31.57 +/- 2.18   0.000% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 3.72, residual support = 19.0:
          HN    SER   37 - QB    GLU-  36   3.37 +/- 0.23  85.464% * 95.6956% (0.45   3.72  19.02) =  99.952%  kept
          HN    LYS+  33 - QB    GLU-  36   4.74 +/- 0.21  11.173% *  0.3191% (0.28   0.02   0.02) =   0.044%
          HN    LYS+  33 - HB3   GLU-  29   6.00 +/- 0.57   3.177% *  0.0989% (0.09   0.02   0.02) =   0.004%
          HN    CYS   21 - HB3   GLU-  29  10.28 +/- 0.48   0.117% *  0.3431% (0.30   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    GLU-  36  15.22 +/- 0.48   0.010% *  1.1076% (0.97   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   GLU-  29  11.60 +/- 0.72   0.056% *  0.1594% (0.14   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    GLU-  36  23.03 +/- 0.62   0.001% *  0.7424% (0.65   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    GLU-  36  24.78 +/- 1.33   0.001% *  0.9955% (0.87   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   GLU-  29  20.50 +/- 0.71   0.002% *  0.2300% (0.20   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   GLU-  29  27.71 +/- 1.17   0.000% *  0.3084% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2521 (7.77, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 7.31, residual support = 86.7:
      O   HN    GLU-  36 - QB    GLU-  36   2.11 +/- 0.07  99.835% * 99.6455% (0.69  10.0   7.31  86.71) = 100.000%  kept
          HN    THR   39 - QB    GLU-  36   6.24 +/- 0.30   0.152% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   GLU-  29  10.04 +/- 0.58   0.009% *  0.0309% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    GLU-  36  14.11 +/- 1.67   0.002% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  13.20 +/- 0.74   0.002% *  0.0125% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  19.01 +/- 2.12   0.000% *  0.0390% (0.27   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  18.74 +/- 0.64   0.000% *  0.0362% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  19.91 +/- 0.87   0.000% *  0.0448% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  17.02 +/- 0.93   0.000% *  0.0139% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  21.96 +/- 0.70   0.000% *  0.0112% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 86.7:
          HN    GLU-  36 - HG2   GLU-  36   3.51 +/- 0.53  99.980% * 98.4030% (0.28   4.85  86.71) = 100.000%  kept
          HN    LYS+ 102 - HG2   GLU-  36  15.99 +/- 1.84   0.018% *  0.6537% (0.45   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG2   GLU-  36  21.40 +/- 1.16   0.002% *  0.9433% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 86.7:
          HN    GLU-  36 - HG3   GLU-  36   4.04 +/- 0.08  97.759% * 98.8139% (0.69   4.85  86.71) =  99.996%  kept
          HN    THR   39 - HG3   GLU-  36   8.11 +/- 1.11   2.135% *  0.1648% (0.28   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HG3   GLU-  36  16.91 +/- 1.86   0.024% *  0.5141% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    MET   11  17.71 +/- 3.27   0.038% *  0.0507% (0.09   0.02   0.02) =   0.000%
          HN    THR   39 - QB    MET   11  17.20 +/- 2.90   0.035% *  0.0205% (0.03   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   GLU-  36  22.18 +/- 0.80   0.004% *  0.1478% (0.25   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG3   GLU-  36  23.37 +/- 0.88   0.003% *  0.1829% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    MET   11  26.45 +/- 1.90   0.001% *  0.0641% (0.11   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  27.77 +/- 1.80   0.001% *  0.0184% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  29.35 +/- 1.82   0.001% *  0.0228% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2524 (7.78, 4.10, 58.69 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 6.06, residual support = 86.7:
      O   HN    GLU-  36 - HA    GLU-  36   2.84 +/- 0.01  99.992% * 99.6076% (0.28  10.0   6.06  86.71) = 100.000%  kept
          HN    LYS+ 102 - HA    GLU-  36  14.69 +/- 1.78   0.007% *  0.1606% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HA    GLU-  36  20.52 +/- 0.74   0.001% *  0.2318% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2525 (7.91, 4.03, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.43, residual support = 26.8:
      O   HN    SER   37 - HB2   SER   37   3.41 +/- 0.21  99.989% * 99.7690% (0.98  10.0   3.43  26.81) = 100.000%  kept
          HN    CYS   21 - HB2   SER   37  16.26 +/- 0.69   0.009% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   SER   37  23.07 +/- 1.35   0.001% *  0.0883% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  25.22 +/- 0.89   0.001% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2526 (8.29, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 0.0199, residual support = 0.0199:
          HN    GLN   30 - HB3   SER   37  10.78 +/- 0.78  44.500% * 12.9780% (0.47   0.02   0.02) =  49.312%  kept
          HN    GLU-  29 - HB3   SER   37  13.00 +/- 0.81  14.350% * 22.4691% (0.82   0.02   0.02) =  27.532%  kept
          HN    VAL   18 - QB    SER   13  11.74 +/- 1.05  29.241% *  4.8772% (0.18   0.02   0.02) =  12.178%  kept
          HN    GLN   30 - QB    SER   13  15.65 +/- 1.51   5.554% *  9.9312% (0.36   0.02   0.02) =   4.710%  kept
          HN    GLU-  29 - QB    SER   13  17.59 +/- 1.57   2.653% * 17.1942% (0.63   0.02   0.02) =   3.895%  kept
          HN    VAL   18 - HB3   SER   37  16.91 +/- 0.87   3.133% *  6.3735% (0.23   0.02   0.02) =   1.705%  kept
          HN    ASP-  86 - HB3   SER   37  23.74 +/- 1.10   0.393% * 14.8290% (0.54   0.02   0.02) =   0.497%
          HN    ASP-  86 - QB    SER   13  27.11 +/- 1.26   0.176% * 11.3477% (0.41   0.02   0.02) =   0.171%
    Distance limit 3.76 A violated in 20 structures by 5.60 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.59, residual support = 218.2:
      O   HN    LYS+  38 - HA    LYS+  38   2.21 +/- 0.01  96.816% * 99.8691% (0.92  10.0   6.59 218.18) =  99.999%  kept
          HN    SER   37 - HA    LYS+  38   4.02 +/- 0.01   2.668% *  0.0270% (0.25   1.0   0.02  13.20) =   0.001%
          HN    LYS+  38 - HA    GLU- 100   6.43 +/- 1.29   0.417% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100   7.98 +/- 1.28   0.083% *  0.0016% (0.02   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38  10.66 +/- 0.28   0.008% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  11.13 +/- 0.99   0.007% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  23.39 +/- 0.74   0.000% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  31.52 +/- 1.09   0.000% *  0.0527% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  22.46 +/- 0.85   0.000% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  29.77 +/- 1.23   0.000% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 6.27, residual support = 22.8:
      O   HN    THR   39 - HA    LYS+  38   3.08 +/- 0.03  89.107% * 99.6467% (0.92  10.0   6.27  22.80) =  99.996%  kept
          HN    GLU-  36 - HA    LYS+  38   5.34 +/- 0.02   3.304% *  0.1021% (0.95   1.0   0.02   0.63) =   0.004%
          HN    LYS+ 102 - HA    GLU- 100   5.25 +/- 0.56   4.369% *  0.0052% (0.05   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    GLU- 100   6.33 +/- 1.21   2.749% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    LYS+  38   9.60 +/- 1.62   0.169% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    GLU- 100   8.62 +/- 1.23   0.292% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  16.80 +/- 0.44   0.003% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  20.48 +/- 0.93   0.001% *  0.1021% (0.95   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  18.07 +/- 0.95   0.002% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  16.94 +/- 0.99   0.003% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 13.2:
          HN    SER   37 - HB2   LYS+  38   4.68 +/- 0.05  99.974% * 32.1378% (1.00   0.02  13.20) =  99.986%  kept
          HN    CYS   21 - HB2   LYS+  38  20.06 +/- 0.50   0.016% * 10.9869% (0.34   0.02   0.02) =   0.006%
          HN    ILE  119 - HB2   LYS+  38  24.03 +/- 1.71   0.006% * 25.7912% (0.80   0.02   0.02) =   0.005%
          HN    ILE   89 - HB2   LYS+  38  26.40 +/- 0.69   0.003% * 31.0842% (0.97   0.02   0.02) =   0.003%
    Distance limit 3.66 A violated in 19 structures by 1.03 A, eliminated.
    Peak unassigned.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.452, support = 5.3, residual support = 22.6:
          HN    THR   39 - HB2   LYS+  38   4.23 +/- 0.17  92.046% * 88.6221% (0.45   5.35  22.80) =  99.039%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.49 +/- 0.22   7.673% * 10.2941% (0.87   0.32   0.63) =   0.959%  kept
          HN    LYS+ 102 - HB2   LYS+  38  11.73 +/- 1.44   0.277% *  0.7242% (0.98   0.02   0.02) =   0.002%
          HD1   TRP   87 - HB2   LYS+  38  23.25 +/- 0.87   0.003% *  0.3596% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 4 structures by 0.90 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.787, support = 5.8, residual support = 211.4:
          HN    LYS+  38 - HG2   LYS+  38   3.32 +/- 0.27  90.338% * 75.0118% (0.80   5.85 218.18) =  96.713%  kept
          HN    SER   37 - HG2   LYS+  38   4.86 +/- 0.17   9.339% * 24.6560% (0.38   4.11  13.20) =   3.286%  kept
          HN    LYS+  38 - HG2   LYS+  99   9.20 +/- 0.99   0.233% *  0.0698% (0.22   0.02   0.02) =   0.000%
          HN    SER   37 - HG2   LYS+  99  10.74 +/- 0.97   0.089% *  0.0327% (0.10   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  25.58 +/- 0.95   0.000% *  0.0713% (0.22   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  21.59 +/- 0.76   0.001% *  0.0194% (0.06   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  38  33.55 +/- 1.19   0.000% *  0.1092% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  28.19 +/- 1.39   0.000% *  0.0298% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.78, support = 5.56, residual support = 208.0:
          HN    LYS+  38 - HG3   LYS+  38   4.00 +/- 0.13  87.519% * 71.9631% (0.80   5.61 218.18) =  95.046%  kept
          HN    SER   37 - HG3   LYS+  38   5.60 +/- 0.17  11.810% * 27.7979% (0.38   4.62  13.20) =   4.954%  kept
          HN    LYS+  38 - HG3   LYS+  99   9.81 +/- 1.05   0.476% *  0.0268% (0.08   0.02   0.02) =   0.000%
          HN    SER   37 - HG3   LYS+  99  11.37 +/- 1.03   0.189% *  0.0126% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  38  25.91 +/- 1.54   0.001% *  0.0714% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  38  33.82 +/- 1.30   0.000% *  0.1094% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  21.80 +/- 0.98   0.004% *  0.0074% (0.02   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  28.22 +/- 1.22   0.001% *  0.0114% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.963, support = 3.73, residual support = 38.0:
      O   HN    THR   39 - HA    THR   39   2.86 +/- 0.02  95.841% * 95.2261% (0.97  10.0   3.74  38.08) =  99.814%  kept
          HN    LYS+ 102 - HA    ILE  103   4.90 +/- 0.19   3.902% *  4.3502% (0.24   1.0   3.68  22.37) =   0.186%
          HN    GLU-  36 - HA    THR   39   8.18 +/- 0.13   0.176% *  0.0885% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    THR   39  10.64 +/- 1.34   0.048% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  12.86 +/- 1.02   0.013% *  0.0320% (0.32   1.0   0.02   0.46) =   0.000%
          HN    THR   39 - HA    ILE  103  13.30 +/- 0.49   0.010% *  0.0315% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  15.84 +/- 0.78   0.004% *  0.0292% (0.30   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.88 +/- 0.50   0.002% *  0.0406% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  20.32 +/- 0.73   0.001% *  0.0967% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.29 +/- 0.86   0.002% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  17.61 +/- 0.91   0.002% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  26.21 +/- 0.57   0.000% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2534 (8.87, 4.27, 62.55 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 4.03, residual support = 23.7:
      O   HN    LEU   40 - HA    THR   39   2.30 +/- 0.01  99.687% * 99.8247% (0.57  10.0   4.03  23.71) = 100.000%  kept
          HN    GLY  101 - HA    ILE  103   6.21 +/- 0.13   0.261% *  0.0353% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HA    THR   39   8.66 +/- 0.92   0.043% *  0.1069% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HA    ILE  103  10.95 +/- 0.48   0.009% *  0.0330% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2535 (7.75, 3.86, 70.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.73, residual support = 38.1:
      O   HN    THR   39 - HB    THR   39   2.62 +/- 0.24  99.646% * 99.6727% (0.97  10.0   3.73  38.08) = 100.000%  kept
          HN    GLU-  36 - HB    THR   39   6.87 +/- 0.26   0.329% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   39  11.81 +/- 1.55   0.020% *  0.0750% (0.73   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    THR   39  14.38 +/- 0.50   0.004% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    THR   39  19.04 +/- 0.87   0.001% *  0.1012% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  25.20 +/- 0.89   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.93, residual support = 23.7:
          HN    LEU   40 - HB    THR   39   3.80 +/- 0.23  99.486% * 99.9090% (0.98   3.93  23.71) = 100.000%  kept
          HN    GLY  101 - HB    THR   39   9.55 +/- 1.10   0.514% *  0.0910% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.595, support = 0.224, residual support = 0.224:
          HN    LEU   71 - QG2   THR   39   3.94 +/- 1.12  98.639% * 55.2344% (0.60   0.22   0.22) =  99.931%  kept
          HN    GLU- 114 - QB    ALA   91  11.87 +/- 2.44   0.546% *  3.3173% (0.40   0.02   0.02) =   0.033%
          HN    GLN  116 - QB    ALA   91  13.65 +/- 2.13   0.134% *  2.8269% (0.34   0.02   0.02) =   0.007%
          HN    THR  118 - QB    ALA   91  13.84 +/- 2.23   0.132% *  1.9161% (0.23   0.02   0.02) =   0.005%
          HN    PHE   60 - QB    ALA   91  13.01 +/- 1.51   0.214% *  1.1544% (0.14   0.02   0.02) =   0.005%
          HN    PHE   60 - QG2   THR   39  15.89 +/- 0.81   0.083% *  2.4447% (0.30   0.02   0.02) =   0.004%
          HN    LEU   71 - QG2   THR   23  15.78 +/- 0.42   0.073% *  2.7625% (0.33   0.02   0.02) =   0.004%
          HN    THR  118 - QG2   THR   39  16.96 +/- 0.83   0.049% *  4.0576% (0.49   0.02   0.02) =   0.004%
          HN    GLN  116 - QG2   THR   39  19.35 +/- 1.08   0.028% *  5.9863% (0.72   0.02   0.02) =   0.003%
          HN    GLU- 114 - QG2   THR   39  21.17 +/- 1.02   0.015% *  7.0250% (0.85   0.02   0.02) =   0.002%
          HN    PHE   60 - QG2   THR   23  18.51 +/- 0.93   0.047% *  1.3718% (0.17   0.02   0.02) =   0.001%
          HN    LEU   71 - QB    ALA   91  19.32 +/- 1.18   0.020% *  2.3247% (0.28   0.02   0.02) =   0.001%
          HN    GLN  116 - QG2   THR   23  24.34 +/- 0.89   0.007% *  3.3592% (0.41   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   THR   23  24.67 +/- 1.03   0.006% *  3.9420% (0.48   0.02   0.02) =   0.000%
          HN    THR  118 - QG2   THR   23  23.30 +/- 0.69   0.008% *  2.2769% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 3 structures by 0.67 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 = 3.68, residual support = 23.7:
          HN    LEU   40 - QG2   THR   39   2.56 +/- 0.44  99.998% * 99.4420% (0.66   3.68  23.71) = 100.000%  kept
          HN    LEU   40 - QG2   THR   23  18.02 +/- 0.44   0.001% *  0.3030% (0.37   0.02   0.02) =   0.000%
          HN    LEU   40 - QB    ALA   91  21.66 +/- 1.22   0.000% *  0.2550% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2541 (7.74, 1.25, 21.56 ppm):
    24 chemical-shift based assignments, quality = 0.603, support = 3.09, residual support = 13.3:
      O   HN    ALA   91 - QB    ALA   91   2.34 +/- 0.20  83.122% * 89.0350% (0.61  10.0   3.08  12.88) =  98.246%  kept
          HN    THR   39 - QG2   THR   39   3.43 +/- 0.42  13.109% * 10.0750% (0.38   1.0   3.63  38.08) =   1.753%  kept
          HN    TRP   27 - QG2   THR   23   4.49 +/- 0.87   3.550% *  0.0142% (0.10   1.0   0.02   1.11) =   0.001%
          HD1   TRP   87 - QB    ALA   91   8.76 +/- 0.64   0.036% *  0.1122% (0.76   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   39   7.21 +/- 0.75   0.132% *  0.0260% (0.18   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   91  11.04 +/- 0.84   0.009% *  0.0366% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39  10.27 +/- 1.30   0.017% *  0.0154% (0.11   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QG2   THR   39  12.86 +/- 1.13   0.004% *  0.0640% (0.44   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA   91  14.61 +/- 1.29   0.002% *  0.0772% (0.53   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  11.17 +/- 0.94   0.009% *  0.0118% (0.08   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   91  17.07 +/- 0.41   0.001% *  0.1355% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  15.19 +/- 0.76   0.001% *  0.0365% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  16.40 +/- 1.00   0.001% *  0.0530% (0.36   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  15.47 +/- 1.08   0.001% *  0.0173% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  15.63 +/- 1.07   0.001% *  0.0094% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  23.67 +/- 1.01   0.000% *  0.1175% (0.80   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  13.92 +/- 1.21   0.002% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  19.49 +/- 1.17   0.000% *  0.0327% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  17.27 +/- 0.59   0.001% *  0.0124% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  21.17 +/- 0.73   0.000% *  0.0420% (0.29   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  15.85 +/- 0.87   0.001% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  17.95 +/- 1.08   0.000% *  0.0081% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  24.89 +/- 0.77   0.000% *  0.0551% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  19.63 +/- 1.62   0.000% *  0.0034% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2542 (8.47, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 3.04, residual support = 8.97:
          HN    MET   92 - QB    ALA   91   3.16 +/- 0.23  99.247% * 96.4975% (0.87   3.04   8.97) =  99.998%  kept
          HN    THR   46 - QB    ALA   91   8.93 +/- 0.25   0.210% *  0.7178% (0.98   0.02   0.02) =   0.002%
          HN    LYS+ 112 - QB    ALA   91  11.16 +/- 2.02   0.127% *  0.2498% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   23   8.78 +/- 0.54   0.242% *  0.0668% (0.09   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   39  11.46 +/- 0.65   0.049% *  0.2999% (0.41   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   23  10.77 +/- 0.91   0.084% *  0.0755% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  74 - QB    ALA   91  14.97 +/- 0.59   0.010% *  0.6352% (0.87   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   39  15.74 +/- 2.51   0.018% *  0.1819% (0.25   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   39  16.70 +/- 0.62   0.005% *  0.3389% (0.46   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   23  16.95 +/- 0.93   0.005% *  0.0668% (0.09   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   39  22.40 +/- 0.69   0.001% *  0.2999% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   39  22.74 +/- 1.05   0.001% *  0.1180% (0.16   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   23  22.09 +/- 1.98   0.001% *  0.0405% (0.06   0.02   0.02) =   0.000%
          HN    MET   11 - QB    ALA   91  33.66 +/- 1.82   0.000% *  0.3853% (0.53   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  24.51 +/- 1.01   0.001% *  0.0263% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.709, support = 4.74, residual support = 53.9:
          HA    LYS+  99 - QD2   LEU   40   2.34 +/- 0.61  59.087% * 42.9556% (0.80   3.55  13.40) =  52.752%  kept
          HA    LEU   40 - QD2   LEU   40   2.54 +/- 0.61  40.843% * 55.6595% (0.61   6.07  99.03) =  47.248%  kept
          HA    ASN   35 - QD2   LEU   40   8.86 +/- 0.63   0.032% *  0.2792% (0.92   0.02   0.02) =   0.000%
          HA    LEU  123 - QD2   LEU   40  11.48 +/- 1.95   0.014% *  0.2998% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU   40  11.51 +/- 1.27   0.020% *  0.1243% (0.41   0.02   0.02) =   0.000%
          HA    ILE   56 - QD2   LEU   40  16.61 +/- 1.41   0.001% *  0.2861% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU   40  16.08 +/- 1.23   0.002% *  0.1356% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU   40  15.75 +/- 1.73   0.002% *  0.1243% (0.41   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU   40  17.26 +/- 1.07   0.001% *  0.1356% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2544 (4.40, 0.91, 26.66 ppm):
    11 chemical-shift based assignments, quality = 0.976, support = 4.28, residual support = 97.1:
          HA    LEU   40 - QD1   LEU   40   3.53 +/- 0.50  70.618% * 92.3468% (0.99   4.36  99.03) =  97.721%  kept
          HA    LYS+  99 - QD1   LEU   40   4.14 +/- 0.48  28.064% *  5.4081% (0.31   0.82  13.40) =   2.274%  kept
          HA    LEU  123 - QD1   LEU   40  10.71 +/- 2.10   0.633% *  0.2593% (0.61   0.02   0.02) =   0.002%
          HA    GLU-  15 - QD1   LEU   40   9.81 +/- 0.88   0.218% *  0.3834% (0.90   0.02   0.02) =   0.001%
          HA    ASN   35 - QD1   LEU   40   9.71 +/- 0.64   0.170% *  0.1917% (0.45   0.02   0.02) =   0.000%
          HA    SER   37 - QD1   LEU   40  10.67 +/- 0.26   0.111% *  0.1320% (0.31   0.02   0.14) =   0.000%
          HA    GLN   17 - QD1   LEU   40  10.88 +/- 0.82   0.108% *  0.1320% (0.31   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU   40  14.45 +/- 1.59   0.027% *  0.3834% (0.90   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU   40  14.59 +/- 0.83   0.021% *  0.3947% (0.92   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU   40  15.48 +/- 1.34   0.015% *  0.2081% (0.49   0.02   0.02) =   0.000%
          HA    THR   46 - QD1   LEU   40  14.53 +/- 0.48   0.016% *  0.1605% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.671, support = 0.0199, residual support = 0.0199:
        T HB3   HIS  122 - QD1   LEU   40   7.36 +/- 1.89  51.384% * 81.4215% (0.69 10.00   0.02   0.02) =  95.929%  kept
          QE    LYS+ 121 - QD1   LEU   40   8.18 +/- 2.20  38.270% *  4.0433% (0.34  1.00   0.02   0.02) =   3.548%  kept
          QE    LYS+  74 - QD1   LEU   40  10.34 +/- 0.85   9.727% *  2.0759% (0.18  1.00   0.02   0.02) =   0.463%
          HB3   ASP-  78 - QD1   LEU   40  20.20 +/- 0.63   0.172% * 10.6304% (0.90  1.00   0.02   0.02) =   0.042%
          QB    CYS   50 - QD1   LEU   40  16.98 +/- 0.92   0.448% *  1.8289% (0.15  1.00   0.02   0.02) =   0.019%
    Distance limit 3.67 A violated in 17 structures by 2.81 A, eliminated.
    Peak unassigned.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.95, support = 0.0199, residual support = 0.0199:
          HE21  GLN   30 - QD1   LEU   40   8.55 +/- 0.92  67.576% * 27.6510% (1.00   0.02   0.02) =  71.359%  kept
          QD    PHE   59 - QD1   LEU   40  10.55 +/- 1.24  23.848% * 23.0961% (0.84   0.02   0.02) =  21.035%  kept
          HD1   TRP   27 - QD1   LEU   40  12.86 +/- 1.53   8.218% * 23.0961% (0.84   0.02   0.02) =   7.248%  kept
          HH2   TRP   49 - QD1   LEU   40  21.85 +/- 2.11   0.358% * 26.1568% (0.95   0.02   0.02) =   0.358%
    Distance limit 3.70 A violated in 20 structures by 4.24 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD2   LEU   40   9.60 +/- 1.44  62.718% * 27.6510% (1.00   0.02   0.02) =  66.777%  kept
          QD    PHE   59 - QD2   LEU   40  11.48 +/- 1.51  25.357% * 23.0961% (0.84   0.02   0.02) =  22.551%  kept
          HD1   TRP   27 - QD2   LEU   40  13.08 +/- 1.30  11.351% * 23.0961% (0.84   0.02   0.02) =  10.095%  kept
          HH2   TRP   49 - QD2   LEU   40  22.59 +/- 1.99   0.574% * 26.1568% (0.95   0.02   0.02) =   0.578%  kept
    Distance limit 3.51 A violated in 20 structures by 5.23 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.42, residual support = 19.8:
          HN    VAL   41 - QD2   LEU   40   2.66 +/- 0.53 100.000% *100.0000% (0.73   4.42  19.79) = 100.000%  kept
    Distance limit 3.05 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.39, residual support = 9.08:
          HN    LEU   98 - QD2   LEU   40   3.18 +/- 0.50 100.000% *100.0000% (0.97   4.39   9.08) = 100.000%  kept
    Distance limit 3.47 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.93, residual support = 99.0:
      O   HN    LEU   40 - HB3   LEU   40   2.30 +/- 0.22  99.946% * 99.9683% (0.98  10.0   4.93  99.03) = 100.000%  kept
          HN    GLY  101 - HB3   LEU   40   8.26 +/- 0.90   0.054% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HB3   LEU  115  20.32 +/- 1.55   0.000% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  21.38 +/- 1.59   0.000% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2551 (8.89, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.73, residual support = 99.0:
      O   HN    LEU   40 - HB2   LEU   40   2.63 +/- 0.29  99.952% * 99.9908% (0.76  10.0   4.73  99.03) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67   9.75 +/- 0.94   0.048% *  0.0092% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2552 (0.17, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.8, support = 3.99, residual support = 37.0:
          QG2   VAL   70 - HB2   LEU   40   3.89 +/- 0.69  55.914% * 99.9538% (0.80   3.99  37.04) =  99.964%  kept
          QG2   VAL   70 - HB2   LEU   67   4.50 +/- 1.41  44.086% *  0.0462% (0.07   0.02   0.02) =   0.036%
    Distance limit 3.46 A violated in 6 structures by 0.57 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 37.0:
        T QG2   VAL   70 - HB3   LEU   40   2.78 +/- 0.75  99.966% * 99.8828% (0.98 10.00   3.99  37.04) = 100.000%  kept
        T QG2   VAL   70 - HB3   LEU  115  13.03 +/- 1.46   0.034% *  0.1172% (0.12 10.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.25, support = 4.72, residual support = 90.0:
      O T HA    LEU   40 - HG    LEU   40   3.35 +/- 0.38  56.535% * 66.6780% (0.18  10.0 10.00   5.17  99.03) =  89.755%  kept
          HA    LYS+  99 - HG    LEU   40   4.01 +/- 0.91  25.827% * 13.9948% (0.98   1.0  1.00   0.75  13.40) =   8.606%  kept
          HA    ASP- 113 - HG    LEU  115   5.84 +/- 1.08   5.859% * 11.4450% (0.53   1.0  1.00   1.12   0.02) =   1.597%  kept
          HA    ILE   56 - HG    LEU  115   5.87 +/- 1.38   6.191% *  0.1912% (0.50   1.0  1.00   0.02   0.02) =   0.028%
          HA    PHE   59 - HG    LEU  115   6.07 +/- 1.56   5.277% *  0.0752% (0.20   1.0  1.00   0.02  29.52) =   0.009%
        T HA    ASN   35 - HG    LEU   40  10.97 +/- 0.62   0.050% *  3.4145% (0.90   1.0 10.00   0.02   0.02) =   0.004%
          HA    LEU  123 - HG    LEU   40  13.40 +/- 2.21   0.031% *  0.2910% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU  115  12.95 +/- 1.14   0.023% *  0.1685% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU   73  11.75 +/- 1.23   0.043% *  0.0696% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU   73  10.19 +/- 1.07   0.120% *  0.0124% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU   73  13.21 +/- 0.84   0.019% *  0.0637% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   40  15.62 +/- 1.13   0.008% *  0.1299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   40  19.51 +/- 1.62   0.002% *  0.3303% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HG    LEU  115  20.70 +/- 1.86   0.001% *  0.3860% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   40  20.80 +/- 1.11   0.001% *  0.3515% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HG    LEU  115  27.95 +/- 1.91   0.000% *  1.9769% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  115  20.36 +/- 1.74   0.001% *  0.2161% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   73  18.27 +/- 1.38   0.003% *  0.0616% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   73  16.25 +/- 0.79   0.006% *  0.0242% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU   73  19.84 +/- 1.93   0.002% *  0.0542% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   73  23.69 +/- 0.92   0.001% *  0.0655% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2556 (0.18, 1.46, 26.98 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.62, residual support = 37.0:
        T QG2   VAL   70 - HG    LEU   40   3.02 +/- 0.82  98.478% * 99.2404% (0.98 10.00   6.62  37.04) =  99.997%  kept
        T QG2   VAL   70 - HG    LEU   73   7.01 +/- 0.99   1.501% *  0.1850% (0.18 10.00   0.02   0.02) =   0.003%
        T QG2   VAL   70 - HG    LEU  115  13.85 +/- 1.44   0.021% *  0.5746% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 1 structures by 0.18 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.47, residual support = 37.0:
          QG2   VAL   70 - QD1   LEU   40   2.00 +/- 0.56 100.000% *100.0000% (0.80   3.47  37.04) = 100.000%  kept
    Distance limit 2.83 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.48, residual support = 37.0:
          QG2   VAL   70 - QD2   LEU   40   3.40 +/- 0.69 100.000% *100.0000% (0.53   4.48  37.04) = 100.000%  kept
    Distance limit 3.14 A violated in 3 structures by 0.42 A, kept.
 
    Peak 2559 (0.66, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.02, residual support = 0.02:
          QG2   ILE   19 - QD2   LEU   40  10.00 +/- 1.09 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.54 A violated in 20 structures by 7.45 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 4.23, residual support = 99.0:
      O T HG    LEU   40 - QD2   LEU   40   2.11 +/- 0.02  87.762% * 41.4375% (0.65  10.0 10.00   3.97  99.03) =  83.988%  kept
      O   HB3   LEU   40 - QD2   LEU   40   3.02 +/- 0.27  12.069% * 57.4464% (0.90  10.0  1.00   5.57  99.03) =  16.012%  kept
          HG    LEU   67 - QD2   LEU   40   7.44 +/- 1.69   0.104% *  0.0490% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD2   LEU   40   8.80 +/- 1.00   0.024% *  0.1268% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD2   LEU   40  14.90 +/- 1.75   0.001% *  0.6391% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD2   LEU   40   8.32 +/- 0.89   0.030% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD2   LEU   40  11.05 +/- 1.33   0.006% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD2   LEU   40  13.43 +/- 1.26   0.002% *  0.1781% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD2   LEU   40  13.94 +/- 1.55   0.001% *  0.0414% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2561 (1.75, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.259, support = 2.41, residual support = 13.4:
        T HB2   LYS+  99 - QD2   LEU   40   2.95 +/- 0.77  60.666% * 55.3730% (0.28 10.00   2.58  13.40) =  66.008%  kept
        T HB3   LYS+  99 - QD2   LEU   40   3.26 +/- 0.89  39.015% * 44.3392% (0.22 10.00   2.07  13.40) =  33.992%  kept
          HB    VAL   43 - QD2   LEU   40   8.44 +/- 0.83   0.303% *  0.0747% (0.38  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD2   LEU   40  15.60 +/- 0.89   0.004% *  0.1208% (0.61  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD2   LEU   40  13.05 +/- 1.11   0.011% *  0.0307% (0.15  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   40  19.84 +/- 0.92   0.001% *  0.0615% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.295, support = 0.02, residual support = 0.02:
          HB2   HIS  122 - QD2   LEU   40   7.85 +/- 1.99  72.483% * 19.5836% (0.31   0.02   0.02) =  80.473%  kept
          HA    LEU   63 - QD2   LEU   40   9.78 +/- 0.91  25.868% * 11.1120% (0.18   0.02   0.02) =  16.296%  kept
          HB2   HIS   22 - QD2   LEU   40  17.60 +/- 1.35   0.892% * 33.3822% (0.53   0.02   0.02) =   1.689%  kept
          HA    LYS+ 112 - QD2   LEU   40  16.88 +/- 1.61   0.757% * 35.9222% (0.57   0.02   0.02) =   1.542%  kept
    Distance limit 3.47 A violated in 18 structures by 3.81 A, eliminated.
    Peak unassigned.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.63, residual support = 13.4:
          QE    LYS+  99 - QD2   LEU   40   2.91 +/- 0.85  99.274% * 98.4797% (0.69   3.63  13.40) =  99.994%  kept
          QE    LYS+ 102 - QD2   LEU   40   8.64 +/- 0.63   0.396% *  0.7905% (1.00   0.02   0.02) =   0.003%
          QE    LYS+  38 - QD2   LEU   40   8.98 +/- 1.34   0.330% *  0.7297% (0.92   0.02   0.02) =   0.002%
    Distance limit 3.88 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.839, support = 0.755, residual support = 0.718:
        T HB3   PHE   97 - QD2   LEU   40   3.93 +/- 0.85  87.564% * 85.8309% (0.84 10.00   0.75   0.73) =  97.851%  kept
          HB2   GLU- 100 - QD2   LEU   40   6.29 +/- 0.82  12.189% * 13.5363% (0.99  1.00   1.00   0.02) =   2.148%  kept
          QG    GLN   32 - QD2   LEU   40  11.89 +/- 0.60   0.178% *  0.0935% (0.34  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD2   LEU   40  15.72 +/- 1.44   0.031% *  0.2592% (0.95  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD2   LEU   40  17.43 +/- 1.10   0.016% *  0.1773% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD2   LEU   40  16.88 +/- 1.50   0.022% *  0.1028% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.44, residual support = 99.0:
      O T HB2   LEU   40 - QD1   LEU   40   2.97 +/- 0.27  97.737% * 99.2435% (0.84  10.0 10.00   4.44  99.03) =  99.990%  kept
        T HB2   LEU   67 - QD1   LEU   40   6.12 +/- 1.06   1.885% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.009%
          HB3   MET   96 - QD1   LEU   40   8.47 +/- 0.95   0.316% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU   40  11.33 +/- 0.93   0.040% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   LEU   40  12.76 +/- 1.18   0.021% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD1   LEU   40  20.47 +/- 0.95   0.001% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.36, residual support = 99.0:
      O   HB2   LEU   40 - QD2   LEU   40   2.40 +/- 0.37  99.571% * 96.6350% (0.34  10.0  1.00   5.36  99.03) =  99.989%  kept
        T HB2   LEU   67 - QD2   LEU   40   7.84 +/- 1.26   0.406% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.011%
          HB    VAL   18 - QD2   LEU   40  13.03 +/- 1.54   0.020% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU   40  14.89 +/- 1.52   0.003% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU   40  18.23 +/- 1.22   0.001% *  0.1379% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU   40  21.64 +/- 1.21   0.000% *  0.2541% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2567 (1.47, 0.91, 26.66 ppm):
    9 chemical-shift based assignments, quality = 0.776, support = 3.93, residual support = 99.0:
      O T HB3   LEU   40 - QD1   LEU   40   2.20 +/- 0.13  43.403% * 57.4671% (0.90  10.0 10.00   3.59  99.03) =  51.693%  kept
      O   HG    LEU   40 - QD1   LEU   40   2.10 +/- 0.02  56.225% * 41.4524% (0.65  10.0  1.00   4.30  99.03) =  48.303%  kept
        T HG    LEU   67 - QD1   LEU   40   5.88 +/- 1.50   0.312% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   73 - QD1   LEU   40   7.75 +/- 1.46   0.043% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - QD1   LEU   40  13.15 +/- 1.30   0.001% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD1   LEU   40  10.66 +/- 1.14   0.004% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40   9.93 +/- 1.24   0.009% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD1   LEU   40  14.07 +/- 1.59   0.001% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  12.04 +/- 0.71   0.002% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2568 (0.91, 1.94, 42.31 ppm):
    6 chemical-shift based assignments, quality = 0.933, support = 4.44, residual support = 96.0:
      O T QD1   LEU   40 - HB2   LEU   40   2.97 +/- 0.27  50.774% * 92.1745% (1.00  10.0 10.00   4.44  99.03) =  92.747%  kept
      O   QD2   LEU   67 - HB2   LEU   67   3.00 +/- 0.30  48.013% *  7.6201% (0.08  10.0  1.00   4.39  57.38) =   7.250%  kept
        T QD1   LEU   40 - HB2   LEU   67   6.12 +/- 1.06   0.967% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   67 - HB2   LEU   40   7.80 +/- 1.10   0.243% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   40  17.20 +/- 0.55   0.001% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  16.60 +/- 1.34   0.002% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.59, residual support = 99.0:
      O T QD1   LEU   40 - HB3   LEU   40   2.20 +/- 0.13  99.781% * 99.7412% (1.00  10.0 10.00   3.59  99.03) = 100.000%  kept
          QD2   LEU   67 - HB3   LEU   40   7.10 +/- 0.97   0.174% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   40 - HB3   LEU  115  13.15 +/- 1.30   0.003% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU  115   8.80 +/- 1.14   0.037% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB3   LEU  115  12.40 +/- 1.81   0.005% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  17.11 +/- 0.52   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.867, support = 3.97, residual support = 99.0:
      O T QD2   LEU   40 - HG    LEU   40   2.11 +/- 0.02  84.459% * 96.1741% (0.87  10.0 10.00   3.97  99.03) =  99.991%  kept
        T QD1   LEU   67 - HG    LEU   40   6.41 +/- 1.68   0.579% *  0.9261% (0.84   1.0 10.00   0.02   0.02) =   0.007%
          QD1   ILE  119 - HG    LEU  115   3.92 +/- 1.09  14.199% *  0.0112% (0.10   1.0  1.00   0.02   8.16) =   0.002%
        T QD2   LEU   40 - HG    LEU   73   8.80 +/- 1.00   0.020% *  0.1793% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU   73   9.78 +/- 1.55   0.014% *  0.1727% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   73   7.55 +/- 1.05   0.128% *  0.0179% (0.16   1.0  1.00   0.02   0.41) =   0.000%
          QD2   LEU   71 - HG    LEU   40   7.17 +/- 1.03   0.118% *  0.0194% (0.18   1.0  1.00   0.02   1.84) =   0.000%
        T QD1   LEU   67 - HG    LEU  115  11.78 +/- 1.78   0.004% *  0.5362% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   73   6.04 +/- 1.43   0.420% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   40   8.70 +/- 0.59   0.018% *  0.0805% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   40 - HG    LEU  115  14.90 +/- 1.75   0.001% *  0.5568% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU   40  16.60 +/- 1.13   0.000% *  0.6725% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   8.97 +/- 0.77   0.018% *  0.0125% (0.11   1.0  1.00   0.02  38.85) =   0.000%
          QD1   ILE  119 - HG    LEU   40  11.82 +/- 2.08   0.009% *  0.0194% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU  115  16.81 +/- 1.81   0.000% *  0.3893% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   40  15.18 +/- 1.11   0.001% *  0.0962% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU  115  17.11 +/- 3.34   0.005% *  0.0112% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU  115  13.86 +/- 1.07   0.001% *  0.0466% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   73  12.45 +/- 0.78   0.002% *  0.0150% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU  115  17.82 +/- 1.82   0.000% *  0.0557% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  13.54 +/- 1.53   0.002% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2571 (0.56, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 3.88, residual support = 74.9:
      O T QG2   VAL   41 - QG1   VAL   41   2.08 +/- 0.04  91.486% * 97.4050% (0.87  10.0 10.00   3.88  74.88) =  99.988%  kept
          QD2   LEU   98 - QG1   VAL   41   3.56 +/- 0.60   6.476% *  0.0771% (0.69   1.0  1.00   0.02  25.33) =   0.006%
        T QD1   LEU   73 - QG1   VAL   41   4.86 +/- 1.02   1.419% *  0.3466% (0.31   1.0 10.00   0.02   0.02) =   0.006%
        T QD1   LEU   63 - QG2   VAL   18   6.50 +/- 0.66   0.121% *  0.2649% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   6.81 +/- 0.59   0.085% *  0.2649% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QG2   VAL   18   9.68 +/- 0.98   0.011% *  0.7444% (0.66   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   98 - QD2   LEU  104   6.26 +/- 0.64   0.148% *  0.0414% (0.04   1.0 10.00   0.02   8.93) =   0.000%
          QD2   LEU   63 - QG2   VAL   18   7.16 +/- 0.82   0.077% *  0.0770% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QD2   LEU  104   7.10 +/- 1.02   0.097% *  0.0523% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41  10.13 +/- 0.99   0.009% *  0.3466% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG1   VAL   41   9.56 +/- 1.13   0.014% *  0.1007% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG2   VAL   18   9.50 +/- 1.13   0.014% *  0.0589% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - QG2   VAL   18  10.41 +/- 1.14   0.007% *  0.0589% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG1   VAL   41  11.46 +/- 0.56   0.003% *  0.0771% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   9.74 +/- 0.72   0.010% *  0.0186% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104   8.88 +/- 0.75   0.017% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  10.91 +/- 0.76   0.005% *  0.0186% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  16.49 +/- 0.69   0.000% *  0.0414% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2572 (1.30, 0.55, 21.65 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 1.45, residual support = 9.34:
          QB    ALA   34 - QG2   VAL   41   3.23 +/- 0.31  97.985% * 83.7277% (0.18   1.46   9.35) =  99.960%  kept
          HG2   LYS+  99 - QG2   VAL   41   7.04 +/- 0.93   1.583% *  1.3002% (0.20   0.02   0.02) =   0.025%
          HG2   LYS+  38 - QG2   VAL   41   8.99 +/- 0.76   0.259% *  1.8267% (0.28   0.02   0.02) =   0.006%
          QG2   THR   77 - QG2   VAL   41  11.64 +/- 0.89   0.058% *  6.2150% (0.95   0.02   0.02) =   0.004%
          QB    ALA   88 - QG2   VAL   41  12.01 +/- 0.76   0.051% *  3.9849% (0.61   0.02   0.02) =   0.002%
          QG2   THR   23 - QG2   VAL   41  11.34 +/- 1.03   0.064% *  2.9455% (0.45   0.02   0.02) =   0.002%
    Distance limit 3.13 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.341, support = 2.77, residual support = 25.3:
        T QB    LEU   98 - QG2   VAL   41   2.86 +/- 0.50  92.815% * 95.8151% (0.34 10.00   2.77  25.33) =  99.991%  kept
          HG    LEU   73 - QG2   VAL   41   5.90 +/- 1.44   6.513% *  0.0867% (0.31  1.00   0.02   0.02) =   0.006%
          HG12  ILE   19 - QG2   VAL   41   9.87 +/- 1.87   0.289% *  0.2803% (1.00  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   80 - QG2   VAL   41  11.89 +/- 1.13   0.033% *  2.2492% (0.80 10.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QG2   VAL   41  10.39 +/- 1.16   0.062% *  0.1929% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   41   8.65 +/- 1.04   0.147% *  0.0625% (0.22  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QG2   VAL   41  12.08 +/- 1.40   0.032% *  0.2711% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   41  11.47 +/- 1.33   0.051% *  0.1704% (0.61  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   41  13.10 +/- 0.87   0.016% *  0.2346% (0.84  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   41  12.66 +/- 1.77   0.018% *  0.1817% (0.65  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   VAL   41  14.94 +/- 0.92   0.007% *  0.2753% (0.98  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   41  13.79 +/- 0.63   0.010% *  0.1367% (0.49  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   41  15.26 +/- 1.60   0.007% *  0.0433% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.09 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  10.95 +/- 0.46 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 2.93 A violated in 20 structures by 8.02 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.5, residual support = 74.9:
      O   HN    VAL   41 - HB    VAL   41   3.12 +/- 0.45 100.000% *100.0000% (0.47  10.0   4.50  74.88) = 100.000%  kept
    Distance limit 3.37 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.974, support = 2.83, residual support = 25.2:
          HN    LEU   98 - QG1   VAL   41   4.84 +/- 0.88  67.743% * 98.1121% (0.98   2.84  25.33) =  99.349%  kept
          HN    LEU   98 - QD2   LEU  104   5.69 +/- 0.65  31.841% *  1.3601% (0.05   0.73   8.93) =   0.647%  kept
          HN    LEU   98 - QG2   VAL   18  11.58 +/- 0.79   0.416% *  0.5277% (0.75   0.02   0.02) =   0.003%
    Distance limit 3.65 A violated in 8 structures by 0.74 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.582, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HB    VAL   41  12.97 +/- 1.20  51.371% * 34.1212% (0.66   0.02   0.02) =  66.098%  kept
          HN    LYS+  66 - HB    VAL   41  16.14 +/- 0.42  13.793% * 29.5320% (0.57   0.02   0.02) =  15.360%  kept
          QE    PHE   59 - HB    VAL   41  14.88 +/- 2.49  28.981% * 12.0603% (0.23   0.02   0.02) =  13.180%  kept
          HN    LYS+  81 - HB    VAL   41  18.85 +/- 0.86   5.855% * 24.2865% (0.47   0.02   0.02) =   5.362%  kept
    Distance limit 3.59 A violated in 20 structures by 7.90 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.12, residual support = 23.3:
      O   HN    VAL   42 - HA    VAL   41   2.19 +/- 0.02  99.870% * 99.8070% (0.98  10.0   5.12  23.26) = 100.000%  kept
          HN    LEU   73 - HA    VAL   41   6.98 +/- 0.58   0.111% *  0.0998% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HA    VAL   41   9.59 +/- 0.86   0.017% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   41  13.65 +/- 0.45   0.002% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 39.9:
      O   HN    VAL   43 - HA    VAL   42   2.21 +/- 0.02 100.000% * 99.9765% (0.90  10.0   5.05  39.91) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  19.39 +/- 1.05   0.000% *  0.0235% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 2.70 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 = 0.354, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - QG2   VAL   41   3.02 +/- 0.85  99.090% * 16.0745% (0.34   0.02   0.02) =  97.704%  kept
          QG2   VAL   83 - QG2   VAL   41   8.11 +/- 0.97   0.544% * 37.7342% (0.80   0.02   0.02) =   1.259%  kept
          QD1   ILE   89 - QG2   VAL   41   8.79 +/- 0.71   0.366% * 46.1912% (0.98   0.02   0.02) =   1.037%  kept
    Distance limit 2.91 A violated in 5 structures by 0.42 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 = 0.697, support = 3.37, residual support = 17.2:
        T HB    VAL   41 - HB    VAL   42   5.99 +/- 0.27   7.939% * 93.2934% (0.84 10.00   4.19  23.26) =  66.133%  kept
          HB2   LEU   71 - HB    VAL   42   3.82 +/- 0.55  90.023% *  4.2109% (0.42  1.00   1.79   5.24) =  33.849%  kept
        T QB    LYS+ 102 - HB    VAL   42  12.04 +/- 0.95   0.114% *  0.6254% (0.56 10.00   0.02   0.02) =   0.006%
          HG2   PRO   93 - HB2   LYS+ 112   9.38 +/- 1.29   0.691% *  0.0592% (0.53  1.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - HB    VAL   42  10.06 +/- 0.51   0.313% *  0.0965% (0.87  1.00   0.02   0.02) =   0.003%
          HG12  ILE  103 - HB    VAL   42   9.98 +/- 0.81   0.342% *  0.0839% (0.75  1.00   0.02   0.02) =   0.003%
          HB3   PRO   52 - HB2   LYS+ 112  11.04 +/- 1.24   0.264% *  0.0414% (0.37  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HB    VAL   42  11.31 +/- 0.34   0.159% *  0.0509% (0.46  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB2   LYS+ 112  15.06 +/- 1.11   0.028% *  0.0681% (0.61  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   LYS+ 112  14.35 +/- 0.97   0.045% *  0.0414% (0.37  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   42  15.95 +/- 0.80   0.021% *  0.0839% (0.75  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB    VAL   42  15.81 +/- 1.81   0.029% *  0.0586% (0.53  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LYS+ 112  24.78 +/- 1.19   0.002% *  0.6584% (0.59 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HB2   LYS+ 112  23.16 +/- 0.79   0.002% *  0.4413% (0.40 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   LYS+ 112  16.15 +/- 1.60   0.019% *  0.0359% (0.32  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB    VAL   42  20.96 +/- 0.91   0.004% *  0.0586% (0.53  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LYS+ 112  22.05 +/- 1.09   0.003% *  0.0592% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   LYS+ 112  24.27 +/- 2.50   0.002% *  0.0332% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 3 structures by 0.65 A, kept.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.28, residual support = 87.2:
          HN    VAL   42 - QG2   VAL   42   3.37 +/- 0.18  93.336% * 77.7650% (0.64   5.34  88.62) =  98.342%  kept
          HN    LEU   73 - QG2   VAL   42   5.51 +/- 0.38   5.582% * 21.8802% (0.64   1.50   1.11) =   1.655%  kept
          HN    LYS+ 106 - QG2   VAL   42   7.91 +/- 0.58   0.634% *  0.2912% (0.64   0.02   0.02) =   0.003%
          HN    ILE   19 - QG2   VAL   42   8.33 +/- 0.44   0.448% *  0.0637% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.13, residual support = 39.9:
          HN    VAL   43 - QG2   VAL   42   3.65 +/- 0.20 100.000% *100.0000% (0.72   5.13  39.91) = 100.000%  kept
    Distance limit 3.76 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.961, support = 3.99, residual support = 88.0:
      O T HA    VAL   42 - QG1   VAL   42   2.73 +/- 0.10  82.749% * 91.4888% (0.97  10.0 10.00   4.00  88.62) =  99.188%  kept
          HA    THR   46 - QB    ALA   47   3.82 +/- 0.08  11.310% *  5.4588% (0.44   1.0  1.00   2.63  12.69) =   0.809%  kept
          HA    GLN   90 - QB    ALA   47   5.91 +/- 1.88   5.603% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   17 - QG1   VAL   42   8.37 +/- 0.92   0.137% *  0.5549% (0.59   1.0 10.00   0.02   0.02) =   0.001%
        T HA    PHE   55 - QB    ALA   47   9.72 +/- 0.79   0.048% *  0.4473% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - QB    ALA   47  14.79 +/- 0.26   0.003% *  0.7901% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG1   VAL   42   9.79 +/- 0.30   0.041% *  0.0481% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   47   9.10 +/- 1.15   0.079% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG1   VAL   42  15.14 +/- 1.10   0.003% *  0.5180% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   17 - QB    ALA   47  15.99 +/- 0.77   0.002% *  0.4792% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG1   VAL   42  12.14 +/- 1.68   0.014% *  0.0254% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG1   VAL   42  13.65 +/- 0.50   0.006% *  0.0555% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  13.93 +/- 0.85   0.005% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  26.09 +/- 0.47   0.000% *  0.0479% (0.51   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2587 (7.28, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.847, support = 0.02, residual support = 0.246:
          QD    PHE   60 - QG1   VAL   42   5.34 +/- 1.05  60.488% * 18.3095% (0.93   0.02   0.33) =  73.449%  kept
          QD    PHE   60 - QB    ALA   47   8.14 +/- 0.95   8.726% * 15.8117% (0.80   0.02   0.02) =   9.151%  kept
          QE    PHE   59 - QG1   VAL   42   7.57 +/- 2.32  20.616% *  6.4716% (0.33   0.02   0.02) =   8.848%  kept
          HN    LYS+  66 - QG1   VAL   42   8.15 +/- 0.42   6.003% * 15.8469% (0.81   0.02   0.02) =   6.309%  kept
          HN    LYS+  81 - QB    ALA   47  10.24 +/- 0.72   1.592% * 11.2543% (0.57   0.02   0.02) =   1.188%  kept
          QE    PHE   59 - QB    ALA   47  10.72 +/- 2.07   2.375% *  5.5887% (0.28   0.02   0.02) =   0.880%  kept
          HN    LYS+  81 - QG1   VAL   42  15.18 +/- 0.39   0.128% * 13.0321% (0.66   0.02   0.02) =   0.111%
          HN    LYS+  66 - QB    ALA   47  17.03 +/- 0.69   0.071% * 13.6851% (0.70   0.02   0.02) =   0.064%
    Distance limit 2.94 A violated in 18 structures by 1.86 A, eliminated.
    Peak unassigned.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.773, support = 4.05, residual support = 62.3:
          HN    VAL   42 - QG1   VAL   42   3.48 +/- 0.12  26.882% * 85.0790% (0.77   5.42  88.62) =  69.881%  kept
          HN    LEU   73 - QG1   VAL   42   2.93 +/- 0.59  72.130% * 13.6648% (0.77   0.87   1.11) =  30.116%  kept
          HN    LYS+ 106 - QG1   VAL   42   8.77 +/- 0.65   0.174% *  0.3142% (0.77   0.02   0.02) =   0.002%
          HN    ILE   19 - QG1   VAL   42   6.14 +/- 0.62   0.786% *  0.0687% (0.17   0.02   0.02) =   0.002%
          HN    LEU   73 - QB    ALA   47  12.74 +/- 0.41   0.012% *  0.2713% (0.67   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QB    ALA   47  15.08 +/- 0.56   0.005% *  0.2713% (0.67   0.02   0.02) =   0.000%
          HN    VAL   42 - QB    ALA   47  15.91 +/- 0.28   0.003% *  0.2713% (0.67   0.02   0.02) =   0.000%
          HN    ILE   19 - QB    ALA   47  13.88 +/- 0.71   0.007% *  0.0593% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 5.13, residual support = 39.9:
          HN    VAL   43 - QG1   VAL   42   2.91 +/- 0.28  99.957% * 99.3938% (0.40   5.13  39.91) = 100.000%  kept
          HN    VAL   43 - QB    ALA   47  13.18 +/- 0.29   0.013% *  0.3350% (0.34   0.02   0.02) =   0.000%
          HN    VAL   24 - QG1   VAL   42  12.79 +/- 0.78   0.016% *  0.1456% (0.15   0.02   0.02) =   0.000%
          HN    VAL   24 - QB    ALA   47  13.22 +/- 0.91   0.014% *  0.1257% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.432, support = 0.02, residual support = 0.02:
          HN    LEU  104 - QG1   VAL   42   8.03 +/- 0.65  99.111% * 53.6601% (0.43   0.02   0.02) =  99.231%  kept
          HN    LEU  104 - QB    ALA   47  17.90 +/- 0.55   0.889% * 46.3399% (0.37   0.02   0.02) =   0.769%  kept
    Distance limit 3.67 A violated in 20 structures by 4.35 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.76, residual support = 16.0:
          HN    TRP   49 - QB    ALA   47   2.83 +/- 0.25  99.237% * 95.0928% (0.29   3.76  15.99) =  99.992%  kept
          HE22  GLN   30 - QG1   VAL   42   7.19 +/- 0.79   0.560% *  0.9116% (0.53   0.02   0.02) =   0.005%
          HD22  ASN   69 - QG1   VAL   42   8.86 +/- 1.33   0.196% *  1.0486% (0.61   0.02   0.02) =   0.002%
          HE22  GLN   30 - QB    ALA   47  16.41 +/- 0.65   0.003% *  1.1903% (0.69   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   42  15.97 +/- 0.50   0.003% *  0.3875% (0.22   0.02   0.02) =   0.000%
          HD22  ASN   69 - QB    ALA   47  22.08 +/- 1.42   0.001% *  1.3691% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.39, support = 2.36, residual support = 10.9:
      O   HN    ALA   47 - QB    ALA   47   2.42 +/- 0.12  92.894% * 93.4110% (0.39  10.0   2.36  10.99) =  99.491%  kept
          QD    PHE   95 - QG1   VAL   42   3.86 +/- 0.40   7.050% *  6.2982% (0.70   1.0   0.75   1.43) =   0.509%  kept
          QD    PHE   95 - QB    ALA   47   8.77 +/- 0.73   0.048% *  0.2193% (0.91   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QG1   VAL   42  11.79 +/- 0.29   0.007% *  0.0715% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.599, support = 2.88, residual support = 23.7:
          HB    VAL   42 - QG1   VAL   43   5.14 +/- 0.41   7.475% * 63.3215% (0.62  1.00   4.72  39.91) =  54.627%  kept
          HG    LEU   98 - QG1   VAL   43   4.21 +/- 1.38  53.558% *  4.4486% (0.58  1.00   0.35   0.25) =  27.497%  kept
        T HB3   LEU   73 - QG1   VAL   43   4.63 +/- 1.29  35.450% *  2.9832% (0.69 10.00   0.02   8.01) =  12.205%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.78 +/- 0.51   1.830% * 26.6219% (0.34  1.00   3.63  15.39) =   5.623%  kept
          HG3   LYS+ 106 - QG1   VAL   43   8.54 +/- 0.76   0.426% *  0.3693% (0.85  1.00   0.02   0.02) =   0.018%
          QB    ALA   84 - QG1   VAL   43   8.52 +/- 0.61   0.417% *  0.2983% (0.69  1.00   0.02   0.02) =   0.014%
          HG3   LYS+  33 - QG1   VAL   43  10.06 +/- 1.12   0.137% *  0.2368% (0.54  1.00   0.02   0.02) =   0.004%
          HB3   LEU   80 - QG1   VAL   43   8.56 +/- 0.75   0.405% *  0.0773% (0.18  1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 102 - QG1   VAL   43  11.00 +/- 1.16   0.083% *  0.3126% (0.72  1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - QG1   VAL   43  11.37 +/- 0.68   0.066% *  0.3126% (0.72  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - QG1   VAL   43  10.31 +/- 0.59   0.118% *  0.1085% (0.25  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QG1   VAL   43  14.71 +/- 0.94   0.014% *  0.2681% (0.62  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG1   VAL   43  15.93 +/- 1.09   0.009% *  0.2054% (0.47  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QG1   VAL   43  18.42 +/- 1.20   0.004% *  0.3386% (0.78  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   43  16.13 +/- 1.51   0.010% *  0.0973% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.273, support = 1.44, residual support = 6.14:
        T HH2   TRP   27 - QG1   VAL   43   2.40 +/- 0.49  53.923% * 56.2170% (0.31 10.00   1.41   6.14) =  60.042%  kept
        T HZ3   TRP   27 - QG1   VAL   43   2.55 +/- 0.73  46.077% * 43.7830% (0.22 10.00   1.50   6.14) =  39.958%  kept
    Distance limit 2.88 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 = 5.24, residual support = 60.5:
          HN    VAL   43 - QG1   VAL   43   2.29 +/- 0.40 100.000% *100.0000% (0.80   5.24  60.52) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.386, support = 3.67, residual support = 15.4:
          HN    ASP-  44 - QG2   VAL   43   2.97 +/- 0.32  90.408% * 83.4339% (0.39   3.71  15.39) =  98.468%  kept
          HN    ASN   28 - QD2   LEU   31   4.85 +/- 0.65   7.870% * 14.8160% (0.18   1.41  17.20) =   1.522%  kept
          HN    ASN   28 - QG2   VAL   43   6.91 +/- 0.69   0.811% *  0.7338% (0.63   0.02   0.02) =   0.008%
          HN    GLU-  25 - QG2   VAL   43   8.85 +/- 0.78   0.175% *  0.4182% (0.36   0.02   0.02) =   0.001%
          HN    ASP-  44 - QD2   LEU   31   7.34 +/- 0.59   0.514% *  0.1291% (0.11   0.02   0.02) =   0.001%
          HN    GLU-  25 - QD2   LEU   31   8.60 +/- 0.60   0.191% *  0.1200% (0.10   0.02   0.02) =   0.000%
          HN    ASN   69 - QG2   VAL   43  13.43 +/- 0.49   0.014% *  0.2712% (0.23   0.02   0.02) =   0.000%
          HN    ASN   69 - QD2   LEU   31  13.07 +/- 0.92   0.017% *  0.0778% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.23, residual support = 60.5:
      O   HN    VAL   43 - HB    VAL   43   2.89 +/- 0.28 100.000% *100.0000% (0.87  10.0   4.23  60.52) = 100.000%  kept
    Distance limit 3.38 A violated in 0 structures by 0.02 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   3.70 +/- 0.31 100.000% *100.0000% (0.51   1.50  16.41) = 100.000%  kept
    Distance limit 3.65 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.41, residual support = 19.2:
        T QD    PHE   45 - HB3   ASP-  44   4.45 +/- 0.07 100.000% *100.0000% (0.80 10.00   4.41  19.23) = 100.000%  kept
    Distance limit 3.73 A violated in 1 structures by 0.72 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.71, residual support = 37.8:
      O   HN    ASP-  44 - HB3   ASP-  44   3.60 +/- 0.35  99.959% * 99.8560% (0.98  10.0   3.71  37.81) = 100.000%  kept
          HN    GLU-  25 - HB3   ASP-  44  15.72 +/- 0.98   0.016% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASP-  44  14.46 +/- 0.92   0.025% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 2.14, residual support = 3.76:
          HA    LYS+  74 - HB2   ASP-  44   3.43 +/- 0.35  99.907% * 92.5045% (0.92  1.00   2.14   3.76) =  99.992%  kept
        T HA    MET   92 - HB2   ASP-  44  11.70 +/- 0.87   0.093% *  7.4955% (0.80 10.00   0.02   0.02) =   0.008%
    Distance limit 3.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2602 (8.78, 2.27, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.03, residual support = 37.8:
      O   HN    ASP-  44 - HB2   ASP-  44   2.77 +/- 0.34  99.985% * 99.8560% (0.98  10.0   3.03  37.81) = 100.000%  kept
          HN    GLU-  25 - HB2   ASP-  44  14.83 +/- 0.76   0.005% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASP-  44  13.51 +/- 0.65   0.009% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.501, support = 3.9, residual support = 28.9:
      O   HN    ASP-  44 - HA    ASP-  44   2.92 +/- 0.00  19.212% * 81.9551% (0.80  10.0   3.77  37.81) =  52.094%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.30 +/- 0.02  80.777% * 17.9245% (0.18  10.0   4.04  19.23) =  47.906%  kept
          HN    ALA  110 - HA    ASP-  44  10.75 +/- 1.46   0.010% *  0.0349% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    ASP-  44  14.91 +/- 0.79   0.001% *  0.0855% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 4.61:
          HA    PHE   95 - HA    ASP-  44   2.48 +/- 0.36 100.000% *100.0000% (0.87   2.00   4.61) = 100.000%  kept
    Distance limit 3.52 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 = 27.1:
        T HB    THR   94 - HB2   PHE   45   2.30 +/- 0.33  99.912% * 98.9931% (0.65 10.00   2.96  27.13) = 100.000%  kept
          QB    SER   85 - HB2   PHE   45  10.59 +/- 0.46   0.016% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   PHE   45  10.28 +/- 0.51   0.018% *  0.1169% (0.76  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   PHE   45  10.36 +/- 0.86   0.019% *  0.0522% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PHE   45   9.72 +/- 0.57   0.028% *  0.0268% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   45  13.92 +/- 0.68   0.003% *  0.0745% (0.49  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PHE   45  18.01 +/- 0.68   0.001% *  0.1413% (0.92  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   45  15.14 +/- 1.10   0.002% *  0.0382% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PHE   45  19.62 +/- 0.62   0.000% *  0.1448% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PHE   45  19.88 +/- 0.78   0.000% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  19.58 +/- 1.12   0.000% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  20.25 +/- 0.68   0.000% *  0.0303% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 1.83, residual support = 8.41:
          QG2   THR   77 - HB2   PHE   45   3.89 +/- 0.37  95.805% * 94.3281% (0.45   1.84   8.41) =  99.959%  kept
          QG2   ILE   56 - HB2   PHE   45   7.94 +/- 1.89   2.863% *  1.0280% (0.45   0.02   0.02) =   0.033%
          QB    ALA   88 - HB2   PHE   45   8.51 +/- 0.65   1.177% *  0.3538% (0.15   0.02   0.02) =   0.005%
          QG2   THR   23 - HB2   PHE   45  12.27 +/- 0.73   0.110% *  2.1691% (0.95   0.02   0.02) =   0.003%
          QB    ALA   34 - HB2   PHE   45  14.43 +/- 0.45   0.044% *  1.4834% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HB2   PHE   45  24.38 +/- 1.11   0.002% *  0.6376% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 1 structures by 0.30 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 0.75, residual support = 12.2:
        T QG2   ILE   89 - HB2   PHE   45   2.65 +/- 0.42  99.896% * 99.8023% (1.00 10.00   0.75  12.19) = 100.000%  kept
          QG1   VAL   83 - HB2   PHE   45   9.26 +/- 0.59   0.097% *  0.1510% (0.57  1.00   0.02   1.46) =   0.000%
          QD1   LEU  104 - HB2   PHE   45  14.48 +/- 1.10   0.006% *  0.0467% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.25, residual support = 8.41:
          QG2   THR   77 - HB3   PHE   45   2.72 +/- 0.31  99.320% * 96.7442% (0.87   2.25   8.41) =  99.998%  kept
          QB    ALA   88 - HB3   PHE   45   8.80 +/- 0.62   0.129% *  0.9826% (0.99   0.02   0.02) =   0.001%
          HB3   LEU   80 - HB3   PHE   45   7.07 +/- 0.99   0.543% *  0.1962% (0.20   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HB3   PHE   45  15.43 +/- 1.13   0.004% *  0.3721% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   PHE   45  16.15 +/- 0.65   0.003% *  0.3060% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   PHE   45  20.65 +/- 0.63   0.001% *  0.6413% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   PHE   45  24.55 +/- 0.49   0.000% *  0.7576% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 0.75, residual support = 12.2:
        T QG2   ILE   89 - HB3   PHE   45   2.46 +/- 0.51 100.000% *100.0000% (0.69 10.00   0.75  12.19) = 100.000%  kept
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.23, residual support = 80.4:
      O   QD    PHE   45 - HB2   PHE   45   2.65 +/- 0.04  99.996% * 99.6976% (0.65  10.0   4.23  80.40) = 100.000%  kept
          HD2   HIS  122 - HB2   PHE   45  15.39 +/- 0.90   0.003% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB2   PHE   45  19.47 +/- 1.62   0.001% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   PHE   45  19.81 +/- 1.46   0.001% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2611 (8.75, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.68, residual support = 80.4:
      O   HN    PHE   45 - HB2   PHE   45   2.46 +/- 0.09  99.582% * 99.8082% (0.73  10.0   3.68  80.40) = 100.000%  kept
          HN    ASP-  44 - HB2   PHE   45   6.27 +/- 0.23   0.370% *  0.0306% (0.22   1.0   0.02  19.23) =   0.000%
          HN    ALA  110 - HB2   PHE   45   9.35 +/- 1.22   0.045% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PHE   45  14.44 +/- 0.93   0.003% *  0.0343% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.94, residual support = 80.4:
      O   QD    PHE   45 - HB3   PHE   45   2.30 +/- 0.09  99.999% * 99.6976% (0.65  10.0   4.94  80.40) = 100.000%  kept
          HD2   HIS  122 - HB3   PHE   45  16.89 +/- 0.84   0.001% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB3   PHE   45  20.95 +/- 1.67   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   PHE   45  19.65 +/- 1.62   0.000% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2613 (8.75, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.01, residual support = 80.4:
      O   HN    PHE   45 - HB3   PHE   45   3.61 +/- 0.06  97.271% * 99.8082% (0.73  10.0   4.01  80.40) =  99.999%  kept
          HN    ASP-  44 - HB3   PHE   45   6.67 +/- 0.12   2.499% *  0.0306% (0.22   1.0   0.02  19.23) =   0.001%
          HN    ALA  110 - HB3   PHE   45  10.65 +/- 1.20   0.183% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB3   PHE   45  13.23 +/- 0.96   0.047% *  0.0343% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 3.94:
          HA    ASP-  76 - QG2   THR   46   2.99 +/- 0.72 100.000% *100.0000% (0.41   1.21   3.94) = 100.000%  kept
    Distance limit 3.26 A violated in 1 structures by 0.16 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   2.31 +/- 0.29  99.736% * 97.6986% (0.76   3.39  34.52) =  99.998%  kept
          HN    LYS+  74 - QG2   THR   46   6.73 +/- 0.64   0.203% *  0.7550% (1.00   0.02   0.12) =   0.002%
          HN    MET   92 - QG2   THR   46   8.45 +/- 0.51   0.059% *  0.4274% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   46  14.60 +/- 1.34   0.003% *  0.4884% (0.65   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   46  24.93 +/- 1.99   0.000% *  0.6306% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.96 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   3.09 +/- 0.50  98.539% * 97.9532% (0.25   3.21  12.69) =  99.969%  kept
          QD    PHE   95 - QG2   THR   46   7.54 +/- 0.89   1.461% *  2.0468% (0.84   0.02   0.02) =   0.031%
    Distance limit 3.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.299, support = 0.742, residual support = 0.293:
          QB    CYS   50 - QG2   THR   46   4.71 +/- 1.31  28.606% * 75.8543% (0.31   0.99   0.37) =  68.947%  kept
          QE    LYS+  74 - QG2   THR   46   3.33 +/- 1.00  71.227% * 13.7103% (0.28   0.20   0.12) =  31.029%  kept
          HB2   PHE   72 - QG2   THR   46  10.01 +/- 0.78   0.131% *  4.9681% (1.00   0.02   0.02) =   0.021%
          HA    ALA   64 - QG2   THR   46  11.92 +/- 0.99   0.033% *  2.0470% (0.41   0.02   0.02) =   0.002%
          HB3   ASN   69 - QG2   THR   46  18.72 +/- 0.98   0.002% *  3.4202% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.08 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 = 9.66:
      O   HN    SER   48 - HA    SER   48   2.77 +/- 0.04  99.995% * 99.9333% (0.49  10.0   2.61   9.66) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  14.79 +/- 1.03   0.005% *  0.0439% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  24.27 +/- 0.50   0.000% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 9.66:
      O   HN    SER   48 - QB    SER   48   2.32 +/- 0.19  99.996% * 99.9496% (0.95  10.0   2.61   9.66) = 100.000%  kept
          HN    SER   48 - QB    SER   85  13.04 +/- 1.29   0.004% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  20.99 +/- 1.30   0.000% *  0.0260% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2621 (6.63, 3.69, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.936, support = 4.0, residual support = 73.6:
      O   HN    TRP   49 - HB2   TRP   49   3.57 +/- 0.07  69.838% * 97.0278% (0.95  10.0   4.00  74.54) =  98.744%  kept
          HN    CYS   50 - HB2   TRP   49   4.14 +/- 0.44  30.162% *  2.8572% (0.15   1.0   3.61   3.41) =   1.256%  kept
          HE22  GLN   30 - HB2   TRP   49  24.79 +/- 1.20   0.001% *  0.0947% (0.92   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  31.41 +/- 2.21   0.000% *  0.0203% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2622 (7.36, 3.69, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 3.84, residual support = 74.5:
      O   HD1   TRP   49 - HB2   TRP   49   3.62 +/- 0.48  99.993% * 99.6923% (0.80  10.0   3.84  74.54) = 100.000%  kept
          HD2   HIS   22 - HB2   TRP   49  24.50 +/- 1.24   0.001% *  0.1149% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   TRP   49  19.53 +/- 0.97   0.005% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   TRP   49  25.26 +/- 1.67   0.001% *  0.0558% (0.45   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   TRP   49  34.22 +/- 1.35   0.000% *  0.1178% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.37 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 4.0, residual support = 74.5:
      O   HN    TRP   49 - HB3   TRP   49   2.67 +/- 0.36  91.637% * 99.8654% (0.79  10.0   4.00  74.54) =  99.999%  kept
          HN    CYS   50 - HB3   TRP   49   4.14 +/- 0.22   8.363% *  0.0163% (0.13   1.0   0.02   3.41) =   0.001%
          HE22  GLN   30 - HB3   TRP   49  24.19 +/- 1.06   0.000% *  0.0975% (0.77   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  31.40 +/- 2.18   0.000% *  0.0209% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2624 (7.36, 3.15, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 3.84, residual support = 74.5:
      O   HD1   TRP   49 - HB3   TRP   49   3.38 +/- 0.19  99.994% * 99.6923% (0.67  10.0   3.84  74.54) = 100.000%  kept
          HD2   HIS   22 - HB3   TRP   49  23.70 +/- 1.12   0.001% *  0.1149% (0.77   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  18.59 +/- 0.95   0.004% *  0.0192% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   49  25.51 +/- 1.82   0.001% *  0.0558% (0.37   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  33.46 +/- 1.35   0.000% *  0.1178% (0.79   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2625 (2.64, 3.15, 29.61 ppm):
    3 chemical-shift based assignments, quality = 0.724, support = 0.02, residual support = 3.46:
          HB2   PRO   52 - HB3   TRP   49   9.55 +/- 0.64  98.415% * 45.9163% (0.72   0.02   3.49) =  98.987%  kept
          HB2   ASP-  62 - HB3   TRP   49  21.67 +/- 1.86   0.882% * 45.9163% (0.72   0.02   0.02) =   0.887%  kept
          HG2   MET   96 - HB3   TRP   49  22.18 +/- 1.03   0.703% *  8.1674% (0.13   0.02   0.02) =   0.126%
    Distance limit 3.76 A violated in 20 structures by 5.77 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.485, support = 0.02, residual support = 0.02:
          HB3   PHE   45 - HB3   TRP   49  12.46 +/- 0.42  56.207% * 16.1708% (0.47   0.02   0.02) =  56.479%  kept
          QG    GLU-  79 - HB3   TRP   49  14.28 +/- 1.00  26.552% * 13.9029% (0.41   0.02   0.02) =  22.938%  kept
          QE    LYS+ 112 - HB3   TRP   49  16.62 +/- 1.71  11.460% * 16.1708% (0.47   0.02   0.02) =  11.515%  kept
          HB    VAL  107 - HB3   TRP   49  18.84 +/- 1.31   5.023% * 27.0190% (0.79   0.02   0.02) =   8.433%  kept
          QG    GLN   32 - HB3   TRP   49  28.74 +/- 1.16   0.382% * 22.8711% (0.67   0.02   0.02) =   0.543%  kept
          HG2   GLU-  29 - HB3   TRP   49  28.86 +/- 1.13   0.376% *  3.8655% (0.11   0.02   0.02) =   0.090%
    Distance limit 3.82 A violated in 20 structures by 7.49 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.54, residual support = 6.97:
          QB    ALA   47 - QB    CYS   50   3.80 +/- 0.32  99.752% * 98.7949% (0.65   3.54   6.97) =  99.999%  kept
          QB    ALA   64 - QB    CYS   50  11.83 +/- 1.05   0.118% *  0.5586% (0.65   0.02   0.02) =   0.001%
          QG1   VAL   42 - QB    CYS   50  12.74 +/- 0.96   0.073% *  0.4543% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QB    CYS   50  13.89 +/- 1.70   0.057% *  0.1922% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 1 structures by 0.32 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 1.51, residual support = 8.14:
        T HB2   CYS   53 - QB    CYS   50   3.15 +/- 0.67  93.953% * 89.6190% (1.00 10.00   1.50   8.20) =  99.322%  kept
          HD3   PRO   52 - QB    CYS   50   5.77 +/- 0.69   5.683% * 10.1060% (0.73  1.00   2.32   0.02) =   0.677%  kept
          HD2   PRO   58 - QB    CYS   50   8.78 +/- 1.02   0.353% *  0.0583% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - QB    CYS   50  17.19 +/- 0.81   0.005% *  0.0492% (0.41  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    CYS   50  21.61 +/- 1.37   0.001% *  0.0959% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    CYS   50  18.03 +/- 0.83   0.004% *  0.0267% (0.22  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  26.12 +/- 1.17   0.000% *  0.0449% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.799, support = 1.24, residual support = 7.01:
      O   HN    CYS   50 - QB    CYS   50   2.87 +/- 0.16  94.860% * 86.0494% (0.80  10.0   1.23   7.04) =  99.136%  kept
          HN    TRP   49 - QB    CYS   50   4.68 +/- 0.16   5.135% * 13.8475% (0.65   1.0   2.45   3.41) =   0.864%  kept
          HN    VAL   83 - QB    CYS   50  16.05 +/- 0.83   0.003% *  0.0595% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    CYS   50  18.44 +/- 1.53   0.002% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2630 (3.94, 4.27, 48.66 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.81, residual support = 9.97:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  99.989% * 97.0144% (0.87  10.0 10.00   2.81   9.98) = 100.000%  kept
        T QB    SER   48 - HA1   GLY   51   8.30 +/- 0.58   0.010% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA1   GLY   51  18.04 +/- 1.03   0.000% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA1   GLY   51  19.01 +/- 1.15   0.000% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA1   GLY   51  13.82 +/- 0.44   0.000% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  15.88 +/- 0.84   0.000% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  24.49 +/- 1.15   0.000% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  23.37 +/- 0.72   0.000% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  26.34 +/- 1.27   0.000% *  0.1032% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  26.67 +/- 0.87   0.000% *  0.0724% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2631 (3.34, 2.63, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.976, support = 1.25, residual support = 8.56:
          HD3   PRO   93 - HB2   PRO   52   3.07 +/- 1.34  80.646% * 13.3724% (0.98   0.75   1.02) =  75.854%  kept
          HB3   CYS   53 - HB2   PRO   52   5.54 +/- 0.71   2.747% * 76.8988% (0.99   4.27  52.41) =  14.859%  kept
          QB    PHE   55 - HB2   PRO   52   4.33 +/- 0.36  16.106% *  8.1877% (0.92   0.49   0.02) =   9.276%  kept
          HD2   ARG+  54 - HB2   PRO   52   9.09 +/- 0.71   0.428% *  0.3511% (0.97   0.02   1.76) =   0.011%
          HB2   PHE   59 - HB2   PRO   52  11.05 +/- 1.21   0.043% *  0.2499% (0.69   0.02   0.02) =   0.001%
          HD3   PRO   93 - HG2   MET   96  14.76 +/- 0.68   0.011% *  0.1048% (0.29   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   96  15.23 +/- 1.16   0.007% *  0.0734% (0.20   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   96  16.73 +/- 1.50   0.004% *  0.1059% (0.29   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   96  16.68 +/- 0.87   0.003% *  0.0987% (0.27   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   MET   96  17.43 +/- 1.29   0.003% *  0.1031% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   PRO   52  23.57 +/- 1.46   0.000% *  0.3511% (0.97   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   MET   96  23.54 +/- 1.32   0.001% *  0.1031% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.41, support = 0.839, residual support = 2.37:
        T HD3   PRO   93 - HB3   PRO   52   4.16 +/- 0.77  63.419% * 67.7625% (0.41 10.00   0.75   1.02) =  94.437%  kept
          QB    PHE   55 - HB3   PRO   52   4.66 +/- 0.40  30.717% *  4.2415% (0.53  1.00   0.37   0.02) =   2.863%  kept
          HB3   CYS   53 - HB3   PRO   52   6.40 +/- 0.67   4.974% * 24.5810% (0.25  1.00   4.49  52.41) =   2.687%  kept
        T HD2   ARG+  54 - HB3   PRO   52   9.13 +/- 0.78   0.678% *  0.8698% (0.20 10.00   0.02   1.76) =   0.013%
          HB2   PHE   59 - HB3   PRO   52  12.06 +/- 1.43   0.105% *  0.3520% (0.80  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   68 - HB3   PRO   52  24.76 +/- 1.61   0.001% *  1.9706% (0.45 10.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - QB    LYS+  81  14.28 +/- 1.18   0.045% *  0.0207% (0.05  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - QB    LYS+  81  14.38 +/- 1.42   0.040% *  0.0126% (0.03  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - QB    LYS+  81  20.27 +/- 1.54   0.005% *  0.0998% (0.02 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - QB    LYS+  81  17.20 +/- 0.90   0.012% *  0.0265% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - QB    LYS+  81  21.09 +/- 1.09   0.004% *  0.0404% (0.09  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QB    LYS+  81  26.76 +/- 1.19   0.001% *  0.0226% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.634, support = 0.238, residual support = 0.0198:
          HB3   LEU  115 - HB2   PRO   52   9.99 +/- 1.32   4.549% * 42.9230% (0.84   0.30   0.02) =  64.158%  kept
          QB    ALA  110 - HB2   PRO   52   3.90 +/- 2.11  87.463% *  0.9397% (0.28   0.02   0.02) =  27.007%  kept
          HG2   LYS+ 102 - HG2   MET   96  11.15 +/- 1.26   0.758% * 27.2493% (0.29   0.55   0.02) =   6.790%  kept
          HG    LEU  115 - HB2   PRO   52  11.21 +/- 1.46   1.879% *  0.9397% (0.28   0.02   0.02) =   0.580%  kept
          HG    LEU   40 - HG2   MET   96   9.95 +/- 0.80   1.872% *  0.8293% (0.25   0.02   0.02) =   0.510%  kept
          HG    LEU   73 - HG2   MET   96  10.86 +/- 1.29   0.811% *  0.9581% (0.28   0.02   0.02) =   0.255%
          QB    ALA   61 - HB2   PRO   52  12.59 +/- 0.65   0.404% *  1.6451% (0.49   0.02   0.02) =   0.218%
          HB3   LEU  115 - HG2   MET   96  13.91 +/- 1.64   0.291% *  0.8293% (0.25   0.02   0.02) =   0.079%
          HB3   LEU   67 - HG2   MET   96  14.63 +/- 1.90   0.227% *  0.6422% (0.19   0.02   0.02) =   0.048%
          HG    LEU   67 - HG2   MET   96  14.67 +/- 1.97   0.195% *  0.7209% (0.21   0.02   0.02) =   0.046%
          QB    ALA  110 - HG2   MET   96  13.01 +/- 0.77   0.483% *  0.2760% (0.08   0.02   0.02) =   0.044%
          QG    LYS+  66 - HB2   PRO   52  18.26 +/- 1.39   0.046% *  2.8229% (0.84   0.02   0.02) =   0.043%
          QB    ALA  120 - HB2   PRO   52  16.27 +/- 1.08   0.106% *  0.9397% (0.28   0.02   0.02) =   0.033%
          HG    LEU   73 - HB2   PRO   52  19.94 +/- 0.91   0.029% *  3.2616% (0.97   0.02   0.02) =   0.031%
          QG    LYS+  66 - HG2   MET   96  16.54 +/- 1.05   0.102% *  0.8293% (0.25   0.02   0.02) =   0.028%
          QB    ALA   61 - HG2   MET   96  15.23 +/- 0.50   0.133% *  0.4832% (0.14   0.02   0.02) =   0.021%
          HG    LEU   80 - HB2   PRO   52  18.03 +/- 1.29   0.053% *  1.0431% (0.31   0.02   0.02) =   0.018%
          QB    ALA  120 - HG2   MET   96  14.58 +/- 0.84   0.165% *  0.2760% (0.08   0.02   0.02) =   0.015%
          HG    LEU   80 - HG2   MET   96  14.28 +/- 1.14   0.148% *  0.3064% (0.09   0.02   0.02) =   0.015%
          HG    LEU   67 - HB2   PRO   52  22.07 +/- 2.05   0.017% *  2.4541% (0.73   0.02   0.02) =   0.013%
          HB3   LEU   67 - HB2   PRO   52  21.80 +/- 1.20   0.016% *  2.1863% (0.65   0.02   0.02) =   0.011%
          HG    LEU  115 - HG2   MET   96  15.87 +/- 1.60   0.118% *  0.2760% (0.08   0.02   0.02) =   0.011%
          HG    LEU   40 - HB2   PRO   52  23.08 +/- 1.12   0.011% *  2.8229% (0.84   0.02   0.02) =   0.010%
          HG12  ILE   19 - HG2   MET   96  16.32 +/- 1.55   0.108% *  0.2210% (0.07   0.02   0.02) =   0.008%
          HG2   LYS+ 102 - HB2   PRO   52  27.75 +/- 1.77   0.003% *  3.3722% (1.00   0.02   0.02) =   0.004%
          HG12  ILE   19 - HB2   PRO   52  22.87 +/- 1.27   0.014% *  0.7524% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.07 A violated in 6 structures by 0.90 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2634 (1.34, 3.98, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.635, support = 0.0199, residual support = 0.734:
          HB3   PRO   93 - HD2   PRO   52   7.46 +/- 0.88  79.252% *  5.3763% (0.65  1.00   0.02   1.02) =  71.608%  kept
        T QB    ALA   88 - HD2   PRO   52  13.32 +/- 1.39   3.554% * 14.5547% (0.18 10.00   0.02   0.02) =   8.693%  kept
          QB    ALA   84 - HD2   PRO   52  11.13 +/- 0.73   8.464% *  5.7087% (0.69  1.00   0.02   0.02) =   8.121%  kept
          HB3   ASP-  44 - HD2   PRO   52  12.68 +/- 0.85   3.720% *  8.1462% (0.98  1.00   0.02   0.02) =   5.092%  kept
          HG2   LYS+ 111 - HD2   PRO   52  13.60 +/- 1.17   2.705% *  6.9417% (0.84  1.00   0.02   0.02) =   3.156%  kept
          HB3   LEU   80 - HD2   PRO   52  16.03 +/- 1.19   0.952% *  8.1462% (0.98  1.00   0.02   0.02) =   1.304%  kept
          HB2   LEU   63 - HD2   PRO   52  16.33 +/- 0.95   0.793% *  8.3107% (1.00  1.00   0.02   0.02) =   1.107%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  19.44 +/- 0.78   0.282% * 12.8231% (0.15 10.00   0.02   0.02) =   0.608%  kept
          HG    LEU   98 - HD2   PRO   52  22.02 +/- 1.12   0.130% *  6.6547% (0.80  1.00   0.02   0.02) =   0.145%
          QB    ALA  124 - HD2   PRO   52  24.84 +/- 1.02   0.067% *  7.4533% (0.90  1.00   0.02   0.02) =   0.084%
          HB2   LEU   31 - HD2   PRO   52  26.35 +/- 0.91   0.045% *  7.4533% (0.90  1.00   0.02   0.02) =   0.056%
          HG2   LYS+  99 - HD2   PRO   52  28.62 +/- 0.91   0.027% *  4.7052% (0.57  1.00   0.02   0.02) =   0.021%
          HG2   LYS+  38 - HD2   PRO   52  33.69 +/- 0.74   0.010% *  3.7260% (0.45  1.00   0.02   0.02) =   0.007%
    Distance limit 3.52 A violated in 20 structures by 3.63 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.52, residual support = 223.0:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  99.992% * 97.1447% (0.80  10.0 10.00   7.52 223.05) = 100.000%  kept
        T HA    SER   48 - HD3   PRO   52   8.83 +/- 0.61   0.007% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HD3   PRO   52  20.53 +/- 0.96   0.000% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   PRO   52  16.09 +/- 1.46   0.000% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  16.36 +/- 1.11   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  20.18 +/- 0.76   0.000% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HD3   PRO   52  26.28 +/- 0.61   0.000% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  18.31 +/- 1.40   0.000% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  23.11 +/- 0.62   0.000% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  31.66 +/- 0.74   0.000% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  29.60 +/- 0.76   0.000% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  26.36 +/- 0.82   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  32.65 +/- 0.67   0.000% *  0.0544% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2636 (3.85, 3.98, 51.93 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 7.52, residual support = 223.0:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  99.433% * 98.5557% (0.87  10.0 10.00   7.52 223.05) = 100.000%  kept
          HB2   CYS   53 - HD2   PRO   52   4.39 +/- 0.54   0.565% *  0.0426% (0.38   1.0  1.00   0.02  52.41) =   0.000%
          HA    ILE   89 - HD2   PRO   52  11.76 +/- 1.25   0.001% *  0.0509% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HD2   PRO   52  20.05 +/- 0.78   0.000% *  1.0488% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  16.56 +/- 1.21   0.000% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  26.24 +/- 0.81   0.000% *  0.0910% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  28.21 +/- 1.39   0.000% *  0.0735% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  28.24 +/- 0.94   0.000% *  0.0689% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  31.28 +/- 0.96   0.000% *  0.0509% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2637 (4.28, 3.84, 51.93 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 14.8:
      O   HA1   GLY   51 - HD3   PRO   52   2.32 +/- 0.17  99.972% * 97.0168% (0.76  10.0  1.00   3.95  14.78) = 100.000%  kept
          HB    THR   77 - HD3   PRO   52  10.83 +/- 1.07   0.013% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HD3   PRO   52  10.97 +/- 0.85   0.012% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD3   PRO   52  14.81 +/- 0.55   0.002% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HD3   PRO   52  16.78 +/- 1.30   0.001% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD3   PRO   52  24.53 +/- 0.72   0.000% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD3   PRO   52  17.16 +/- 1.11   0.001% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD3   PRO   52  30.95 +/- 0.60   0.000% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  20.71 +/- 1.09   0.000% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  38.81 +/- 2.30   0.000% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  36.08 +/- 2.06   0.000% *  0.0251% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.29, residual support = 14.8:
      O   HA1   GLY   51 - HD2   PRO   52   3.13 +/- 0.18  99.848% * 92.3448% (0.34  10.0  1.00   5.29  14.78) =  99.999%  kept
          HB    THR   77 - HD2   PRO   52   9.96 +/- 0.92   0.119% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HD2   PRO   52  16.25 +/- 1.26   0.006% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD2   PRO   52  13.34 +/- 0.59   0.018% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD2   PRO   52  23.40 +/- 0.67   0.001% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD2   PRO   52  16.20 +/- 0.98   0.006% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD2   PRO   52  19.98 +/- 1.02   0.002% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD2   PRO   52  29.43 +/- 0.67   0.000% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  28.13 +/- 1.79   0.000% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  24.85 +/- 0.63   0.000% *  0.0418% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD2   PRO   52  37.17 +/- 2.31   0.000% *  0.2701% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  34.43 +/- 2.09   0.000% *  0.1533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 223.0:
      O   HG2   PRO   52 - HD3   PRO   52   2.67 +/- 0.30  97.649% * 99.6603% (0.90  10.0   6.60 223.05) =  99.999%  kept
          HG2   MET   92 - HD3   PRO   52   5.84 +/- 0.87   2.337% *  0.0417% (0.38   1.0   0.02   0.02) =   0.001%
          QG    GLU- 114 - HD3   PRO   52  13.88 +/- 1.71   0.008% *  0.0498% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD3   PRO   52  15.58 +/- 0.95   0.003% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD3   PRO   52  16.92 +/- 1.31   0.002% *  0.0585% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  27.34 +/- 1.32   0.000% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  36.34 +/- 0.99   0.000% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2640 (2.08, 3.84, 51.93 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 6.6, residual support = 223.0:
      O   HG3   PRO   52 - HD3   PRO   52   2.54 +/- 0.30  99.872% * 99.3977% (0.97  10.0  1.00   6.60 223.05) = 100.000%  kept
        T HB2   PRO   93 - HD3   PRO   52   8.76 +/- 1.31   0.123% *  0.2038% (0.20   1.0 10.00   0.02   1.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   52  13.92 +/- 0.95   0.005% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  21.13 +/- 1.34   0.000% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  29.76 +/- 1.70   0.000% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD3   PRO   52  28.51 +/- 1.12   0.000% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  28.24 +/- 0.75   0.000% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  39.37 +/- 2.61   0.000% *  0.0924% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 6.72, residual support = 223.0:
      O   HB3   PRO   52 - HD3   PRO   52   3.62 +/- 0.21  97.642% * 98.5682% (0.57  10.0   6.72 223.05) =  99.997%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.25 +/- 0.48   1.718% *  0.1647% (0.95   1.0   0.02   1.76) =   0.003%
          HB    ILE   56 - HD3   PRO   52   9.76 +/- 1.44   0.470% *  0.0434% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   PRO   52  11.50 +/- 1.30   0.123% *  0.1331% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   PRO   52  14.49 +/- 1.05   0.025% *  0.1196% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   PRO   52  16.03 +/- 0.72   0.014% *  0.1126% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   PRO   52  21.86 +/- 0.86   0.002% *  0.1607% (0.92   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   PRO   52  24.66 +/- 0.86   0.001% *  0.1680% (0.97   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   52  24.48 +/- 1.01   0.001% *  0.0986% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD3   PRO   52  28.05 +/- 1.65   0.001% *  0.1707% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   PRO   52  27.46 +/- 0.65   0.001% *  0.1454% (0.84   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   52  23.54 +/- 0.95   0.001% *  0.0537% (0.31   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  24.95 +/- 0.67   0.001% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  34.59 +/- 0.64   0.000% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 6.1, residual support = 52.4:
          HN    CYS   53 - HD3   PRO   52   3.66 +/- 0.01  99.985% * 99.3018% (0.61   6.10  52.41) = 100.000%  kept
          HN    LEU   80 - HD3   PRO   52  16.48 +/- 0.97   0.013% *  0.2015% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD3   PRO   52  24.31 +/- 1.09   0.001% *  0.3473% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD3   PRO   52  29.62 +/- 0.61   0.000% *  0.1493% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 3.77, residual support = 14.8:
          HN    GLY   51 - HD3   PRO   52   2.68 +/- 0.48  99.997% * 99.5043% (0.92   3.77  14.78) = 100.000%  kept
          HN    VAL  107 - HD3   PRO   52  15.92 +/- 0.72   0.003% *  0.4957% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2644 (7.85, 3.98, 51.93 ppm):
    6 chemical-shift based assignments, quality = 0.609, support = 1.76, residual support = 1.73:
          HN    ARG+  54 - HD2   PRO   52   4.25 +/- 0.19  88.202% * 83.3735% (0.61   1.80   1.76) =  97.960%  kept
          HN    PHE   55 - HD2   PRO   52   5.98 +/- 0.20  11.731% * 13.0520% (0.73   0.23   0.02) =   2.040%  kept
          HN    ASP-  62 - HD2   PRO   52  15.67 +/- 0.71   0.037% *  1.4129% (0.92   0.02   0.02) =   0.001%
          HN    ALA   88 - HD2   PRO   52  16.53 +/- 1.21   0.028% *  0.3816% (0.25   0.02   0.02) =   0.000%
          HN    LEU   31 - HD2   PRO   52  25.29 +/- 0.80   0.002% *  1.4771% (0.97   0.02   0.02) =   0.000%
          HN    LYS+  38 - HD2   PRO   52  32.05 +/- 0.65   0.000% *  0.3029% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 1 structures by 0.59 A, kept.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 8.2, residual support = 52.4:
          HN    CYS   53 - HD2   PRO   52   2.26 +/- 0.02  99.999% * 99.4797% (0.61   8.20  52.41) = 100.000%  kept
          HN    LEU   80 - HD2   PRO   52  15.33 +/- 0.88   0.001% *  0.1502% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD2   PRO   52  22.92 +/- 1.05   0.000% *  0.2589% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  28.10 +/- 0.70   0.000% *  0.1113% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 8.19:
          QB    CYS   50 - HB3   CYS   53   3.69 +/- 0.66  97.688% * 96.8478% (0.92   1.50   8.20) =  99.969%  kept
          QE    LYS+  74 - HB3   CYS   53   7.84 +/- 0.97   2.156% *  1.3233% (0.95   0.02   0.02) =   0.030%
          HB3   ASP-  78 - HB3   CYS   53  12.27 +/- 1.32   0.126% *  0.7920% (0.57   0.02   0.02) =   0.001%
          HB2   PHE   72 - HB3   CYS   53  15.42 +/- 1.09   0.028% *  0.2450% (0.18   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB3   CYS   53  24.68 +/- 1.09   0.002% *  0.7920% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2648 (2.80, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.2:
        T QB    CYS   50 - HB2   CYS   53   3.15 +/- 0.67  99.196% * 99.6254% (0.92 10.00   1.50   8.20) =  99.999%  kept
          QE    LYS+  74 - HB2   CYS   53   8.15 +/- 1.13   0.750% *  0.1291% (0.90  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB2   CYS   53  12.62 +/- 1.53   0.041% *  0.0252% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HB2   CYS   53  15.63 +/- 1.57   0.012% *  0.0815% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   CYS   53  24.88 +/- 1.53   0.001% *  0.1389% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2650 (1.26, 4.17, 63.73 ppm):
    10 chemical-shift based assignments, quality = 0.944, support = 0.02, residual support = 0.02:
        T QG2   ILE   56 - HA    CYS   53   3.24 +/- 1.09  97.998% * 41.1882% (0.95 10.00   0.02   0.02) =  99.831%  kept
          QB    ALA   91 - HA    CYS   53   8.35 +/- 0.95   1.400% *  3.9049% (0.90  1.00   0.02   0.02) =   0.135%
          HG2   LYS+  74 - HA    CYS   53  10.82 +/- 0.86   0.540% *  1.4852% (0.34  1.00   0.02   0.02) =   0.020%
        T HG13  ILE   19 - HA    CYS   53  19.33 +/- 1.00   0.016% * 24.6510% (0.57 10.00   0.02   0.02) =   0.010%
        T HG    LEU   71 - HA    CYS   53  21.44 +/- 1.83   0.005% * 13.4389% (0.31 10.00   0.02   0.02) =   0.002%
          QG2   THR   23 - HA    CYS   53  17.86 +/- 1.13   0.024% *  1.9521% (0.45  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    CYS   53  20.37 +/- 0.84   0.007% *  3.9049% (0.90  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    CYS   53  20.19 +/- 0.89   0.008% *  3.4865% (0.80  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    CYS   53  24.98 +/- 1.29   0.002% *  1.6341% (0.38  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    CYS   53  30.72 +/- 1.33   0.001% *  4.3541% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 3 structures by 0.39 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 = 4.78, residual support = 43.4:
      O   HN    CYS   53 - HA    CYS   53   2.74 +/- 0.03  99.997% * 99.7861% (0.61  10.0   4.78  43.36) = 100.000%  kept
          HN    LEU   80 - HA    CYS   53  16.04 +/- 0.87   0.003% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    CYS   53  22.24 +/- 1.00   0.000% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  25.49 +/- 1.05   0.000% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 43.4:
      O   HN    CYS   53 - HB2   CYS   53   2.72 +/- 0.42  99.994% * 99.7861% (0.61  10.0   4.92  43.36) = 100.000%  kept
          HN    LEU   80 - HB2   CYS   53  14.85 +/- 1.33   0.006% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HB2   CYS   53  21.28 +/- 1.47   0.001% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  25.62 +/- 1.54   0.000% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 5.5, residual support = 32.2:
          HN    ARG+  54 - HB2   CYS   53   3.24 +/- 0.22  93.647% * 98.9872% (0.97   5.50  32.22) =  99.992%  kept
          HN    PHE   55 - HB2   CYS   53   5.11 +/- 0.14   6.302% *  0.1150% (0.31   0.02   0.02) =   0.008%
          HN    ASP-  62 - HB2   CYS   53  11.90 +/- 1.10   0.050% *  0.3525% (0.95   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   CYS   53  23.23 +/- 1.59   0.001% *  0.3342% (0.90   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   CYS   53  29.43 +/- 1.48   0.000% *  0.2110% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 5.36, residual support = 32.2:
          HN    ARG+  54 - HB3   CYS   53   3.78 +/- 0.28  99.888% * 99.1731% (0.87   5.36  32.22) = 100.000%  kept
          HN    ASP-  62 - HB3   CYS   53  12.06 +/- 0.62   0.109% *  0.2243% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   CYS   53  22.66 +/- 1.44   0.003% *  0.1911% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   CYS   53  28.93 +/- 1.32   0.001% *  0.4115% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.67, residual support = 158.7:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.80 +/- 0.19  94.393% * 99.8484% (0.87  10.0 10.00   4.67 158.67) =  99.999%  kept
          QB    ALA   57 - HD2   ARG+  54   5.49 +/- 1.27   5.604% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD2   ARG+  54  16.92 +/- 1.77   0.003% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   ARG+  54  23.97 +/- 2.28   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  28.81 +/- 1.97   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.58, residual support = 158.7:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  99.940% * 99.6886% (0.87  10.0 10.00   3.58 158.67) = 100.000%  kept
          QB    PHE   55 - HD3   ARG+  54   6.94 +/- 0.79   0.040% *  0.0559% (0.49   1.0  1.00   0.02   3.18) =   0.000%
          HB3   CYS   53 - HD3   ARG+  54   7.77 +/- 0.86   0.017% *  0.0920% (0.80   1.0  1.00   0.02  32.22) =   0.000%
          HD3   PRO   93 - HD3   ARG+  54  10.99 +/- 1.01   0.002% *  0.0697% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  12.71 +/- 1.70   0.001% *  0.0287% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HD3   ARG+  54  24.10 +/- 2.76   0.000% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2657 (3.24, 3.34, 43.59 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.58, residual support = 158.7:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00 100.000% * 99.9131% (1.00  10.0 10.00   3.58 158.67) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  26.90 +/- 1.95   0.000% *  0.0869% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2658 (1.61, 3.25, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.74, residual support = 158.7:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.77 +/- 0.25  94.097% * 99.8484% (0.87  10.0 10.00   3.74 158.67) =  99.999%  kept
          QB    ALA   57 - HD3   ARG+  54   5.56 +/- 1.46   5.900% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD3   ARG+  54  17.69 +/- 1.85   0.002% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   ARG+  54  24.50 +/- 2.30   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  28.49 +/- 2.28   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.487, support = 3.89, residual support = 158.7:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.43 +/- 0.21  99.935% * 97.6350% (0.49  10.0 10.00   3.89 158.67) = 100.000%  kept
          HB    ILE   56 - HD3   ARG+  54   9.99 +/- 0.90   0.026% *  0.1988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD3   ARG+  54  10.77 +/- 2.04   0.030% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   ARG+  54  13.22 +/- 1.54   0.007% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   ARG+  54  18.72 +/- 1.17   0.001% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   ARG+  54  25.97 +/- 2.95   0.000% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   ARG+  54  19.54 +/- 1.16   0.000% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   ARG+  54  19.84 +/- 1.67   0.000% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  23.77 +/- 1.40   0.000% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  26.98 +/- 2.11   0.000% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  28.44 +/- 2.07   0.000% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  28.56 +/- 1.34   0.000% *  0.0899% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  35.71 +/- 2.27   0.000% *  0.1852% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2660 (2.04, 3.25, 43.59 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 4.04, residual support = 158.7:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.35 +/- 0.40  99.882% * 99.0727% (0.73  10.0   4.04 158.67) = 100.000%  kept
          HB2   PRO   93 - HD3   ARG+  54  11.80 +/- 1.90   0.091% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   ARG+  54  18.33 +/- 1.39   0.005% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HD3   ARG+  54  16.47 +/- 1.69   0.011% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   ARG+  54  19.05 +/- 1.32   0.004% *  0.1092% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  19.96 +/- 2.59   0.004% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   ARG+  54  25.24 +/- 2.46   0.001% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   ARG+  54  27.08 +/- 2.17   0.000% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HD3   ARG+  54  27.68 +/- 2.19   0.000% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  23.89 +/- 2.15   0.001% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  34.76 +/- 2.10   0.000% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  28.95 +/- 1.99   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 4.97, residual support = 158.7:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  99.981% * 97.1361% (0.92  10.0 10.00   4.97 158.67) = 100.000%  kept
          HB    ILE   56 - HG3   ARG+  54   9.20 +/- 0.88   0.006% *  0.0681% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   ARG+  54   8.32 +/- 0.79   0.011% *  0.0208% (0.20   1.0  1.00   0.02   1.76) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  12.14 +/- 1.38   0.001% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  17.64 +/- 1.52   0.000% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HG3   ARG+  54  25.79 +/- 1.91   0.000% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  19.06 +/- 1.76   0.000% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  18.74 +/- 0.86   0.000% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   ARG+  54  27.99 +/- 1.69   0.000% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  22.29 +/- 1.35   0.000% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  23.07 +/- 1.14   0.000% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  27.70 +/- 1.17   0.000% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  26.42 +/- 1.78   0.000% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  35.18 +/- 1.52   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2662 (2.03, 1.60, 27.63 ppm):
    13 chemical-shift based assignments, quality = 0.309, support = 5.12, residual support = 158.7:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.73 +/- 0.20  99.987% * 97.7423% (0.31  10.0   5.12 158.67) = 100.000%  kept
          HB2   LYS+ 111 - HG3   ARG+  54  15.78 +/- 1.22   0.004% *  0.2420% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   ARG+  54  17.97 +/- 1.36   0.001% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   ARG+  54  15.67 +/- 1.28   0.004% *  0.0627% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   ARG+  54  19.89 +/- 1.98   0.001% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   ARG+  54  18.07 +/- 1.20   0.001% *  0.1189% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   ARG+  54  25.12 +/- 2.02   0.000% *  0.3104% (0.98   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  23.78 +/- 1.46   0.000% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   ARG+  54  27.17 +/- 1.84   0.000% *  0.2840% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  26.45 +/- 1.85   0.000% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  22.07 +/- 1.73   0.000% *  0.0489% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  28.33 +/- 1.72   0.000% *  0.1541% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  34.14 +/- 1.36   0.000% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 4.76, residual support = 158.7:
      O   HA    ARG+  54 - HG3   ARG+  54   3.15 +/- 0.58  99.982% * 99.5710% (1.00  10.0   4.76 158.67) = 100.000%  kept
          HA    LEU  115 - HG3   ARG+  54  15.56 +/- 1.31   0.011% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   ARG+  54  19.94 +/- 1.67   0.003% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  18.79 +/- 1.16   0.004% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   ARG+  54  28.50 +/- 1.50   0.000% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  28.28 +/- 1.71   0.000% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  30.89 +/- 1.67   0.000% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  32.19 +/- 2.25   0.000% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  37.24 +/- 1.71   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 158.7:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.77 +/- 0.25 100.000% * 99.9462% (0.76  10.0 10.00   3.74 158.67) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  25.75 +/- 1.91   0.000% *  0.0538% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2666 (3.35, 1.60, 27.63 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 4.67, residual support = 158.7:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.80 +/- 0.19  96.067% * 99.6886% (0.87  10.0 10.00   4.67 158.67) =  99.997%  kept
          QB    PHE   55 - HG3   ARG+  54   6.17 +/- 0.85   3.154% *  0.0559% (0.49   1.0  1.00   0.02   3.18) =   0.002%
          HB3   CYS   53 - HG3   ARG+  54   6.82 +/- 0.61   0.700% *  0.0920% (0.80   1.0  1.00   0.02  32.22) =   0.001%
          HD3   PRO   93 - HG3   ARG+  54   9.89 +/- 1.01   0.062% *  0.0697% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   ARG+  54  12.27 +/- 1.18   0.017% *  0.0287% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   ARG+  54  23.90 +/- 1.90   0.000% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2667 (7.87, 1.60, 27.63 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.46, residual support = 158.7:
          HN    ARG+  54 - HG3   ARG+  54   3.74 +/- 0.48  99.939% * 99.3126% (0.87   6.46 158.67) = 100.000%  kept
          HN    ASP-  62 - HG3   ARG+  54  13.82 +/- 1.31   0.061% *  0.1865% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   ARG+  54  28.53 +/- 1.81   0.001% *  0.1589% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   ARG+  54  34.28 +/- 1.61   0.000% *  0.3420% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 158.7:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  99.273% * 98.1061% (0.87  10.0 10.00   4.97 158.67) = 100.000%  kept
          QB    ALA   57 - HG2   ARG+  54   4.73 +/- 1.06   0.716% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG3   PRO   68  11.80 +/- 3.50   0.010% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   PRO   68  15.58 +/- 2.25   0.000% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   ARG+  54  16.84 +/- 1.53   0.000% *  0.2518% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG2   ARG+  54  23.86 +/- 1.76   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  27.21 +/- 1.87   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG3   PRO   68  25.79 +/- 1.91   0.000% *  0.2618% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  25.57 +/- 3.37   0.000% *  0.0672% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  16.33 +/- 1.09   0.000% *  0.0060% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2669 (2.02, 1.86, 27.63 ppm):
    24 chemical-shift based assignments, quality = 0.134, support = 2.66, residual support = 35.5:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  92.138% * 33.8555% (0.12  10.0  1.00   2.31  35.51) =  86.338%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.75 +/- 0.29   7.826% * 63.0750% (0.22  10.0  1.00   4.90  35.51) =  13.662%  kept
          QB    GLU-  15 - HG3   PRO   68   8.14 +/- 1.88   0.030% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   ARG+  54  15.57 +/- 1.38   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  13.28 +/- 3.17   0.004% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   PRO   68  13.18 +/- 1.76   0.001% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   ARG+  54  15.38 +/- 1.29   0.000% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   ARG+  54  19.01 +/- 1.96   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  14.53 +/- 1.04   0.000% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   30 - HG2   ARG+  54  25.46 +/- 1.85   0.000% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  17.50 +/- 1.25   0.000% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  22.99 +/- 1.46   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  21.07 +/- 1.76   0.000% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  18.66 +/- 2.73   0.000% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   ARG+  54  24.39 +/- 1.95   0.000% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  17.35 +/- 1.87   0.000% *  0.0188% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  23.08 +/- 3.41   0.000% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  18.89 +/- 1.13   0.000% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  27.35 +/- 1.77   0.000% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   ARG+  54  24.49 +/- 2.04   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  17.89 +/- 0.97   0.000% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  26.16 +/- 1.83   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  27.44 +/- 0.98   0.000% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  33.25 +/- 1.53   0.000% *  0.0706% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2670 (3.35, 1.86, 27.63 ppm):
    12 chemical-shift based assignments, quality = 0.709, support = 4.67, residual support = 131.4:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.90 +/- 0.11  37.249% * 84.7016% (0.87  10.0 10.00   4.64 158.67) =  77.850%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.66 +/- 0.30  60.844% * 14.7520% (0.15  10.0  1.00   4.74  35.51) =  22.147%  kept
          HB3   CYS   53 - HG2   ARG+  54   5.94 +/- 0.74   0.699% *  0.0782% (0.80   1.0  1.00   0.02  32.22) =   0.001%
          QB    PHE   55 - HG2   ARG+  54   6.11 +/- 0.85   1.150% *  0.0475% (0.49   1.0  1.00   0.02   3.18) =   0.001%
          HD3   PRO   93 - HG2   ARG+  54   9.39 +/- 0.83   0.042% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  11.74 +/- 1.39   0.012% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  25.92 +/- 2.63   0.000% *  0.2260% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  15.66 +/- 2.04   0.002% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  23.19 +/- 1.96   0.000% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  20.99 +/- 1.89   0.000% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  22.94 +/- 1.75   0.000% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  23.98 +/- 1.75   0.000% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2671 (3.27, 1.86, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.89, residual support = 158.7:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.43 +/- 0.21 100.000% * 99.7339% (0.31  10.0 10.00   3.89 158.67) = 100.000%  kept
        T HD3   ARG+  54 - HG3   PRO   68  25.97 +/- 2.95   0.000% *  0.2661% (0.08   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2672 (4.11, 1.86, 27.63 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 158.7:
      O T HA    ARG+  54 - HG2   ARG+  54   2.52 +/- 0.42  99.637% * 97.8074% (1.00  10.0 10.00   4.74 158.67) = 100.000%  kept
          HA    ALA  124 - HG3   PRO   68  11.45 +/- 3.30   0.345% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   ARG+  54  15.11 +/- 1.09   0.006% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   ARG+  54  19.17 +/- 1.53   0.001% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG3   PRO   68  17.25 +/- 2.91   0.002% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG3   PRO   68  23.11 +/- 1.96   0.000% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  15.32 +/- 1.01   0.004% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  18.48 +/- 1.19   0.002% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG3   PRO   68  29.04 +/- 1.60   0.000% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   ARG+  54  28.02 +/- 1.41   0.000% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  20.40 +/- 1.18   0.001% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  19.52 +/- 2.17   0.001% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  22.37 +/- 0.97   0.000% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  27.30 +/- 1.72   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  20.02 +/- 3.02   0.001% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  29.94 +/- 1.73   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  31.31 +/- 2.47   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  36.28 +/- 1.77   0.000% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2673 (7.87, 1.86, 27.63 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 6.35, residual support = 158.7:
          HN    ARG+  54 - HG2   ARG+  54   3.23 +/- 0.37  99.914% * 99.0330% (0.87   6.35 158.67) = 100.000%  kept
          HN    ASP-  62 - HG2   ARG+  54  13.15 +/- 1.31   0.035% *  0.1892% (0.53   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG3   PRO   68  12.39 +/- 1.09   0.041% *  0.0505% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   PRO   68  16.76 +/- 1.15   0.007% *  0.0926% (0.26   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   PRO   68  19.86 +/- 0.86   0.002% *  0.0430% (0.12   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   PRO   68  24.46 +/- 1.81   0.001% *  0.0833% (0.23   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   ARG+  54  27.54 +/- 1.77   0.000% *  0.1613% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   ARG+  54  33.34 +/- 1.71   0.000% *  0.3471% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.959, support = 0.0199, residual support = 0.0199:
          QB    ALA   57 - HB3   ARG+  54   5.31 +/- 0.83  99.199% * 19.4000% (0.97   0.02   0.02) =  99.372%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  15.19 +/- 1.61   0.372% * 19.7041% (0.98   0.02   0.02) =   0.379%
          HD2   LYS+  74 - HB3   ARG+  54  14.72 +/- 1.43   0.263% * 14.5972% (0.73   0.02   0.02) =   0.198%
          QD    LYS+  65 - HB3   ARG+  54  16.79 +/- 1.40   0.111% *  3.5205% (0.18   0.02   0.02) =   0.020%
          HB3   LEU  123 - HB3   ARG+  54  23.55 +/- 1.65   0.018% * 19.4000% (0.97   0.02   0.02) =   0.019%
          HB2   LYS+ 121 - HB3   ARG+  54  21.68 +/- 1.12   0.030% *  3.9782% (0.20   0.02   0.02) =   0.006%
          QD    LYS+  33 - HB3   ARG+  54  28.02 +/- 1.29   0.006% * 19.4000% (0.97   0.02   0.02) =   0.006%
    Distance limit 3.00 A violated in 19 structures by 2.31 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.42, residual support = 158.7:
      O   HN    ARG+  54 - HB3   ARG+  54   2.43 +/- 0.52  99.992% * 99.7769% (0.87  10.0   4.42 158.67) = 100.000%  kept
          HN    ASP-  62 - HB3   ARG+  54  13.64 +/- 1.06   0.008% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  28.17 +/- 1.29   0.000% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ARG+  54  33.86 +/- 1.23   0.000% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.37, residual support = 158.7:
      O   HN    ARG+  54 - HB2   ARG+  54   3.07 +/- 0.57  99.943% * 99.6984% (0.87  10.0   6.37 158.67) = 100.000%  kept
          HN    ASP-  62 - HB2   ARG+  54  13.35 +/- 1.18   0.026% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   GLU-  14  15.63 +/- 1.45   0.010% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  15.15 +/- 1.31   0.011% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  20.32 +/- 3.62   0.004% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  18.27 +/- 0.94   0.003% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  28.56 +/- 1.53   0.000% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  34.04 +/- 1.36   0.000% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  22.83 +/- 2.63   0.001% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  26.86 +/- 1.60   0.000% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  26.99 +/- 2.02   0.000% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  36.29 +/- 2.73   0.000% *  0.0096% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2677 (7.27, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.245, support = 1.49, residual support = 29.4:
          QE    PHE   59 - HA    LEU  115   3.55 +/- 1.47  88.956% * 76.5590% (0.25   1.50  29.52) =  99.523%  kept
          HN    PHE   59 - HA    LEU  115   7.67 +/- 1.49   1.709% *  8.6916% (0.13   0.33  29.52) =   0.217%
          QD    PHE   60 - HA    ARG+  54   7.70 +/- 1.04   3.966% *  2.3455% (0.57   0.02   0.02) =   0.136%
          HN    PHE   59 - HA    ARG+  54   8.14 +/- 0.91   2.840% *  1.7032% (0.41   0.02   0.02) =   0.071%
          QE    PHE   59 - HA    ARG+  54  10.47 +/- 1.54   0.639% *  3.3174% (0.80   0.02   0.02) =   0.031%
          QD    PHE   60 - HA    LEU  115   9.05 +/- 1.22   1.730% *  0.7217% (0.17   0.02   0.02) =   0.018%
          HN    LYS+  66 - HA    LEU  115  12.76 +/- 1.82   0.113% *  1.2496% (0.30   0.02   0.02) =   0.002%
          HN    LYS+  66 - HA    ARG+  54  16.60 +/- 1.06   0.031% *  4.0609% (0.98   0.02   0.02) =   0.002%
          HN    LYS+  81 - HA    ARG+  54  20.54 +/- 1.50   0.011% *  1.0331% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LEU  115  23.32 +/- 0.80   0.004% *  0.3179% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 5 structures by 0.58 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.924, support = 6.1, residual support = 148.9:
      O   HN    ARG+  54 - HA    ARG+  54   2.73 +/- 0.04  82.639% * 75.5578% (0.97  10.0   6.31 158.67) =  93.738%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.54 +/- 0.02  17.262% * 24.1648% (0.31  10.0   3.01   3.18) =   6.262%  kept
          HN    ASP-  62 - HA    ARG+  54  11.13 +/- 1.09   0.021% *  0.0741% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LEU  115  10.12 +/- 1.55   0.046% *  0.0228% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU  115  13.00 +/- 0.87   0.008% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  11.10 +/- 0.90   0.022% *  0.0074% (0.09   1.0   0.02   3.01) =   0.000%
          HN    LEU   31 - HA    ARG+  54  26.30 +/- 1.71   0.000% *  0.0702% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  23.10 +/- 1.24   0.000% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  25.49 +/- 1.48   0.000% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  31.67 +/- 1.59   0.000% *  0.0443% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2679 (7.61, 3.33, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 4.27, residual support = 18.1:
          HN    ILE   56 - QB    PHE   55   2.81 +/- 0.30  98.742% * 97.4346% (0.57   4.27  18.11) =  99.998%  kept
          HN    LYS+ 111 - QB    PHE   55   6.36 +/- 0.95   1.034% *  0.1795% (0.22   0.02   0.02) =   0.002%
          QE    PHE   60 - QB    PHE   55   9.52 +/- 1.62   0.200% *  0.2010% (0.25   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    PHE   55  11.81 +/- 0.54   0.021% *  0.5538% (0.69   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QB    PHE   55  19.55 +/- 1.64   0.001% *  0.6734% (0.84   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    PHE   55  23.05 +/- 0.88   0.000% *  0.7781% (0.97   0.02   0.02) =   0.000%
          HN    ALA   84 - QB    PHE   55  18.16 +/- 0.77   0.002% *  0.1795% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2680 (7.85, 3.33, 38.95 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.9, residual support = 20.0:
      O   HN    PHE   55 - QB    PHE   55   2.01 +/- 0.10  98.904% * 99.5965% (0.73  10.0   2.90  20.05) =  99.999%  kept
          HN    ARG+  54 - QB    PHE   55   4.28 +/- 0.12   1.091% *  0.0832% (0.61   1.0   0.02   3.18) =   0.001%
          HN    ASP-  62 - QB    PHE   55  10.91 +/- 0.59   0.004% *  0.1266% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  17.63 +/- 1.18   0.000% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    PHE   55  24.29 +/- 0.82   0.000% *  0.1324% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  28.55 +/- 0.92   0.000% *  0.0271% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2681 (7.29, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 0.89, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    PHE   55   8.34 +/- 0.91  96.003% * 36.5548% (0.90   0.02   0.02) =  97.840%  kept
          HN    LYS+  66 - QB    PHE   55  15.49 +/- 0.58   2.730% * 16.7569% (0.41   0.02   0.02) =   1.276%  kept
          HN    LYS+  81 - QB    PHE   55  19.48 +/- 0.69   0.697% * 40.3993% (0.99   0.02   0.02) =   0.785%  kept
          HE3   TRP   27 - QB    PHE   55  20.29 +/- 0.89   0.570% *  6.2891% (0.15   0.02   0.02) =   0.100%
    Distance limit 3.15 A violated in 20 structures by 5.14 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 6.04, residual support = 123.0:
      O   HN    ILE   56 - HB    ILE   56   2.82 +/- 0.61  97.960% * 98.8687% (0.25  10.0   6.04 123.04) =  99.996%  kept
          QE    PHE   60 - HB    ILE   56   8.08 +/- 1.89   1.780% *  0.2245% (0.57   1.0   0.02   2.34) =   0.004%
          HN    LEU   63 - HB    ILE   56   9.70 +/- 0.78   0.258% *  0.1353% (0.34   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB    ILE   56  19.38 +/- 2.31   0.001% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB    ILE   56  23.18 +/- 1.46   0.000% *  0.3751% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.508, support = 2.28, residual support = 14.1:
          QD    PHE   55 - HB    ILE   56   4.56 +/- 0.80  64.972% * 61.5697% (0.41   2.74  18.11) =  77.062%  kept
          QE    PHE   95 - HB    ILE   56   5.96 +/- 1.89  34.729% * 34.2792% (0.84   0.75   0.66) =  22.934%  kept
          HD1   TRP   49 - HB    ILE   56  12.02 +/- 1.47   0.231% *  0.8364% (0.76   0.02   0.02) =   0.004%
          HN    LEU   67 - HB    ILE   56  15.09 +/- 0.79   0.049% *  1.0847% (0.99   0.02   0.02) =   0.001%
          HN    THR   23 - HB    ILE   56  20.92 +/- 1.11   0.006% *  0.9493% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB    ILE   56  19.67 +/- 1.34   0.009% *  0.3733% (0.34   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB    ILE   56  24.49 +/- 1.10   0.002% *  0.6638% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB    ILE   56  29.10 +/- 1.50   0.001% *  0.2436% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.67, residual support = 123.0:
      O T QD1   ILE   56 - HB    ILE   56   2.49 +/- 0.36  99.985% * 99.4902% (0.87  10.0 10.00   4.67 123.04) = 100.000%  kept
        T QD2   LEU  123 - HB    ILE   56  13.68 +/- 1.29   0.009% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB    ILE   56  16.27 +/- 1.31   0.003% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB    ILE   56  14.64 +/- 1.00   0.004% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    ILE   56  22.84 +/- 1.54   0.000% *  0.0514% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2685 (0.80, 1.72, 31.79 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.88, residual support = 123.0:
      O T QD1   ILE   56 - QG1   ILE   56   1.91 +/- 0.01  99.994% * 98.2187% (0.87  10.0 10.00   3.88 123.04) = 100.000%  kept
        T QD2   LEU   73 - QG1   ILE   56  12.17 +/- 1.08   0.002% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QG1   ILE   56  12.97 +/- 0.95   0.001% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG1   ILE   56  11.01 +/- 0.74   0.003% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  19.40 +/- 1.46   0.000% *  0.0508% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2686 (1.28, 0.79, 15.02 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 4.68, residual support = 123.0:
        T QG2   ILE   56 - QD1   ILE   56   2.84 +/- 0.54  99.697% * 98.5057% (0.72 10.00   4.68 123.04) = 100.000%  kept
          QB    ALA   91 - QD1   ILE   56   8.84 +/- 1.57   0.216% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
        T QB    ALA   34 - QD1   ILE   56  16.33 +/- 0.86   0.004% *  1.1899% (0.87 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD1   ILE   56   9.85 +/- 0.86   0.074% *  0.0255% (0.19  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD1   ILE   56  17.25 +/- 0.87   0.003% *  0.1263% (0.93  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD1   ILE   56  15.84 +/- 0.88   0.005% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  24.08 +/- 1.14   0.000% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2687 (1.43, 0.79, 15.02 ppm):
    14 chemical-shift based assignments, quality = 0.774, support = 2.2, residual support = 4.72:
          QB    ALA  110 - QD1   ILE   56   3.99 +/- 1.81  25.600% * 82.1640% (0.85  1.00   2.43   5.34) =  88.455%  kept
          HB3   LEU  115 - QD1   ILE   56   2.92 +/- 0.95  73.065% *  3.6449% (0.21  1.00   0.43   0.02) =  11.200%  kept
          QB    ALA   61 - QD1   ILE   56   7.11 +/- 0.32   1.042% *  7.6418% (0.94  1.00   0.20   0.02) =   0.335%
        T HD3   LYS+ 121 - QD1   ILE   56  11.26 +/- 1.28   0.067% *  2.0986% (0.26 10.00   0.02   0.02) =   0.006%
          QG    LYS+  66 - QD1   ILE   56   9.79 +/- 0.97   0.092% *  0.6547% (0.82  1.00   0.02   0.02) =   0.003%
          HB3   LEU   67 - QD1   ILE   56  13.09 +/- 1.35   0.019% *  0.7399% (0.93  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD1   ILE   56  13.09 +/- 0.94   0.047% *  0.1882% (0.24  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD1   ILE   56  14.69 +/- 1.09   0.012% *  0.5185% (0.65  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   ILE   56  16.53 +/- 1.37   0.008% *  0.6305% (0.79  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD1   ILE   56  16.69 +/- 0.99   0.006% *  0.6968% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   56  16.76 +/- 1.35   0.010% *  0.3103% (0.39  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   ILE   56  13.23 +/- 1.58   0.023% *  0.1165% (0.15  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD1   ILE   56  15.11 +/- 1.28   0.008% *  0.1680% (0.21  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   56  20.41 +/- 1.19   0.001% *  0.4273% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 2 structures by 0.16 A, kept.
 
    Peak 2688 (1.71, 0.79, 15.02 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 3.88, residual support = 123.0:
      O T QG1   ILE   56 - QD1   ILE   56   1.91 +/- 0.01  99.900% * 98.9931% (0.85  10.0 10.00   3.88 123.04) = 100.000%  kept
          HB3   MET   92 - QD1   ILE   56   7.39 +/- 1.03   0.052% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   ILE   56   7.50 +/- 1.20   0.042% *  0.0341% (0.29   1.0  1.00   0.02   2.22) =   0.000%
        T HB2   LEU   73 - QD1   ILE   56  14.32 +/- 1.26   0.001% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   ILE   56  10.54 +/- 1.04   0.004% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  12.97 +/- 1.01   0.001% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  16.10 +/- 1.07   0.000% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  17.30 +/- 0.98   0.000% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2689 (1.89, 0.79, 15.02 ppm):
    10 chemical-shift based assignments, quality = 0.723, support = 4.67, residual support = 123.0:
      O T HB    ILE   56 - QD1   ILE   56   2.49 +/- 0.36  99.259% * 98.1990% (0.72  10.0 10.00   4.67 123.04) =  99.999%  kept
          HB3   PRO   58 - QD1   ILE   56   6.45 +/- 0.54   0.379% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD1   ILE   56   8.40 +/- 1.30   0.299% *  0.1274% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   ILE   56   9.32 +/- 0.88   0.049% *  0.0438% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - QD1   ILE   56  18.66 +/- 0.91   0.001% *  1.2736% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  13.41 +/- 1.30   0.009% *  0.0320% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE   56  16.43 +/- 0.83   0.002% *  0.0397% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE   56  23.06 +/- 1.26   0.000% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  19.91 +/- 0.80   0.001% *  0.0254% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  28.59 +/- 1.73   0.000% *  0.0286% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2690 (3.46, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 1.82, residual support = 8.56:
        T HA    LYS+ 112 - QD1   ILE   56   3.77 +/- 1.30  94.742% * 99.8486% (0.79 10.00   1.82   8.56) =  99.997%  kept
          HB    THR   46 - QD1   ILE   56   9.03 +/- 1.14   4.518% *  0.0405% (0.29  1.00   0.02   0.02) =   0.002%
          HB2   HIS  122 - QD1   ILE   56  11.97 +/- 1.28   0.726% *  0.0744% (0.54  1.00   0.02   0.02) =   0.001%
          HB2   HIS   22 - QD1   ILE   56  21.28 +/- 1.01   0.015% *  0.0365% (0.26  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 6 structures by 0.81 A, kept.
 
    Peak 2691 (4.46, 0.79, 15.02 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.0, residual support = 8.19:
          HA    ALA  110 - QD1   ILE   56   3.94 +/- 2.21  78.992% * 46.0478% (0.94   2.73   5.34) =  77.644%  kept
          HA    PHE   55 - QD1   ILE   56   4.95 +/- 0.90  19.631% * 53.3429% (0.76   3.92  18.11) =  22.353%  kept
          HA    VAL  107 - QD1   ILE   56   6.90 +/- 0.91   1.067% *  0.1275% (0.36   0.02   0.02) =   0.003%
          HA    GLN   90 - QD1   ILE   56  12.68 +/- 1.18   0.066% *  0.3214% (0.89   0.02   0.02) =   0.000%
          HA    ALA   91 - QD1   ILE   56  10.60 +/- 1.31   0.209% *  0.0847% (0.24   0.02   0.02) =   0.000%
          HA    VAL   42 - QD1   ILE   56  12.68 +/- 1.15   0.034% *  0.0756% (0.21   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 2 structures by 0.29 A, kept.
 
    Peak 2692 (6.90, 0.79, 15.02 ppm):
    1 chemical-shift based assignment, quality = 0.821, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   ILE   56  10.38 +/- 0.65 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.28 A violated in 20 structures by 7.10 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 15.02 ppm):
    3 chemical-shift based assignments, quality = 0.292, support = 1.21, residual support = 20.3:
          HN    PHE   59 - QD1   ILE   56   3.71 +/- 0.38  99.786% * 91.2701% (0.29   1.21  20.29) =  99.990%  kept
          HN    HIS  122 - QD1   ILE   56  10.84 +/- 0.92   0.195% *  4.2292% (0.82   0.02   0.02) =   0.009%
          HH2   TRP   87 - QD1   ILE   56  17.00 +/- 1.52   0.019% *  4.5007% (0.87   0.02   0.02) =   0.001%
    Distance limit 3.37 A violated in 3 structures by 0.38 A, kept.
 
    Peak 2694 (7.39, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.424, support = 4.64, residual support = 33.8:
          HN    ALA   57 - QD1   ILE   56   3.79 +/- 0.43  97.780% * 98.3780% (0.42   4.64  33.82) =  99.992%  kept
          HE21  GLN  116 - QD1   ILE   56   8.04 +/- 1.61   2.165% *  0.3548% (0.36   0.02   0.02) =   0.008%
          HE21  GLN   90 - QD1   ILE   56  14.75 +/- 1.94   0.053% *  0.9124% (0.91   0.02   0.02) =   0.001%
          HD21  ASN   35 - QD1   ILE   56  24.00 +/- 1.18   0.002% *  0.3548% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2695 (7.61, 0.79, 15.02 ppm):
    5 chemical-shift based assignments, quality = 0.251, support = 5.41, residual support = 117.1:
          HN    ILE   56 - QD1   ILE   56   3.48 +/- 0.83  86.460% * 69.9299% (0.24   5.64 123.04) =  95.095%  kept
          QE    PHE   60 - QD1   ILE   56   7.14 +/- 1.79  11.190% * 27.7952% (0.54   0.99   2.34) =   4.892%  kept
          HN    LEU   63 - QD1   ILE   56   7.38 +/- 0.74   2.334% *  0.3393% (0.32   0.02   0.02) =   0.012%
          HZ2   TRP   87 - QD1   ILE   56  16.30 +/- 1.54   0.012% *  0.9947% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   ILE   56  19.69 +/- 0.88   0.004% *  0.9409% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 1 structures by 0.23 A, kept.
 
    Peak 2696 (8.51, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.498, support = 1.74, residual support = 8.56:
          HN    LYS+ 112 - QD1   ILE   56   5.03 +/- 1.40  96.755% * 97.4185% (0.50   1.74   8.56) =  99.978%  kept
          HN    VAL   75 - QD1   ILE   56  11.72 +/- 0.86   2.624% *  0.4747% (0.21   0.02   0.02) =   0.013%
          HN    ASP-  78 - QD1   ILE   56  14.75 +/- 1.02   0.613% *  1.3794% (0.61   0.02   0.02) =   0.009%
          HN    MET   11 - QD1   ILE   56  29.34 +/- 1.77   0.008% *  0.7273% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 11 structures by 1.44 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.0, residual support = 20.3:
        T HB3   PHE   59 - QG1   ILE   56   2.83 +/- 0.46  97.946% * 99.8494% (0.38 10.00   3.00  20.29) =  99.997%  kept
          HB2   PHE   95 - QG1   ILE   56   6.45 +/- 1.39   2.054% *  0.1506% (0.57  1.00   0.02   0.66) =   0.003%
    Distance limit 3.56 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 = 0.352, support = 2.55, residual support = 20.2:
        T HB2   PHE   59 - QG1   ILE   56   2.93 +/- 0.71  86.560% * 73.3063% (0.34 10.00   2.49  20.29) =  95.990%  kept
          QB    PHE   55 - QG1   ILE   56   4.68 +/- 0.46  10.178% * 25.9940% (0.61  1.00   3.99  18.11) =   4.002%  kept
          HD3   PRO   93 - QG1   ILE   56   6.53 +/- 1.11   2.174% *  0.1561% (0.73  1.00   0.02   0.02) =   0.005%
          HB3   CYS   53 - QG1   ILE   56   6.93 +/- 0.58   0.955% *  0.1927% (0.90  1.00   0.02   0.02) =   0.003%
          HD2   ARG+  54 - QG1   ILE   56   9.73 +/- 0.89   0.119% *  0.2033% (0.95  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QG1   ILE   56  14.35 +/- 1.43   0.013% *  0.1476% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 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  10.28 +/- 0.64 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.82 A violated in 20 structures by 6.45 A, eliminated.
    Peak unassigned.
 
    Peak 2700 (7.21, 1.72, 31.79 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 1.97, residual support = 20.3:
          QD    PHE   59 - QG1   ILE   56   2.97 +/- 0.77  99.912% * 96.4508% (0.34   1.97  20.29) =  99.999%  kept
          HN    HIS  122 - QG1   ILE   56  11.37 +/- 0.64   0.070% *  1.1777% (0.41   0.02   0.02) =   0.001%
          HH2   TRP   87 - QG1   ILE   56  17.39 +/- 2.07   0.013% *  1.3944% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - QG1   ILE   56  18.30 +/- 1.07   0.005% *  0.9771% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 5.04, residual support = 123.0:
      O   HN    ILE   56 - HA    ILE   56   2.91 +/- 0.03  99.486% * 98.8687% (0.25  10.0   5.04 123.04) =  99.999%  kept
          QE    PHE   60 - HA    ILE   56   8.39 +/- 1.31   0.370% *  0.2245% (0.57   1.0   0.02   2.34) =   0.001%
          HN    LEU   63 - HA    ILE   56   8.94 +/- 0.90   0.143% *  0.1353% (0.34   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    ILE   56  21.01 +/- 2.20   0.001% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    ILE   56  24.60 +/- 1.47   0.000% *  0.3751% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2702 (3.81, 1.64, 16.31 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.07, residual support = 24.2:
        T HD2   PRO   58 - QB    ALA   57   2.08 +/- 0.14  97.593% * 98.8080% (0.95 10.00   5.07  24.17) =  99.999%  kept
          HB2   CYS   53 - QB    ALA   57   4.56 +/- 0.81   2.406% *  0.0356% (0.34  1.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - QB    ALA   57  18.86 +/- 0.97   0.000% *  1.0238% (0.98 10.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    ALA   57  22.81 +/- 1.16   0.000% *  0.1035% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  23.83 +/- 1.03   0.000% *  0.0290% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2703 (7.44, 1.64, 16.31 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.87, residual support = 24.3:
      O   HN    ALA   57 - QB    ALA   57   2.51 +/- 0.50  99.954% * 98.4865% (0.18  10.0   4.87  24.30) = 100.000%  kept
          HE21  GLN  116 - QB    ALA   57  11.94 +/- 2.18   0.025% *  0.1252% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - QB    ALA   57  12.98 +/- 0.66   0.010% *  0.3184% (0.57   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - QB    ALA   57  14.47 +/- 1.27   0.006% *  0.4084% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - QB    ALA   57  17.43 +/- 1.00   0.002% *  0.4697% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - QB    ALA   57  15.35 +/- 0.78   0.004% *  0.1918% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2704 (7.42, 4.26, 57.40 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 4.47, residual support = 24.3:
      O   HN    ALA   57 - HA    ALA   57   2.68 +/- 0.21  99.962% * 99.6015% (0.57  10.0   4.47  24.30) = 100.000%  kept
          HE21  GLN  116 - HA    ALA   57  13.47 +/- 2.54   0.030% *  0.1138% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   57  14.06 +/- 0.80   0.005% *  0.1698% (0.97   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  16.51 +/- 1.38   0.002% *  0.0489% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   57  19.58 +/- 1.24   0.001% *  0.0660% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2705 (1.65, 4.26, 57.40 ppm):
    12 chemical-shift based assignments, quality = 0.526, support = 2.81, residual support = 24.3:
      O T QB    ALA   57 - HA    ALA   57   2.14 +/- 0.01  99.891% * 98.9094% (0.53  10.0 10.00   2.81  24.30) = 100.000%  kept
          HD2   LYS+  74 - HA    ALA   57   8.90 +/- 0.95   0.025% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    ALA   57   7.39 +/- 0.87   0.074% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    ALA   57  10.69 +/- 0.88   0.008% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    ALA   57  16.16 +/- 1.07   0.001% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    ALA   57  15.48 +/- 1.00   0.001% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    ALA   57  18.97 +/- 1.10   0.000% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  17.84 +/- 1.68   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  17.26 +/- 1.46   0.000% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  21.86 +/- 1.40   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  25.80 +/- 1.47   0.000% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  23.80 +/- 1.09   0.000% *  0.0580% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2706 (8.06, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.239, support = 0.02, residual support = 0.02:
          HN    CYS   53 - HB2   PRO   58  12.39 +/- 0.77  94.580% *  5.7685% (0.15   0.02   0.02) =  83.449%  kept
          HN    SER   85 - HB2   PRO   58  25.76 +/- 0.82   1.241% * 29.9364% (0.80   0.02   0.02) =   5.681%  kept
          HN    LEU   80 - HB2   PRO   58  23.12 +/- 0.95   2.348% * 11.5391% (0.31   0.02   0.02) =   4.144%  kept
          HN    GLN   32 - HB2   PRO   58  28.37 +/- 0.95   0.719% * 37.3861% (1.00   0.02   0.02) =   4.111%  kept
          HN    ALA   34 - HB2   PRO   58  26.43 +/- 0.95   1.113% * 15.3699% (0.41   0.02   0.02) =   2.615%  kept
    Distance limit 3.83 A violated in 20 structures by 8.44 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 6.3, residual support = 40.3:
      O   HN    PHE   59 - HB3   PRO   58   3.89 +/- 0.39  94.299% * 99.6725% (0.61  10.0   6.30  40.31) =  99.994%  kept
          QE    PHE   59 - HB3   PRO   58   8.11 +/- 1.59   2.829% *  0.1360% (0.83   1.0   0.02  40.31) =   0.004%
          QD    PHE   60 - HB3   PRO   58   7.58 +/- 0.58   2.482% *  0.0382% (0.23   1.0   0.02   0.02) =   0.001%
          HN    LYS+  66 - HB3   PRO   58  10.18 +/- 0.51   0.349% *  0.1049% (0.64   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HB3   PRO   58  14.60 +/- 1.17   0.039% *  0.0272% (0.17   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PRO   58  25.14 +/- 1.23   0.002% *  0.0212% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 146.5:
      O   HD2   PRO   58 - HG3   PRO   58   2.30 +/- 0.00  99.981% * 99.7269% (0.95  10.0   5.39 146.52) = 100.000%  kept
          HB2   CYS   53 - HG3   PRO   58   9.86 +/- 0.84   0.018% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   58  26.31 +/- 0.93   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   58  28.44 +/- 1.19   0.000% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  29.81 +/- 1.01   0.000% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2709 (4.42, 1.98, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 4.5, residual support = 146.5:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.00  99.879% * 99.2991% (0.76  10.0   4.50 146.52) = 100.000%  kept
          HA    THR   46 - HG3   PRO   58  13.01 +/- 0.78   0.077% *  0.1254% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   58  15.38 +/- 1.10   0.029% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   58  20.70 +/- 0.82   0.004% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HG3   PRO   58  18.95 +/- 1.04   0.008% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   58  24.12 +/- 1.06   0.002% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   58  26.98 +/- 1.83   0.001% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   58  31.33 +/- 0.90   0.000% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.536, support = 5.46, residual support = 24.2:
          HN    ALA   57 - HD2   PRO   58   2.42 +/- 0.56  99.962% * 98.5565% (0.54   5.46  24.17) = 100.000%  kept
          HE21  GLN  116 - HD2   PRO   58  11.93 +/- 2.62   0.029% *  0.4122% (0.61   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   58  13.62 +/- 0.88   0.007% *  0.6150% (0.91   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   58  19.12 +/- 1.18   0.001% *  0.2392% (0.36   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   58  18.62 +/- 1.72   0.001% *  0.1772% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 146.5:
      O   HA    PRO   58 - HD3   PRO   58   3.98 +/- 0.00  98.034% * 99.2639% (0.72  10.0   6.52 146.52) =  99.999%  kept
          HA    THR   46 - HD3   PRO   58  10.55 +/- 0.73   0.310% *  0.1254% (0.91   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HD3   PRO   58  14.60 +/- 0.94   0.044% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   68  10.14 +/- 1.08   0.459% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68   9.98 +/- 1.09   0.509% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD3   PRO   58  16.66 +/- 1.17   0.020% *  0.0487% (0.36   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  11.35 +/- 1.60   0.272% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD3   PRO   58  19.73 +/- 0.70   0.007% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  11.74 +/- 1.47   0.224% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD3   PRO   58  22.19 +/- 1.17   0.003% *  0.0788% (0.57   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  14.50 +/- 1.10   0.048% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  15.32 +/- 1.65   0.038% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD3   PRO   58  26.27 +/- 1.43   0.001% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  16.42 +/- 1.27   0.023% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD3   PRO   58  29.70 +/- 1.09   0.001% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  19.82 +/- 1.28   0.007% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.536, support = 3.84, residual support = 24.2:
          HN    ALA   57 - HD3   PRO   58   2.05 +/- 0.19  99.872% * 97.8503% (0.54   3.84  24.17) =  99.999%  kept
          HE21  GLN  116 - HD3   PRO   58  10.59 +/- 2.61   0.100% *  0.5817% (0.61   0.02   0.02) =   0.001%
          HN    ALA  120 - HD3   PRO   58  12.04 +/- 0.85   0.003% *  0.8678% (0.91   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   68  10.03 +/- 1.96   0.017% *  0.0149% (0.02   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   68  12.65 +/- 1.70   0.003% *  0.0384% (0.04   0.02   0.02) =   0.000%
          HN    ALA  124 - HD3   PRO   58  17.91 +/- 1.16   0.000% *  0.3375% (0.36   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD3   PRO   58  18.73 +/- 1.60   0.000% *  0.2500% (0.26   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  15.21 +/- 2.68   0.002% *  0.0258% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  13.22 +/- 1.57   0.002% *  0.0111% (0.01   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  17.40 +/- 1.50   0.000% *  0.0225% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 24.2:
          QB    ALA   57 - HD3   PRO   58   3.23 +/- 0.13  99.237% * 96.7335% (0.87   3.30  24.17) =  99.999%  kept
          HD2   LYS+  74 - HD3   PRO   58  12.36 +/- 0.86   0.038% *  0.6298% (0.94   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD3   PRO   58  11.03 +/- 0.78   0.077% *  0.3093% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   PRO   58  13.82 +/- 1.45   0.022% *  0.5698% (0.85   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD2   PRO   68   8.82 +/- 1.21   0.366% *  0.0137% (0.02   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   PRO   58  15.86 +/- 1.56   0.011% *  0.4110% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD3   PRO   58  14.94 +/- 1.09   0.011% *  0.3343% (0.50   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   68  11.22 +/- 2.03   0.131% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   68  12.38 +/- 1.70   0.057% *  0.0148% (0.02   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   PRO   58  21.94 +/- 1.13   0.001% *  0.2612% (0.39   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   PRO   68  15.20 +/- 1.03   0.011% *  0.0260% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   PRO   68  15.89 +/- 1.61   0.010% *  0.0279% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   PRO   58  24.08 +/- 1.40   0.001% *  0.4110% (0.61   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   68  15.14 +/- 2.02   0.014% *  0.0182% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  15.11 +/- 1.49   0.013% *  0.0078% (0.01   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   PRO   58  26.88 +/- 1.37   0.000% *  0.1767% (0.26   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  24.07 +/- 2.45   0.001% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  24.49 +/- 1.56   0.001% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.07, residual support = 24.2:
        T QB    ALA   57 - HD2   PRO   58   2.08 +/- 0.14  99.989% * 97.4262% (0.87 10.00   5.07  24.17) = 100.000%  kept
        T QD    LYS+  65 - HD2   PRO   58  10.98 +/- 0.80   0.006% *  0.5137% (0.46 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HD2   PRO   58  12.48 +/- 0.95   0.003% *  1.0461% (0.94 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   58  15.07 +/- 1.55   0.001% *  0.0947% (0.85  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HD2   PRO   58  22.48 +/- 1.14   0.000% *  0.4339% (0.39 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   58  17.17 +/- 1.55   0.000% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   58  16.59 +/- 1.11   0.000% *  0.0555% (0.50  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   PRO   58  27.92 +/- 1.32   0.000% *  0.2934% (0.26 10.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   58  24.59 +/- 1.35   0.000% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 146.5:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  99.985% * 99.6708% (0.89  10.0 10.00   7.73 146.52) = 100.000%  kept
          HB2   CYS   53 - HD3   PRO   58   7.96 +/- 0.83   0.014% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  17.68 +/- 1.26   0.000% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  23.64 +/- 0.97   0.000% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  15.93 +/- 1.68   0.000% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  26.36 +/- 1.31   0.000% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  15.80 +/- 1.39   0.000% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  27.92 +/- 1.16   0.000% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  21.46 +/- 1.61   0.000% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  25.91 +/- 1.56   0.000% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2716 (3.72, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 7.73, residual support = 146.5:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  99.993% * 99.5891% (0.95  10.0 10.00   7.73 146.52) = 100.000%  kept
          HA    ALA   61 - HD2   PRO   58   8.65 +/- 0.34   0.007% *  0.0446% (0.42   1.0  1.00   0.02   1.00) =   0.000%
        T HD2   PRO   68 - HD2   PRO   58  17.68 +/- 1.26   0.000% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   PRO   58  17.28 +/- 1.04   0.000% *  0.0893% (0.85   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2717 (7.24, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.65, residual support = 40.3:
          HN    PHE   59 - HD2   PRO   58   3.69 +/- 0.03  98.225% * 99.0698% (0.69   6.65  40.31) =  99.997%  kept
          QE    PHE   59 - HD2   PRO   58   7.97 +/- 1.14   1.758% *  0.1399% (0.32   0.02  40.31) =   0.003%
          HN    HIS  122 - HD2   PRO   58  16.00 +/- 0.91   0.016% *  0.4022% (0.93   0.02   0.02) =   0.000%
          HH2   TRP   87 - HD2   PRO   58  23.71 +/- 1.56   0.002% *  0.3881% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2718 (1.74, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 3.0, residual support = 20.3:
        T QG1   ILE   56 - HB3   PHE   59   2.83 +/- 0.46  99.995% * 99.6917% (0.53 10.00   3.00  20.29) = 100.000%  kept
          HB    ILE   89 - HB3   PHE   59  17.16 +/- 0.95   0.003% *  0.1857% (0.98  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   PHE   59  19.14 +/- 1.16   0.002% *  0.1226% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.457, support = 0.706, residual support = 6.14:
          HB3   ASP-  62 - HB3   PHE   59   4.96 +/- 0.65  52.317% * 68.8481% (0.45   0.75   6.56) =  92.836%  kept
          HB    VAL  107 - HB3   PHE   59   7.27 +/- 1.25   8.805% * 17.0895% (0.38   0.22   1.31) =   3.878%  kept
          QE    LYS+ 112 - HB3   PHE   59   6.69 +/- 2.72  38.789% *  3.2791% (0.80   0.02   0.02) =   3.278%  kept
          HB3   PHE   45 - HB3   PHE   59  13.83 +/- 0.75   0.083% *  3.2791% (0.80   0.02   0.02) =   0.007%
          HB3   ASP-  86 - HB3   PHE   59  22.43 +/- 1.23   0.005% *  3.5522% (0.87   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB3   PHE   59  28.07 +/- 1.06   0.001% *  3.9520% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.38 A, kept.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.49, residual support = 20.3:
        T QG1   ILE   56 - HB2   PHE   59   2.93 +/- 0.71  99.979% * 99.0024% (0.18 10.00   2.49  20.29) = 100.000%  kept
          HB    VAL   43 - HB2   PHE   59  14.72 +/- 1.24   0.010% *  0.1928% (0.34  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB2   PHE   59  17.12 +/- 1.39   0.004% *  0.3657% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   PHE   59  18.68 +/- 1.36   0.003% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB2   PHE   59  19.18 +/- 1.34   0.003% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HB2   PHE   59  21.35 +/- 1.00   0.001% *  0.1572% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.98, residual support = 58.5:
      O   HN    PHE   59 - HB3   PHE   59   2.45 +/- 0.55  99.925% * 99.4232% (0.31  10.0   4.98  58.47) = 100.000%  kept
          HN    HIS  122 - HB3   PHE   59  10.66 +/- 1.18   0.074% *  0.2794% (0.87   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PHE   59  20.61 +/- 1.82   0.001% *  0.2974% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 58.5:
      O   HN    PHE   59 - HB2   PHE   59   2.51 +/- 0.48  95.103% * 99.7763% (1.00  10.0   4.37  58.47) =  99.996%  kept
          QE    PHE   59 - HB2   PHE   59   4.46 +/- 0.04   4.806% *  0.0799% (0.80   1.0   0.02  58.47) =   0.004%
          HN    HIS  122 - HB2   PHE   59  10.76 +/- 1.15   0.040% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HB2   PHE   59   9.75 +/- 0.46   0.051% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   PHE   59  20.60 +/- 1.75   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2724 (2.65, 4.35, 60.90 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 1.5, residual support = 6.56:
          HB2   ASP-  62 - HA    PHE   59   3.31 +/- 0.34  99.891% * 97.0773% (0.99  1.00   1.50   6.56) =  99.998%  kept
        T QB    ASP- 113 - HA    PHE   59  11.45 +/- 0.84   0.080% *  2.2871% (0.18 10.00   0.02   0.02) =   0.002%
          HB2   PRO   52 - HA    PHE   59  13.37 +/- 0.96   0.029% *  0.6357% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.96, residual support = 6.56:
          HB3   ASP-  62 - HA    PHE   59   2.44 +/- 0.56  99.489% * 85.4423% (0.18  1.00   2.96   6.56) =  99.993%  kept
          HG3   GLN  116 - HA    PHE   59   8.31 +/- 1.51   0.507% *  1.1256% (0.34  1.00   0.02   0.56) =   0.007%
        T HB3   TRP   87 - HA    PHE   59  18.68 +/- 1.04   0.001% *  9.1744% (0.28 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    PHE   59  16.38 +/- 1.13   0.003% *  1.7360% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    PHE   59  28.99 +/- 2.16   0.000% *  2.5217% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 58.5:
      O   HN    PHE   59 - HA    PHE   59   2.77 +/- 0.04  95.812% * 99.7763% (1.00  10.0   4.97  58.47) =  99.997%  kept
          QE    PHE   59 - HA    PHE   59   4.91 +/- 0.48   3.877% *  0.0799% (0.80   1.0   0.02  58.47) =   0.003%
          HN    LYS+  66 - HA    PHE   59   7.51 +/- 0.44   0.261% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HA    PHE   59   9.99 +/- 1.00   0.050% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HA    PHE   59  21.60 +/- 1.45   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2727 (8.20, 3.16, 39.73 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 4.01, residual support = 20.2:
          HN    PHE   60 - HB3   PHE   59   3.44 +/- 0.46  94.649% * 98.7566% (0.61   4.01  20.24) =  99.989%  kept
          HN    GLN  116 - HB3   PHE   59   6.50 +/- 0.79   3.957% *  0.1423% (0.18   0.02   0.56) =   0.006%
          HN    THR  118 - HB3   PHE   59   7.86 +/- 0.89   1.391% *  0.3049% (0.38   0.02  10.66) =   0.005%
          HN    GLU-  15 - HB3   PHE   59  20.13 +/- 1.06   0.003% *  0.7963% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.988, support = 3.9, residual support = 71.2:
          QD    PHE   60 - HA    PHE   60   2.72 +/- 0.33  86.122% * 91.3343% (1.00   3.94  71.95) =  98.637%  kept
          QE    PHE   59 - HA    PHE   60   4.85 +/- 1.78  13.656% *  7.9556% (0.25   1.37  20.24) =   1.362%  kept
          HN    LYS+  66 - HA    PHE   60   7.55 +/- 0.24   0.221% *  0.3377% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    PHE   60  20.16 +/- 0.82   0.001% *  0.3724% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.94, residual support = 71.9:
      O   HN    PHE   60 - HA    PHE   60   2.81 +/- 0.03  99.887% * 99.7483% (0.61  10.0   4.94  71.95) = 100.000%  kept
          HN    THR  118 - HA    PHE   60   9.95 +/- 0.89   0.061% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    PHE   60  10.20 +/- 0.71   0.049% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    PHE   60  15.94 +/- 0.79   0.003% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2731 (7.73, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 4.98, residual support = 41.9:
      O   HN    ALA   61 - HA    PHE   60   3.64 +/- 0.00  99.934% * 99.5823% (0.84  10.0   4.98  41.93) = 100.000%  kept
          HN    ALA   91 - HA    PHE   60  15.12 +/- 1.17   0.022% *  0.1069% (0.90   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    PHE   60  15.26 +/- 0.82   0.020% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    PHE   60  18.08 +/- 0.68   0.007% *  0.1182% (0.99   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    PHE   60  16.75 +/- 0.77   0.011% *  0.0627% (0.53   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    PHE   60  19.41 +/- 1.11   0.005% *  0.0580% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    PHE   60  22.90 +/- 1.00   0.002% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.154, support = 0.749, residual support = 0.749:
          HA    ALA   57 - HB2   PHE   60   3.05 +/- 0.34  99.526% * 42.7977% (0.15   0.75   0.75) =  99.920%  kept
          HA    ASP-  44 - HB2   PHE   60   8.07 +/- 0.80   0.436% *  7.3803% (1.00   0.02   0.59) =   0.076%
          HB    THR   77 - HB2   PHE   60  14.78 +/- 0.77   0.009% *  7.2502% (0.98   0.02   0.02) =   0.002%
          HA1   GLY   51 - HB2   PHE   60  13.51 +/- 0.85   0.016% *  2.7761% (0.38   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   PHE   60  17.64 +/- 0.83   0.003% *  6.8280% (0.92   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   PHE   60  19.85 +/- 0.87   0.002% *  7.2502% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   PHE   60  18.77 +/- 1.33   0.003% *  3.0409% (0.41   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   PHE   60  19.15 +/- 0.93   0.002% *  4.1877% (0.57   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   PHE   60  20.24 +/- 1.36   0.002% *  3.6004% (0.49   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   PHE   60  21.31 +/- 0.62   0.001% *  3.6004% (0.49   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   PHE   60  25.21 +/- 1.61   0.000% *  3.8916% (0.53   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   PHE   60  28.34 +/- 1.55   0.000% *  7.3967% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2733 (7.30, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.76, residual support = 71.9:
      O   QD    PHE   60 - HB2   PHE   60   2.37 +/- 0.10  99.937% * 99.7759% (0.76  10.0   3.76  71.95) = 100.000%  kept
          HN    LYS+  66 - HB2   PHE   60   9.42 +/- 0.31   0.027% *  0.0363% (0.28   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   PHE   60   9.32 +/- 0.93   0.034% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB2   PHE   60  19.35 +/- 0.78   0.000% *  0.1294% (0.99   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   PHE   60  15.83 +/- 1.02   0.001% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2734 (7.74, 3.40, 40.02 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 4.91, residual support = 41.9:
          HN    ALA   61 - HB2   PHE   60   2.74 +/- 0.32  99.985% * 95.7492% (0.38   4.91  41.93) = 100.000%  kept
          HD1   TRP   87 - HB2   PHE   60  15.51 +/- 0.60   0.004% *  0.9320% (0.90   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   PHE   60  14.40 +/- 0.79   0.006% *  0.4659% (0.45   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   PHE   60  18.40 +/- 0.90   0.001% *  0.8321% (0.80   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   PHE   60  21.57 +/- 1.30   0.001% *  0.9593% (0.92   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   PHE   60  17.71 +/- 0.98   0.002% *  0.1603% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   PHE   60  21.31 +/- 1.46   0.001% *  0.3545% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   PHE   60  24.73 +/- 1.21   0.000% *  0.5467% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2735 (8.20, 3.40, 40.02 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.8, residual support = 71.9:
      O   HN    PHE   60 - HB2   PHE   60   2.04 +/- 0.29  99.991% * 99.7483% (0.61  10.0   4.80  71.95) = 100.000%  kept
          HN    THR  118 - HB2   PHE   60  11.66 +/- 0.80   0.004% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   PHE   60  11.09 +/- 0.62   0.005% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB2   PHE   60  16.95 +/- 1.04   0.001% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 3.22, residual support = 11.7:
        T QD1   LEU   63 - HA    PHE   60   2.58 +/- 0.43  92.034% * 98.2281% (1.00 10.00   3.22  11.69) =  99.995%  kept
          QD2   LEU   63 - HA    PHE   60   4.73 +/- 0.69   7.162% *  0.0556% (0.57  1.00   0.02  11.69) =   0.004%
          QD2   LEU  115 - HA    PHE   60   6.67 +/- 1.18   0.757% *  0.0820% (0.84  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HA    PHE   60  11.15 +/- 0.79   0.025% *  0.9823% (1.00 10.00   0.02   2.10) =   0.000%
        T QD1   LEU  104 - HA    PHE   60  12.66 +/- 1.08   0.013% *  0.5561% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    PHE   60  13.56 +/- 0.63   0.007% *  0.0787% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    PHE   60  16.27 +/- 1.12   0.002% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 11.7:
        T HB2   LEU   63 - HA    PHE   60   2.85 +/- 0.38  96.668% * 98.8172% (0.92 10.00   1.50  11.69) =  99.995%  kept
          HB3   ASP-  44 - HA    PHE   60   5.75 +/- 0.79   2.725% *  0.1399% (0.98  1.00   0.02   0.59) =   0.004%
          HB3   PRO   93 - HA    PHE   60   7.65 +/- 0.94   0.506% *  0.1238% (0.87  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    PHE   60  14.50 +/- 1.20   0.009% *  0.1424% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    PHE   60  14.03 +/- 1.30   0.009% *  0.1377% (0.97  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    PHE   60  14.40 +/- 0.74   0.008% *  0.1280% (0.90  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    PHE   60  14.13 +/- 1.22   0.009% *  0.0866% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   60  11.49 +/- 1.15   0.028% *  0.0220% (0.15  1.00   0.02   2.10) =   0.000%
          HB2   LYS+ 112 - HA    PHE   60  13.05 +/- 1.33   0.018% *  0.0318% (0.22  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   60  13.33 +/- 0.68   0.013% *  0.0441% (0.31  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    PHE   60  17.02 +/- 0.97   0.003% *  0.1192% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    PHE   60  17.60 +/- 1.39   0.002% *  0.0487% (0.34  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    PHE   60  19.90 +/- 0.93   0.001% *  0.0980% (0.69  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  21.39 +/- 1.24   0.001% *  0.0250% (0.18  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    PHE   60  23.20 +/- 1.40   0.000% *  0.0356% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.341, support = 0.985, residual support = 3.38:
        T QG2   VAL   18 - HA    ALA   61   4.28 +/- 1.05  93.892% * 91.0949% (0.34 10.00   0.99   3.39) =  99.865%  kept
          QD1   ILE   56 - HA    ALA   61   8.83 +/- 0.53   3.070% *  3.3327% (0.61  1.00   0.20   0.02) =   0.119%
          QD2   LEU   73 - HA    ALA   61   9.58 +/- 0.66   1.141% *  0.4697% (0.87  1.00   0.02   0.02) =   0.006%
        T QG1   VAL   41 - HA    ALA   61  14.52 +/- 0.81   0.113% *  4.1385% (0.76 10.00   0.02   0.02) =   0.005%
          QG2   THR   46 - HA    ALA   61   9.28 +/- 1.19   1.461% *  0.1350% (0.25  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HA    ALA   61  11.95 +/- 0.64   0.303% *  0.3066% (0.57  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HA    ALA   61  19.07 +/- 1.24   0.021% *  0.5226% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 14 structures by 1.41 A, kept.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.61, residual support = 7.54:
        T QB    ALA   64 - HA    ALA   61   2.91 +/- 0.35  99.849% * 98.7496% (0.34 10.00   2.61   7.54) = 100.000%  kept
        T QG1   VAL   75 - HA    ALA   61  12.49 +/- 0.81   0.022% *  1.0865% (0.38 10.00   0.02   0.02) =   0.000%
          QD1   LEU  115 - HA    ALA   61   9.73 +/- 1.41   0.130% *  0.1639% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 7.54:
          HN    ALA   64 - HA    ALA   61   3.41 +/- 0.17 100.000% *100.0000% (0.84   0.75   7.54) = 100.000%  kept
    Distance limit 3.93 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 = 2.77, residual support = 18.0:
      O   HN    ALA   61 - HA    ALA   61   2.81 +/- 0.03  99.993% * 98.9218% (0.38  10.0   2.77  18.01) = 100.000%  kept
          HD1   TRP   87 - HA    ALA   61  18.07 +/- 0.62   0.001% *  0.2364% (0.90   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ALA   61  18.24 +/- 1.00   0.001% *  0.2111% (0.80   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ALA   61  19.58 +/- 0.92   0.001% *  0.2433% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ALA   61  18.48 +/- 0.78   0.001% *  0.1182% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ALA   61  22.99 +/- 0.97   0.000% *  0.1387% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    ALA   61  21.50 +/- 1.26   0.001% *  0.0899% (0.34   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  19.98 +/- 0.81   0.001% *  0.0407% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2743 (7.27, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.725, support = 3.8, residual support = 71.4:
      O   QD    PHE   60 - HB3   PHE   60   2.60 +/- 0.16  84.794% * 94.1624% (0.73  10.0   3.83  71.95) =  99.028%  kept
          QE    PHE   59 - HB3   PHE   60   5.61 +/- 2.29  13.929% *  5.6235% (0.65   1.0   1.34  20.24) =   0.971%  kept
          HN    PHE   59 - HB3   PHE   60   5.46 +/- 0.45   1.234% *  0.0361% (0.28   1.0   0.02  20.24) =   0.001%
          HN    LYS+  66 - HB3   PHE   60   9.32 +/- 0.34   0.043% *  0.1294% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PHE   60  18.79 +/- 0.93   0.001% *  0.0487% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 4.94, residual support = 71.9:
      O   HN    PHE   60 - HB3   PHE   60   2.89 +/- 0.32  99.996% * 99.5797% (0.20  10.0   4.94  71.95) = 100.000%  kept
          HN    GLU-  15 - HB3   PHE   60  16.40 +/- 0.88   0.004% *  0.4203% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.878, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  14.73 +/- 1.10  58.587% * 23.9067% (0.95   0.02   0.02) =  68.794%  kept
          HN    THR   39 - HB3   PHE   60  20.61 +/- 1.31   8.183% * 23.3294% (0.92   0.02   0.02) =   9.377%  kept
          HN    LYS+ 102 - HB3   PHE   60  20.36 +/- 1.96   9.090% * 20.2366% (0.80   0.02   0.02) =   9.035%  kept
          HN    TRP   27 - HB3   PHE   60  17.51 +/- 0.89  20.713% *  8.6206% (0.34   0.02   0.02) =   8.770%  kept
          HN    GLU-  36 - HB3   PHE   60  23.72 +/- 1.28   3.427% * 23.9067% (0.95   0.02   0.02) =   4.024%  kept
    Distance limit 3.54 A violated in 20 structures by 9.89 A, eliminated.
    Peak unassigned.
 
    Peak 2746 (4.12, 1.35, 18.25 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 2.31, residual support = 5.56:
          HA    LYS+  81 - QB    ALA   84   2.33 +/- 0.18  99.985% * 58.7587% (0.33  1.00   2.31   5.56) =  99.998%  kept
        T HA    ASN   28 - QB    ALA   84  11.94 +/- 0.56   0.006% * 13.7633% (0.89 10.00   0.02   0.02) =   0.001%
        T HA    ALA   34 - QB    ALA   84  18.45 +/- 0.49   0.000% * 11.3943% (0.74 10.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   84  15.11 +/- 1.17   0.002% *  1.2933% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   84  15.73 +/- 0.76   0.001% *  1.3371% (0.87  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   84  13.43 +/- 0.31   0.003% *  0.2300% (0.15  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   84  26.31 +/- 0.93   0.000% * 11.3943% (0.74 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA   84  17.57 +/- 2.06   0.001% *  0.8441% (0.55  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   84  17.73 +/- 1.16   0.001% *  0.6130% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   84  22.47 +/- 0.54   0.000% *  0.3718% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.184, support = 2.22, residual support = 19.5:
          HA    SER   85 - QB    ALA   84   3.79 +/- 0.04  43.275% * 37.5542% (0.15  1.00   2.33  20.74) =  93.843%  kept
          HA    ASP-  86 - QB    ALA   84   6.50 +/- 0.06   1.710% * 51.2538% (0.84  1.00   0.57   0.02) =   5.061%  kept
          HB    THR   77 - QB    ALA   84   3.70 +/- 0.52  53.526% *  0.3223% (0.15  1.00   0.02   0.02) =   0.996%  kept
        T HA    ASP-  44 - QB    ALA   84   9.13 +/- 0.44   0.240% *  4.1342% (0.19 10.00   0.02   0.02) =   0.057%
          HA    TRP   87 - QB    ALA   84   6.85 +/- 0.18   1.242% *  0.5808% (0.27  1.00   0.02   0.02) =   0.042%
          HA    LEU  104 - QB    ALA   84  17.61 +/- 0.69   0.005% *  2.0161% (0.93  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QB    ALA   84  22.26 +/- 1.09   0.001% *  1.9285% (0.89  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    ALA   84  26.95 +/- 1.35   0.000% *  1.7449% (0.81  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   84  28.71 +/- 1.72   0.000% *  0.4651% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.19, residual support = 18.0:
      O   HN    ALA   84 - QB    ALA   84   2.04 +/- 0.05  99.942% * 98.8488% (0.30  10.0   4.19  18.03) = 100.000%  kept
          HZ2   TRP   87 - QB    ALA   84   7.63 +/- 0.48   0.040% *  0.2326% (0.70   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    ALA   84   9.61 +/- 0.75   0.010% *  0.2872% (0.87   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    ALA   84  11.07 +/- 1.40   0.006% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - QB    ALA   84  14.39 +/- 0.81   0.001% *  0.2200% (0.66   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QB    ALA   84  14.12 +/- 0.77   0.001% *  0.0988% (0.30   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    ALA   84  17.10 +/- 0.64   0.000% *  0.2564% (0.77   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 0.773, support = 3.87, residual support = 20.7:
          HN    SER   85 - QB    ALA   84   2.72 +/- 0.09  98.299% * 98.8044% (0.77   3.87  20.74) =  99.997%  kept
          HN    LEU   80 - QB    ALA   84   5.42 +/- 0.33   1.679% *  0.1969% (0.30   0.02   0.02) =   0.003%
          HN    GLN   32 - QB    ALA   84  15.68 +/- 0.49   0.003% *  0.6380% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   84  11.63 +/- 0.88   0.018% *  0.0984% (0.15   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    ALA   84  17.16 +/- 0.48   0.002% *  0.2623% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2751 (7.46, 1.48, 18.41 ppm):
    3 chemical-shift based assignments, quality = 0.927, support = 0.02, residual support = 24.4:
          HN    LEU  123 - QB    ALA  120   3.87 +/- 0.11  95.477% * 42.6516% (0.94   0.02  25.10) =  97.182%  kept
          HN    ALA  124 - QB    ALA  120   6.44 +/- 0.26   4.517% * 26.1005% (0.57   0.02   0.02) =   2.814%  kept
          HE21  GLN   17 - QB    ALA  120  20.14 +/- 1.23   0.005% * 31.2479% (0.69   0.02   0.02) =   0.004%
    Distance limit 2.73 A violated in 19 structures by 1.11 A, eliminated.
    Peak unassigned.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 2.36, residual support = 6.39:
        T HA    SER  117 - QB    ALA  120   2.54 +/- 0.37  99.988% * 99.1094% (0.54 10.00   2.36   6.39) = 100.000%  kept
          HA    ALA   57 - QB    ALA  120  13.58 +/- 0.78   0.005% *  0.1656% (0.89  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA  120  14.12 +/- 0.77   0.005% *  0.0307% (0.17  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA  120  17.75 +/- 1.38   0.001% *  0.0991% (0.54  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA  120  20.13 +/- 1.03   0.001% *  0.1202% (0.65  1.00   0.02   0.02) =   0.000%
        T HB    THR   26 - QB    ALA  120  24.84 +/- 0.68   0.000% *  0.3897% (0.21 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA  120  26.46 +/- 0.55   0.000% *  0.0852% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 4.02, residual support = 18.0:
      O   HN    ALA   61 - QB    ALA   61   2.08 +/- 0.07  99.949% * 99.3531% (0.97  10.0   4.02  18.01) = 100.000%  kept
          HN    ALA   91 - QB    ALA  110   8.32 +/- 1.03   0.036% *  0.0755% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA  110  10.42 +/- 2.08   0.010% *  0.0735% (0.71   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA  110  14.48 +/- 1.11   0.001% *  0.0553% (0.54   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA   61  15.91 +/- 0.70   0.001% *  0.1020% (0.99   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  12.92 +/- 0.74   0.002% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   61  16.68 +/- 0.96   0.000% *  0.0923% (0.90   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  18.12 +/- 0.78   0.000% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  16.29 +/- 0.64   0.000% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  19.62 +/- 0.89   0.000% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  18.28 +/- 0.76   0.000% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  23.48 +/- 1.07   0.000% *  0.0235% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 2.79 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   2.59 +/- 0.23  99.846% * 99.6796% (0.87  10.0   2.12   9.59) = 100.000%  kept
          HN    PHE   45 - QB    ALA  110   9.22 +/- 1.21   0.065% *  0.0743% (0.65   1.0   0.02   0.02) =   0.000%
          HN    PHE   45 - QB    ALA   61  10.23 +/- 0.58   0.032% *  0.0550% (0.48   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA   61  10.08 +/- 0.74   0.037% *  0.0236% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   61  12.79 +/- 1.34   0.008% *  0.0738% (0.64   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA  110  12.42 +/- 1.25   0.010% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  19.07 +/- 1.02   0.001% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  20.83 +/- 0.95   0.000% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2755 (7.86, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 0.989, support = 2.77, residual support = 8.21:
          HN    ASP-  62 - QB    ALA   61   2.81 +/- 0.18  89.534% * 85.8153% (1.00   2.79   8.31) =  98.718%  kept
          HN    PHE   55 - QB    ALA  110   5.10 +/- 2.47   8.991% * 11.0282% (0.33   1.08   0.28) =   1.274%  kept
          HN    ARG+  54 - QB    ALA  110   6.47 +/- 2.34   1.344% *  0.3960% (0.64   0.02   0.02) =   0.007%
          HN    ARG+  54 - QB    ALA   61  10.16 +/- 0.87   0.048% *  0.5351% (0.87   0.02   0.02) =   0.000%
          HN    PHE   55 - QB    ALA   61  10.04 +/- 0.87   0.051% *  0.2766% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA  110  11.29 +/- 1.87   0.028% *  0.4555% (0.74   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   61  17.80 +/- 0.98   0.002% *  0.6047% (0.98   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA  110  21.12 +/- 0.89   0.001% *  0.4475% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA   61  20.35 +/- 0.76   0.001% *  0.2536% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA  110  25.14 +/- 0.96   0.000% *  0.1877% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 0.843, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  18.94 +/- 1.55  37.267% * 28.1529% (1.00   0.02   0.02) =  46.213%  kept
          HA    GLU-  14 - HB2   ASP-  62  18.67 +/- 1.10  39.573% * 21.5631% (0.76   0.02   0.02) =  37.586%  kept
          HA    ALA   12 - HB2   ASP-  62  24.56 +/- 1.78   7.938% * 18.2527% (0.65   0.02   0.02) =   6.382%  kept
          HA    TRP   87 - HB2   ASP-  62  23.18 +/- 1.02  10.711% * 12.6499% (0.45   0.02   0.02) =   5.968%  kept
          HA    ASP-  86 - HB2   ASP-  62  26.71 +/- 0.75   4.512% * 19.3814% (0.69   0.02   0.02) =   3.852%  kept
    Distance limit 3.38 A violated in 20 structures by 12.47 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.788, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB3   ASP-  62  18.33 +/- 1.34  40.206% * 10.2586% (0.98  1.00   0.02   0.02) =  35.957%  kept
        T HA    ASP-  86 - HB3   ASP-  62  25.85 +/- 0.88   4.985% * 70.6236% (0.67 10.00   0.02   0.02) =  30.694%  kept
          HA    GLU-  14 - HB3   ASP-  62  18.68 +/- 1.10  35.589% *  7.8573% (0.75  1.00   0.02   0.02) =  24.378%  kept
          HA    TRP   87 - HB3   ASP-  62  22.32 +/- 0.96  12.210% *  4.6095% (0.44  1.00   0.02   0.02) =   4.906%  kept
          HA    ALA   12 - HB3   ASP-  62  24.64 +/- 1.73   7.011% *  6.6511% (0.63  1.00   0.02   0.02) =   4.065%  kept
    Distance limit 3.12 A violated in 20 structures by 12.49 A, eliminated.
    Peak unassigned.
 
    Peak 2758 (6.93, 4.22, 57.45 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 1.01, residual support = 3.8:
          HN    LYS+  65 - HA    ASP-  62   3.32 +/- 0.17 100.000% *100.0000% (0.15   1.01   3.80) = 100.000%  kept
    Distance limit 3.56 A violated in 0 structures by 0.01 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   2.78 +/- 0.03  99.990% * 99.7294% (1.00  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HA    ASP-  62  15.36 +/- 0.86   0.004% *  0.0867% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ASP-  62  14.48 +/- 0.86   0.005% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ASP-  62  22.42 +/- 0.81   0.000% *  0.0980% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  23.61 +/- 0.62   0.000% *  0.0411% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 5.24, residual support = 42.4:
          HN    LEU   63 - HB2   ASP-  62   3.58 +/- 0.45  99.774% * 98.7116% (0.97   5.24  42.42) =  99.999%  kept
          HN    ILE   56 - HB2   ASP-  62  10.92 +/- 0.79   0.178% *  0.3504% (0.90   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HB2   ASP-  62  13.82 +/- 1.37   0.043% *  0.2055% (0.53   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASP-  62  22.35 +/- 0.91   0.002% *  0.1902% (0.49   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASP-  62  25.03 +/- 1.09   0.001% *  0.2684% (0.69   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   ASP-  62  24.19 +/- 0.57   0.001% *  0.2055% (0.53   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   ASP-  62  30.50 +/- 0.96   0.000% *  0.0684% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.11 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   2.80 +/- 0.43  99.992% * 99.6462% (0.69  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HB2   ASP-  62  14.32 +/- 1.01   0.007% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ASP-  62  24.65 +/- 0.84   0.000% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ASP-  62  23.32 +/- 0.86   0.000% *  0.0880% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2762 (7.60, 2.45, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 5.24, residual support = 42.4:
          HN    LEU   63 - HB3   ASP-  62   2.87 +/- 0.41  99.923% * 98.7116% (0.95   5.24  42.42) = 100.000%  kept
          HN    ILE   56 - HB3   ASP-  62  10.31 +/- 0.81   0.061% *  0.3504% (0.88   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   ASP-  62  13.07 +/- 1.51   0.015% *  0.2055% (0.52   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   ASP-  62  21.55 +/- 1.24   0.001% *  0.1902% (0.48   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   ASP-  62  24.31 +/- 0.81   0.000% *  0.2684% (0.67   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   ASP-  62  23.37 +/- 0.89   0.000% *  0.2055% (0.52   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   ASP-  62  29.96 +/- 1.02   0.000% *  0.0684% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.02 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   2.37 +/- 0.32  99.991% * 99.7294% (0.98  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HB3   ASP-  62  13.79 +/- 0.98   0.003% *  0.0867% (0.85   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HB3   ASP-  62  12.56 +/- 0.98   0.005% *  0.0448% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ASP-  62  22.72 +/- 0.67   0.000% *  0.0980% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ASP-  62  24.25 +/- 0.84   0.000% *  0.0411% (0.40   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2764 (1.82, 3.50, 57.67 ppm):
    9 chemical-shift based assignments, quality = 0.987, support = 1.95, residual support = 5.38:
          QB    LYS+  66 - HA    LEU   63   2.68 +/- 0.48  96.751% * 47.3872% (1.00   1.90   5.50) =  96.971%  kept
          QB    LYS+  65 - HA    LEU   63   5.23 +/- 0.20   2.856% * 50.1095% (0.57   3.55   1.46) =   3.027%  kept
          HG    LEU  123 - HA    LEU   63   8.53 +/- 1.23   0.186% *  0.2821% (0.57   0.02   0.02) =   0.001%
          HB2   LEU   71 - HA    LEU   63  11.69 +/- 1.96   0.184% *  0.2622% (0.53   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    LEU   63  14.02 +/- 1.12   0.008% *  0.4469% (0.90   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU   63  14.71 +/- 0.68   0.007% *  0.4714% (0.95   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   63  16.09 +/- 1.46   0.004% *  0.4162% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   63  17.08 +/- 1.04   0.002% *  0.3423% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU   63  18.66 +/- 1.57   0.001% *  0.2821% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.535, support = 1.59, residual support = 5.63:
          HN    LYS+  66 - HA    LEU   63   3.36 +/- 0.21  94.458% * 48.8565% (0.53   1.60   5.50) =  97.918%  kept
          QD    PHE   60 - HA    LEU   63   6.68 +/- 0.60   1.956% * 49.8885% (0.97   0.89  11.69) =   2.070%  kept
          QE    PHE   59 - HA    LEU   63   6.58 +/- 1.12   3.586% *  0.1571% (0.14   0.02   0.41) =   0.012%
          HN    LYS+  81 - HA    LEU   63  24.57 +/- 0.83   0.001% *  1.0979% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.46, residual support = 240.5:
      O   HN    LEU   63 - HA    LEU   63   2.80 +/- 0.03  99.982% * 99.6457% (1.00  10.0   7.46 240.48) = 100.000%  kept
          HN    ILE   56 - HA    LEU   63  13.23 +/- 0.63   0.009% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    LEU   63  14.27 +/- 1.43   0.007% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  19.40 +/- 1.14   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HA    LEU   63  22.43 +/- 0.93   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    LEU   63  21.97 +/- 0.84   0.000% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  26.58 +/- 0.84   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2767 (3.93, 1.34, 41.55 ppm):
    10 chemical-shift based assignments, quality = 0.487, support = 1.5, residual support = 11.7:
        T HA    PHE   60 - HB2   LEU   63   2.85 +/- 0.38  99.400% * 98.4768% (0.49 10.00   1.50  11.69) =  99.999%  kept
          HA    ALA  120 - HB2   LEU   63  10.14 +/- 1.39   0.122% *  0.1419% (0.53  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   LEU   63   7.71 +/- 0.22   0.324% *  0.0472% (0.18  1.00   0.02   1.46) =   0.000%
          QB    SER  117 - HB2   LEU   63  11.12 +/- 1.12   0.056% *  0.2644% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   LEU   63  11.99 +/- 1.38   0.037% *  0.2490% (0.92  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU   63  12.37 +/- 0.98   0.021% *  0.2340% (0.87  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU   63  11.44 +/- 0.77   0.034% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU   63  17.67 +/- 1.14   0.003% *  0.2062% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU   63  18.09 +/- 0.76   0.002% *  0.2603% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU   63  20.91 +/- 0.81   0.001% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 7.29, residual support = 54.6:
          HN    ALA   64 - HB2   LEU   63   2.94 +/- 0.30 100.000% *100.0000% (0.57   7.29  54.62) = 100.000%  kept
    Distance limit 3.65 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 = 2.66, residual support = 17.7:
          QE    PHE   72 - HB2   LEU   63   3.77 +/- 1.83  99.518% * 99.3533% (0.99   2.66  17.71) =  99.998%  kept
          HN    ALA   47 - HB2   LEU   63  13.68 +/- 1.04   0.432% *  0.3374% (0.45   0.02   0.02) =   0.001%
          HD22  ASN   28 - HB2   LEU   63  19.62 +/- 0.86   0.049% *  0.3094% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 5 structures by 0.69 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.82, residual support = 240.5:
      O   HN    LEU   63 - HB2   LEU   63   2.10 +/- 0.10  99.992% * 99.6457% (1.00  10.0   7.82 240.48) = 100.000%  kept
          HN    ILE   56 - HB2   LEU   63  11.15 +/- 0.70   0.005% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   LEU   63  12.54 +/- 1.62   0.003% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  19.92 +/- 0.96   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  17.45 +/- 1.03   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LEU   63  20.11 +/- 0.99   0.000% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  25.75 +/- 0.89   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2771 (7.84, 1.34, 41.55 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 4.54, residual support = 42.4:
          HN    ASP-  62 - HB2   LEU   63   4.42 +/- 0.12  99.751% * 98.5490% (0.76   4.54  42.42) =  99.999%  kept
          HN    PHE   55 - HB2   LEU   63  13.51 +/- 0.73   0.128% *  0.5094% (0.90   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB2   LEU   63  14.34 +/- 0.74   0.089% *  0.2335% (0.41   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   LEU   63  18.42 +/- 0.70   0.020% *  0.4745% (0.84   0.02   0.02) =   0.000%
          HN    ALA   88 - HB2   LEU   63  19.97 +/- 0.87   0.012% *  0.2335% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.73, residual support = 54.6:
          HN    ALA   64 - HB3   LEU   63   3.32 +/- 0.55 100.000% *100.0000% (0.57   6.73  54.62) = 100.000%  kept
    Distance limit 3.98 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.98, residual support = 17.7:
        T HZ    PHE   72 - HB3   LEU   63   3.57 +/- 2.14  99.768% * 99.9822% (0.87 10.00   2.98  17.71) = 100.000%  kept
          HZ2   TRP   27 - HB3   LEU   63  16.05 +/- 1.39   0.232% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 4 structures by 0.80 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.48, residual support = 240.5:
      O   HN    LEU   63 - HB3   LEU   63   3.36 +/- 0.12  99.921% * 99.6457% (1.00  10.0   7.48 240.48) = 100.000%  kept
          HN    ILE   56 - HB3   LEU   63  12.68 +/- 0.71   0.036% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   LEU   63  13.40 +/- 1.61   0.031% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  17.12 +/- 1.17   0.006% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LEU   63  20.14 +/- 1.19   0.002% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   LEU   63  19.71 +/- 1.28   0.003% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  24.82 +/- 1.03   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2775 (7.60, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 7.41, residual support = 240.5:
          HN    LEU   63 - HG    LEU   63   3.25 +/- 0.34  98.239% * 98.9205% (0.76   7.41 240.48) =  99.999%  kept
          QE    PHE   60 - HG    LEU   63   7.37 +/- 1.04   1.659% *  0.0692% (0.20   0.02  11.69) =   0.001%
          HN    ILE   56 - HG    LEU   63  11.75 +/- 1.02   0.049% *  0.2261% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG    LEU   63  12.27 +/- 1.42   0.044% *  0.0972% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG    LEU   63  17.90 +/- 1.75   0.005% *  0.2671% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG    LEU   63  20.90 +/- 1.17   0.002% *  0.3227% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HG    LEU   63  20.72 +/- 1.41   0.002% *  0.0972% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.135, support = 3.21, residual support = 11.7:
        T HA    PHE   60 - QD1   LEU   63   2.58 +/- 0.43  96.995% * 82.9128% (0.14 10.00   3.22  11.69) =  99.830%  kept
          HA    ALA  120 - QD1   LEU   63   7.91 +/- 1.30   1.963% *  6.7797% (0.95  1.00   0.23   0.02) =   0.165%
          QB    SER  117 - QD1   LEU   63   7.90 +/- 0.91   0.265% *  0.3716% (0.61  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - QD1   LEU   63   8.91 +/- 0.95   0.135% *  0.5655% (0.92  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - QD1   LEU   63   8.29 +/- 0.38   0.157% *  0.3469% (0.57  1.00   0.02   1.46) =   0.001%
          HB    THR   94 - QD1   LEU   63   9.13 +/- 1.35   0.075% *  0.5912% (0.97  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - QD1   LEU  104   8.55 +/- 1.10   0.174% *  0.1384% (0.23  1.00   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU   73  11.15 +/- 0.79   0.026% *  0.8291% (0.14 10.00   0.02   2.10) =   0.000%
          HB    THR   94 - QD1   LEU   73  10.24 +/- 0.56   0.036% *  0.5912% (0.97  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   63  11.15 +/- 0.84   0.026% *  0.3963% (0.65  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   73  11.98 +/- 0.93   0.014% *  0.3963% (0.65  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   73  12.64 +/- 0.67   0.010% *  0.3963% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU  104  11.31 +/- 1.20   0.026% *  0.1419% (0.23  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU  104  10.62 +/- 0.74   0.037% *  0.0910% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   73  14.07 +/- 0.73   0.005% *  0.6113% (1.00  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU   73  12.97 +/- 0.66   0.009% *  0.3469% (0.57  1.00   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU  104  12.66 +/- 1.08   0.013% *  0.2030% (0.03 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   63  14.61 +/- 1.24   0.004% *  0.6113% (1.00  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   63  14.87 +/- 0.88   0.004% *  0.5314% (0.87  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  104  13.79 +/- 1.00   0.007% *  0.1447% (0.24  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD1   LEU   73  17.38 +/- 0.89   0.002% *  0.5655% (0.92  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU   73  17.88 +/- 1.01   0.002% *  0.5795% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU   73  16.39 +/- 0.67   0.002% *  0.3716% (0.61  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   63  16.43 +/- 1.21   0.002% *  0.3963% (0.65  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   73  19.43 +/- 0.79   0.001% *  0.5314% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU  104  14.56 +/- 1.17   0.005% *  0.0849% (0.14  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  104  15.35 +/- 1.43   0.004% *  0.0970% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  104  17.69 +/- 1.09   0.001% *  0.0970% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  104  21.17 +/- 1.00   0.000% *  0.1496% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  104  23.90 +/- 0.94   0.000% *  0.1301% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 2.04, residual support = 14.3:
        T HZ3   TRP   27 - QD1   LEU   73   2.87 +/- 1.00  97.039% * 98.4449% (0.49 10.00   2.04  14.34) =  99.995%  kept
          HZ    PHE   45 - QD1   LEU   73   6.67 +/- 0.74   2.527% *  0.1469% (0.73  1.00   0.02   0.02) =   0.004%
        T HZ3   TRP   27 - QD1   LEU   63  11.47 +/- 1.10   0.087% *  0.9844% (0.49 10.00   0.02   0.02) =   0.001%
          HZ    PHE   45 - QD1   LEU   63  11.08 +/- 1.33   0.190% *  0.1469% (0.73  1.00   0.02   0.02) =   0.000%
        T HZ3   TRP   27 - QD1   LEU  104  10.88 +/- 1.54   0.093% *  0.2410% (0.12 10.00   0.02   0.02) =   0.000%
          HZ    PHE   45 - QD1   LEU  104  12.79 +/- 1.14   0.065% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 1 structures by 0.18 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.736, support = 1.08, residual support = 7.57:
          QD    PHE   60 - QD1   LEU   63   3.98 +/- 0.64  26.111% * 44.8887% (0.87   1.39  11.69) =  62.369%  kept
          QE    PHE   59 - QD1   LEU   63   3.38 +/- 1.59  70.582% *  9.3234% (0.49   0.52   0.41) =  35.017%  kept
          HN    LYS+  66 - QD1   LEU   63   6.21 +/- 0.42   1.148% * 42.4908% (0.95   1.21   5.50) =   2.596%  kept
          HN    PHE   59 - QD1   LEU   63   5.79 +/- 0.68   1.920% *  0.1301% (0.18   0.02   0.41) =   0.013%
          QD    PHE   60 - QD1   LEU   73   9.08 +/- 0.76   0.108% *  0.6445% (0.87   0.02   2.10) =   0.004%
          HN    LYS+  66 - QD1   LEU   73  13.15 +/- 0.36   0.010% *  0.7029% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   73  12.09 +/- 0.65   0.018% *  0.3909% (0.53   0.02   0.02) =   0.000%
          QE    PHE   59 - QD1   LEU   73  12.35 +/- 2.38   0.014% *  0.3617% (0.49   0.02   0.02) =   0.000%
          QD    PHE   60 - QD1   LEU  104  12.32 +/- 1.10   0.027% *  0.1578% (0.21   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU  104  12.68 +/- 1.21   0.019% *  0.1720% (0.23   0.02   0.02) =   0.000%
          QE    PHE   59 - QD1   LEU  104  10.97 +/- 1.99   0.032% *  0.0885% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   63  17.78 +/- 1.20   0.002% *  0.3909% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU   73  15.29 +/- 0.80   0.004% *  0.1301% (0.18   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU  104  15.83 +/- 1.14   0.004% *  0.0319% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  104  21.27 +/- 1.14   0.001% *  0.0957% (0.13   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.759, support = 6.43, residual support = 236.5:
          HN    LEU   63 - QD1   LEU   63   3.44 +/- 0.41  82.247% * 73.7137% (0.76   6.51 240.48) =  98.272%  kept
          QE    PHE   60 - QD1   LEU   63   5.36 +/- 0.90  11.937% *  5.4411% (0.20   1.86  11.69) =   1.053%  kept
          HD21  ASN   28 - QD1   LEU   73   6.65 +/- 0.68   2.179% * 18.8417% (0.92   1.38   0.38) =   0.666%  kept
          HZ2   TRP   87 - QD1   LEU   73   7.24 +/- 1.64   1.791% *  0.2264% (0.76   0.02   0.02) =   0.007%
          HN    ILE   56 - QD1   LEU   63   8.97 +/- 0.74   0.309% *  0.1916% (0.65   0.02   0.02) =   0.001%
          QE    PHE   60 - QD1   LEU   73   8.10 +/- 0.94   0.781% *  0.0586% (0.20   0.02   2.10) =   0.001%
          HN    LYS+ 111 - QD1   LEU   63   9.03 +/- 1.19   0.367% *  0.0824% (0.28   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU   73  12.39 +/- 0.55   0.045% *  0.2264% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   73  10.75 +/- 0.71   0.112% *  0.0824% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU   63  13.53 +/- 1.56   0.033% *  0.2264% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU   63  16.24 +/- 0.87   0.009% *  0.2735% (0.92   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU  104  12.63 +/- 1.04   0.045% *  0.0554% (0.19   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU  104  13.14 +/- 1.44   0.042% *  0.0554% (0.19   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU   73  16.45 +/- 1.00   0.009% *  0.1916% (0.65   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   63  15.74 +/- 1.32   0.012% *  0.0824% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU  104  15.81 +/- 1.35   0.011% *  0.0669% (0.23   0.02   0.02) =   0.000%
          QE    PHE   60 - QD1   LEU  104  12.64 +/- 1.09   0.043% *  0.0144% (0.05   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   73  17.06 +/- 1.29   0.007% *  0.0824% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  15.51 +/- 1.23   0.012% *  0.0202% (0.07   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU  104  18.42 +/- 0.99   0.004% *  0.0469% (0.16   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  18.22 +/- 1.16   0.005% *  0.0202% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2782 (6.47, 2.84, 53.98 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.23, residual support = 20.8:
      O   HN    ALA   64 - HA    ALA   64   2.82 +/- 0.03 100.000% *100.0000% (0.97  10.0   4.23  20.80) = 100.000%  kept
    Distance limit 3.45 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 = 0.765, support = 2.98, residual support = 39.2:
        T QD    PHE   72 - HA    ALA   64   3.00 +/- 0.47  56.010% * 60.4788% (0.87 10.00   3.10  39.24) =  66.116%  kept
        T HZ    PHE   72 - HA    ALA   64   3.33 +/- 0.74  43.981% * 39.4733% (0.57 10.00   2.74  39.24) =  33.884%  kept
          QE    PHE   45 - HA    ALA   64  12.88 +/- 0.77   0.009% *  0.0479% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.871, support = 0.972, residual support = 3.57:
          HN    LEU   67 - HA    ALA   64   3.30 +/- 0.34  97.389% * 45.4887% (0.87   0.97   3.67) =  97.130%  kept
          QE    PHE   95 - HA    ALA   64   7.01 +/- 1.54   2.558% * 51.1598% (0.98   0.97   0.14) =   2.869%  kept
          HE3   TRP   27 - HA    ALA   64  13.96 +/- 1.00   0.027% *  0.6110% (0.57   0.02   0.02) =   0.000%
          HN    THR   23 - HA    ALA   64  17.27 +/- 0.84   0.007% *  1.0696% (0.99   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    ALA   64  16.37 +/- 0.79   0.009% *  0.6981% (0.65   0.02   0.02) =   0.000%
          HD2   HIS   22 - HA    ALA   64  17.35 +/- 0.97   0.007% *  0.4050% (0.38   0.02   0.02) =   0.000%
          HD1   TRP   49 - HA    ALA   64  20.82 +/- 1.94   0.003% *  0.5678% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2786 (0.76, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.825, support = 2.29, residual support = 8.37:
          QG2   VAL   18 - QB    ALA   64   3.09 +/- 0.81  93.698% * 56.9540% (0.84   2.26   8.55) =  97.819%  kept
          QD2   LEU   73 - QB    ALA   64   6.10 +/- 0.39   2.905% * 40.6230% (0.38   3.59   0.22) =   2.163%  kept
          QD1   ILE   19 - QB    ALA   64   6.82 +/- 1.02   1.652% *  0.2260% (0.38   0.02   0.02) =   0.007%
          QG1   VAL   43 - QB    ALA   64   8.54 +/- 0.44   0.414% *  0.5903% (0.98   0.02   0.02) =   0.004%
          QG2   THR   46 - QB    ALA   64   8.64 +/- 0.83   0.344% *  0.4373% (0.73   0.02   0.02) =   0.003%
          QG1   VAL   41 - QB    ALA   64   9.93 +/- 0.70   0.205% *  0.5969% (0.99   0.02   0.02) =   0.002%
          QD1   ILE   56 - QB    ALA   64   8.97 +/- 0.79   0.690% *  0.1055% (0.18   0.02   0.02) =   0.001%
          QD2   LEU  104 - QB    ALA   64  12.23 +/- 0.84   0.065% *  0.1502% (0.25   0.02   0.02) =   0.000%
          HG    LEU   31 - QB    ALA   64  13.73 +/- 1.06   0.027% *  0.3168% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 1 structures by 0.34 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.923, support = 1.22, residual support = 6.31:
          QB    ALA   61 - QB    ALA   64   4.07 +/- 0.27  62.189% * 19.3492% (0.92   1.22   7.54) =  67.848%  kept
          HB3   LEU   67 - QB    ALA   64   5.30 +/- 0.80  17.041% * 21.6298% (0.99   1.27   3.67) =  20.783%  kept
          QG    LYS+  66 - QB    ALA   64   6.30 +/- 0.45   5.009% * 20.1415% (0.98   1.19   6.57) =   5.688%  kept
          HG12  ILE   19 - QB    ALA   64   7.00 +/- 1.16   4.368% *  8.9839% (0.65   0.81   0.02) =   2.213%  kept
          HG    LEU   73 - QB    ALA   64   7.89 +/- 0.68   1.332% * 25.7745% (0.87   1.73   0.22) =   1.936%  kept
          HG    LEU   67 - QB    ALA   64   6.04 +/- 0.93   9.172% *  2.9481% (0.28   0.62   3.67) =   1.525%  kept
          HG    LEU   40 - QB    ALA   64   9.51 +/- 0.76   0.417% *  0.1292% (0.38   0.02   0.02) =   0.003%
          QB    ALA  110 - QB    ALA   64  11.89 +/- 1.50   0.122% *  0.2499% (0.73   0.02   0.02) =   0.002%
          HB3   LEU  115 - QB    ALA   64  11.02 +/- 1.22   0.188% *  0.1292% (0.38   0.02   0.02) =   0.001%
          HG    LEU   80 - QB    ALA   64  14.39 +/- 1.00   0.033% *  0.2630% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   64  12.65 +/- 1.63   0.094% *  0.0531% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QB    ALA   64  18.08 +/- 1.13   0.009% *  0.2630% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   64  15.07 +/- 0.83   0.025% *  0.0858% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2788 (1.44, 2.84, 53.98 ppm):
    13 chemical-shift based assignments, quality = 0.94, support = 1.84, residual support = 3.9:
          HB3   LEU   67 - HA    ALA   64   4.03 +/- 0.95  65.248% * 41.1676% (0.99   1.91   3.67) =  86.020%  kept
          HG    LEU   67 - HA    ALA   64   5.00 +/- 0.87  23.509% *  9.0449% (0.28   1.49   3.67) =   6.810%  kept
          QG    LYS+  66 - HA    ALA   64   6.48 +/- 0.37   4.854% * 32.5732% (0.98   1.53   6.57) =   5.063%  kept
          QB    ALA   61 - HA    ALA   64   6.52 +/- 0.21   4.331% * 15.0709% (0.92   0.75   7.54) =   2.090%  kept
          HG12  ILE   19 - HA    ALA   64   9.30 +/- 1.67   0.980% *  0.2816% (0.65   0.02   0.02) =   0.009%
          HG    LEU   73 - HA    ALA   64   9.92 +/- 0.94   0.410% *  0.3776% (0.87   0.02   0.22) =   0.005%
          HG    LEU   40 - HA    ALA   64   9.68 +/- 0.83   0.444% *  0.1634% (0.38   0.02   0.02) =   0.002%
          HB3   LEU  115 - HA    ALA   64  13.28 +/- 1.50   0.076% *  0.1634% (0.38   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ALA   64  14.86 +/- 1.62   0.039% *  0.3161% (0.73   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   64  13.51 +/- 2.13   0.088% *  0.0672% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   64  18.53 +/- 1.13   0.008% *  0.3327% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   64  20.17 +/- 1.39   0.006% *  0.3327% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   64  19.19 +/- 1.00   0.007% *  0.1086% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 2.72, residual support = 39.2:
        T HB3   PHE   72 - QB    ALA   64   2.92 +/- 0.56  96.984% * 99.3598% (0.76 10.00   2.72  39.24) =  99.997%  kept
          HB2   ASP-  44 - QB    ALA   64   6.21 +/- 0.56   1.603% *  0.1128% (0.87  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - QB    ALA   64   6.96 +/- 0.71   0.997% *  0.1230% (0.95  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QB    ALA   64   9.35 +/- 1.01   0.198% *  0.1086% (0.84  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QB    ALA   64   9.07 +/- 0.96   0.192% *  0.0443% (0.34  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    ALA   64  16.11 +/- 1.05   0.007% *  0.1166% (0.90  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QB    ALA   64  15.56 +/- 0.74   0.006% *  0.0893% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    ALA   64  15.58 +/- 1.08   0.009% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    ALA   64  18.12 +/- 1.25   0.003% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 2.61, residual support = 7.54:
        T HA    ALA   61 - QB    ALA   64   2.91 +/- 0.35  99.065% * 99.8142% (1.00 10.00   2.61   7.54) =  99.999%  kept
          HD2   PRO   68 - QB    ALA   64   7.01 +/- 0.59   0.798% *  0.0923% (0.92  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QB    ALA   64   9.62 +/- 0.47   0.084% *  0.0487% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   64  10.95 +/- 0.62   0.045% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   64  14.40 +/- 0.75   0.008% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 1.83, residual support = 8.55:
          HA    VAL   18 - QB    ALA   64   3.78 +/- 0.79  96.009% * 92.8641% (0.90   1.84   8.55) =  99.978%  kept
          HA    VAL   70 - QB    ALA   64   7.25 +/- 0.62   3.622% *  0.4639% (0.41   0.02   0.02) =   0.019%
          HA    GLN  116 - QB    ALA   64  11.59 +/- 0.80   0.203% *  0.4639% (0.41   0.02   0.02) =   0.001%
          HA    SER   48 - QB    ALA   64  14.66 +/- 0.83   0.044% *  1.0674% (0.95   0.02   0.02) =   0.001%
          HA    LYS+  33 - QB    ALA   64  15.47 +/- 0.76   0.032% *  0.8193% (0.73   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA   64  15.20 +/- 0.59   0.035% *  0.5936% (0.53   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   64  16.50 +/- 0.73   0.019% *  0.9788% (0.87   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   64  16.83 +/- 0.81   0.019% *  0.8193% (0.73   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    ALA   64  18.87 +/- 0.61   0.010% *  0.8623% (0.76   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    ALA   64  20.14 +/- 0.80   0.006% *  1.0674% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 2 structures by 0.41 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 1.22, residual support = 2.44:
        T HA    GLN   17 - QB    ALA   64   3.49 +/- 0.64  98.749% * 94.1632% (0.49 10.00   1.22   2.44) =  99.968%  kept
        T HA    VAL   42 - QB    ALA   64   8.35 +/- 0.56   0.902% *  3.1042% (0.98 10.00   0.02   0.02) =   0.030%
        T HA    PHE   55 - QB    ALA   64  13.77 +/- 1.04   0.045% *  2.1753% (0.69 10.00   0.02   0.02) =   0.001%
          HA    THR   46 - QB    ALA   64  10.63 +/- 0.63   0.214% *  0.1302% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   64  13.36 +/- 1.94   0.058% *  0.1189% (0.38  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   64  15.81 +/- 0.77   0.017% *  0.1541% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   64  16.69 +/- 1.18   0.015% *  0.1541% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.25, residual support = 8.55:
          HN    VAL   18 - QB    ALA   64   4.12 +/- 0.76  99.835% * 99.5979% (1.00   2.25   8.55) = 100.000%  kept
          HN    SER   13 - QB    ALA   64  13.30 +/- 1.10   0.122% *  0.2467% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    ALA   64  15.73 +/- 0.73   0.044% *  0.1554% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 6 structures by 0.54 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.864, support = 5.01, residual support = 39.2:
        T QD    PHE   72 - QB    ALA   64   2.37 +/- 0.38  93.169% * 85.8833% (0.87 10.00   5.01  39.24) =  98.819%  kept
          HZ    PHE   72 - QB    ALA   64   4.24 +/- 0.69   6.808% * 14.0487% (0.57  1.00   5.01  39.24) =   1.181%  kept
          QE    PHE   45 - QB    ALA   64  10.41 +/- 0.60   0.022% *  0.0680% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 4.23, residual support = 20.8:
      O   HN    ALA   64 - QB    ALA   64   2.02 +/- 0.07 100.000% *100.0000% (0.57  10.0   4.23  20.80) = 100.000%  kept
    Distance limit 3.02 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 = 6.09, residual support = 164.9:
      O   HN    LYS+  65 - HA    LYS+  65   2.84 +/- 0.03  99.994% * 99.9887% (0.71  10.0   6.09 164.85) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  14.86 +/- 1.44   0.006% *  0.0113% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.84, support = 0.0199, residual support = 0.0199:
          HN    GLY   16 - HA    LYS+  65   6.68 +/- 1.16  69.490% * 34.8898% (0.87   0.02   0.02) =  95.847%  kept
          HN    SER  117 - HA    LYS+ 121   7.92 +/- 0.58  30.011% *  3.1809% (0.08   0.02   0.02) =   3.774%  kept
          HN    SER  117 - HA    LYS+  65  17.44 +/- 1.03   0.300% * 28.1870% (0.71   0.02   0.02) =   0.334%
          HN    GLY   16 - HA    LYS+ 121  19.22 +/- 1.35   0.173% *  3.9373% (0.10   0.02   0.02) =   0.027%
          HN    SER   82 - HA    LYS+  65  27.31 +/- 0.94   0.016% * 26.7825% (0.67   0.02   0.02) =   0.017%
          HN    SER   82 - HA    LYS+ 121  30.21 +/- 0.99   0.010% *  3.0224% (0.08   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 20 structures by 2.85 A, eliminated.
    Peak unassigned.
 
    Peak 2799 (6.93, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 4.74, residual support = 28.0:
          HN    LYS+  65 - QB    ALA   64   2.80 +/- 0.17 100.000% *100.0000% (0.31   4.74  27.95) = 100.000%  kept
    Distance limit 3.23 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 = 4.04, residual support = 39.2:
          QE    PHE   72 - HA    ALA   64   2.59 +/- 0.43  99.999% * 99.3406% (0.65   4.04  39.24) = 100.000%  kept
          HD22  ASN   28 - HA    ALA   64  18.58 +/- 0.84   0.001% *  0.6594% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2801 (4.21, 1.80, 33.13 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 1.77, residual support = 3.8:
          HA    ASP-  62 - QB    LYS+  65   2.23 +/- 0.40  99.997% * 97.8006% (0.80   1.77   3.80) = 100.000%  kept
          HA    SER  117 - QB    LYS+  65  14.50 +/- 1.03   0.002% *  0.3080% (0.22   0.02   0.02) =   0.000%
          HB    THR   26 - QB    LYS+  65  19.71 +/- 1.04   0.001% *  0.7831% (0.57   0.02   0.02) =   0.000%
          HA    SER   82 - QB    LYS+  65  26.11 +/- 0.62   0.000% *  0.8948% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  25 - QB    LYS+  65  23.72 +/- 0.83   0.000% *  0.2134% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.7, residual support = 164.9:
      O   HN    LYS+  65 - QB    LYS+  65   2.19 +/- 0.11 100.000% *100.0000% (0.76  10.0   6.70 164.85) = 100.000%  kept
    Distance limit 2.78 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 = 6.02, residual support = 26.1:
          HN    LYS+  66 - QB    LYS+  65   2.92 +/- 0.16  99.422% * 98.7236% (0.53   6.02  26.12) =  99.997%  kept
          QD    PHE   60 - QB    LYS+  65   7.36 +/- 0.53   0.462% *  0.6020% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QB    LYS+  65   9.24 +/- 0.51   0.116% *  0.0844% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  65  23.65 +/- 0.75   0.000% *  0.5900% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.41, residual support = 164.9:
          HN    LYS+  65 - HG2   LYS+  65   3.19 +/- 0.47 100.000% *100.0000% (0.31   5.41 164.85) = 100.000%  kept
    Distance limit 3.77 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.867, support = 5.27, residual support = 164.8:
      O T HA    LYS+  65 - HG3   LYS+  65   2.98 +/- 0.59  96.052% * 93.4743% (0.87  10.0 10.00   5.27 164.85) =  99.978%  kept
        T HA    GLN   32 - HG3   LYS+  33   6.26 +/- 0.85   2.980% *  0.6392% (0.59   1.0 10.00   0.02  11.38) =   0.021%
          HA2   GLY   16 - HG3   LYS+  65   7.38 +/- 1.60   0.636% *  0.0863% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   LYS+ 102  15.07 +/- 2.47   0.032% *  0.6024% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 106  11.68 +/- 1.07   0.062% *  0.0612% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+  33  18.93 +/- 1.67   0.003% *  0.8072% (0.75   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106  10.24 +/- 0.72   0.122% *  0.0079% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  19.44 +/- 0.78   0.002% *  0.3923% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 102  17.48 +/- 1.90   0.007% *  0.1187% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  14.38 +/- 1.27   0.016% *  0.0483% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 106  19.76 +/- 1.25   0.002% *  0.3923% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+  33  15.72 +/- 1.70   0.009% *  0.0745% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  65  17.43 +/- 1.59   0.004% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  20.00 +/- 0.94   0.002% *  0.3107% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  13.95 +/- 1.14   0.018% *  0.0293% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 102  24.64 +/- 1.49   0.001% *  0.7607% (0.71   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  25.10 +/- 1.70   0.000% *  0.7402% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  15.79 +/- 0.97   0.008% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  14.41 +/- 0.80   0.014% *  0.0203% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  20.09 +/- 1.20   0.002% *  0.0935% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 102  19.50 +/- 1.56   0.003% *  0.0702% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  19.93 +/- 2.03   0.003% *  0.0567% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  19.98 +/- 1.68   0.002% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  21.50 +/- 1.65   0.001% *  0.0745% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  33  24.59 +/- 1.85   0.001% *  0.1259% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  65  19.84 +/- 1.66   0.002% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  21.24 +/- 1.83   0.002% *  0.0393% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  65  18.60 +/- 1.12   0.003% *  0.0189% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  18.79 +/- 1.29   0.003% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  21.96 +/- 1.49   0.001% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 102  24.89 +/- 1.76   0.001% *  0.0702% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  65  25.83 +/- 1.22   0.000% *  0.0863% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  24.65 +/- 1.41   0.001% *  0.0602% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  20.92 +/- 0.88   0.001% *  0.0163% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  27.04 +/- 1.30   0.000% *  0.0697% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  22.17 +/- 0.87   0.001% *  0.0186% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  33  25.66 +/- 2.00   0.000% *  0.0417% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  20.62 +/- 0.91   0.002% *  0.0113% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.20 +/- 1.39   0.000% *  0.0761% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  29.26 +/- 1.05   0.000% *  0.0807% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.18 +/- 1.42   0.000% *  0.0383% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  24.45 +/- 1.26   0.001% *  0.0232% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  27.58 +/- 1.36   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  30.07 +/- 1.37   0.000% *  0.0361% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.336, support = 2.65, residual support = 19.4:
          HN    ASP- 105 - HG3   LYS+ 106   4.09 +/- 0.25  98.960% * 91.0654% (0.34   2.65  19.38) =  99.986%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.90 +/- 1.20   0.832% *  1.3307% (0.65   0.02   0.02) =   0.012%
          HN    ALA   88 - HG3   LYS+ 106  12.94 +/- 1.12   0.125% *  0.4852% (0.24   0.02   0.02) =   0.001%
          HN    ASP- 105 - HG3   LYS+  65  18.62 +/- 1.29   0.012% *  1.6352% (0.80   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   LYS+  33  18.48 +/- 0.76   0.013% *  1.4121% (0.69   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+ 102  18.19 +/- 1.86   0.016% *  0.9409% (0.46   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  65  16.86 +/- 1.44   0.024% *  0.3151% (0.15   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  33  22.64 +/- 1.48   0.004% *  0.9984% (0.49   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  65  26.20 +/- 1.16   0.002% *  1.1562% (0.57   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 106  18.90 +/- 0.77   0.011% *  0.1322% (0.06   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 102  29.16 +/- 1.34   0.001% *  0.2564% (0.13   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  33  29.75 +/- 1.12   0.001% *  0.2721% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.0, residual support = 115.7:
      O   HN    LYS+  66 - HA    LYS+  66   2.88 +/- 0.03  99.915% * 99.6126% (0.53  10.0   5.00 115.71) = 100.000%  kept
          QD    PHE   60 - HA    LYS+  66  10.59 +/- 0.59   0.043% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - HA    LYS+  66  10.88 +/- 0.95   0.042% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+  66  28.81 +/- 0.68   0.000% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 4.97, residual support = 115.7:
      O   HN    LYS+  66 - QB    LYS+  66   2.25 +/- 0.09  99.876% * 99.6126% (0.53  10.0   4.97 115.71) = 100.000%  kept
          QD    PHE   60 - QB    LYS+  66   8.33 +/- 0.55   0.043% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - QB    LYS+  66   7.84 +/- 0.96   0.081% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  66  24.66 +/- 0.64   0.000% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 115.7:
          HN    LYS+  66 - QG    LYS+  66   3.03 +/- 0.50  94.865% * 98.1632% (0.53   4.56 115.71) =  99.996%  kept
          HN    LYS+  66 - HG    LEU   67   6.01 +/- 0.95   4.301% *  0.0331% (0.04   0.02  10.43) =   0.002%
          QD    PHE   60 - QG    LYS+  66   8.89 +/- 0.86   0.162% *  0.7898% (0.97   0.02   0.02) =   0.001%
          QE    PHE   59 - QG    LYS+  66   8.04 +/- 1.04   0.466% *  0.1108% (0.14   0.02   0.02) =   0.001%
          QD    PHE   60 - HG    LEU   67   9.89 +/- 0.97   0.111% *  0.0608% (0.07   0.02   0.02) =   0.000%
          QE    PHE   59 - HG    LEU   67  10.85 +/- 1.80   0.094% *  0.0085% (0.01   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG    LYS+  66  25.46 +/- 0.76   0.000% *  0.7742% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG    LEU   67  25.72 +/- 1.07   0.000% *  0.0596% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 4.67, residual support = 115.7:
          HN    LYS+  66 - QD    LYS+  66   3.89 +/- 0.75  94.892% * 98.1095% (0.53   4.67 115.71) =  99.995%  kept
          QD    PHE   60 - QD    LYS+  66  10.01 +/- 0.87   0.402% *  0.7710% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QD    LYS+  66   9.17 +/- 1.23   0.867% *  0.1081% (0.14   0.02   0.02) =   0.001%
          QE    PHE   59 - HD2   LYS+ 121   7.77 +/- 1.21   3.583% *  0.0134% (0.02   0.02   0.02) =   0.001%
          QD    PHE   60 - HD2   LYS+ 121  12.72 +/- 1.35   0.123% *  0.0959% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  66 - HD2   LYS+ 121  12.68 +/- 2.35   0.130% *  0.0523% (0.07   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD    LYS+  66  26.65 +/- 1.00   0.001% *  0.7558% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HD2   LYS+ 121  26.99 +/- 1.52   0.001% *  0.0940% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.475, support = 3.13, residual support = 57.4:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  91.600% * 46.3097% (0.47  10.0 10.00   2.95  57.38) =  90.764%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.67 +/- 0.24   8.303% * 51.9824% (0.53  10.0  1.00   4.88  57.38) =   9.235%  kept
        T HG    LEU   40 - HB2   LEU   67   8.26 +/- 1.42   0.013% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB2   LEU   67   6.04 +/- 0.62   0.069% *  0.0598% (0.61   1.0  1.00   0.02  10.43) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  14.05 +/- 1.74   0.000% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   LEU   67   8.59 +/- 0.50   0.007% *  0.0348% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   LEU   67  11.27 +/- 1.21   0.002% *  0.0691% (0.70   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.45 +/- 1.52   0.000% *  0.1990% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  10.99 +/- 1.93   0.003% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  11.34 +/- 1.16   0.002% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  18.85 +/- 2.02   0.000% *  0.0714% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  15.95 +/- 1.45   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  20.48 +/- 0.93   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2812 (0.99, 1.98, 42.52 ppm):
    7 chemical-shift based assignments, quality = 0.701, support = 3.31, residual support = 57.4:
      O T QD1   LEU   67 - HB2   LEU   67   2.24 +/- 0.13  95.905% * 98.6993% (0.70  10.0 10.00   3.31  57.38) =  99.998%  kept
          QD2   LEU   71 - HB2   LEU   67   7.25 +/- 1.62   3.993% *  0.0316% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU   40 - HB2   LEU   67   7.84 +/- 1.26   0.094% *  1.0025% (0.71   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HB2   LEU   67  13.26 +/- 1.80   0.003% *  0.0917% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   67  13.87 +/- 1.24   0.002% *  0.0819% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LEU   67  15.86 +/- 1.12   0.001% *  0.0703% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LEU   67  14.13 +/- 1.73   0.002% *  0.0228% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 57.4:
          HA    LEU   67 - QD2   LEU   67   2.40 +/- 0.51  99.999% * 98.8214% (0.53   2.76  57.38) = 100.000%  kept
          HA    ASP-  76 - QD2   LEU   67  17.83 +/- 0.99   0.001% *  1.1786% (0.87   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 2.96, residual support = 57.4:
      O   HG    LEU   67 - QD1   LEU   67   2.11 +/- 0.02  99.105% * 96.8242% (0.73  10.0  1.00   2.96  57.38) =  99.995%  kept
        T HG    LEU   40 - QD1   LEU   67   6.41 +/- 1.68   0.588% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.005%
          HB3   LEU   40 - QD1   LEU   67   6.57 +/- 1.29   0.230% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD1   LEU   67  11.78 +/- 1.78   0.005% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD1   LEU   67   8.85 +/- 1.79   0.035% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD1   LEU   67   9.78 +/- 1.55   0.019% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD1   LEU   67  11.60 +/- 1.45   0.006% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD1   LEU   67  11.43 +/- 2.08   0.008% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  14.78 +/- 2.15   0.002% *  0.0332% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   67  12.81 +/- 1.27   0.003% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.309, support = 3.31, residual support = 57.4:
      O T HB2   LEU   67 - QD1   LEU   67   2.24 +/- 0.13  95.476% * 98.3333% (0.31  10.0 10.00   3.31  57.38) =  99.995%  kept
          QB    GLU-  15 - QD1   LEU   67   7.42 +/- 2.45   4.178% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.004%
          HG2   PRO   68 - QD1   LEU   67   6.79 +/- 0.84   0.240% *  0.2941% (0.92   1.0  1.00   0.02  17.86) =   0.001%
          HB    ILE   19 - QD1   LEU   67   9.96 +/- 1.77   0.053% *  0.2764% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   LEU   67   9.91 +/- 1.84   0.035% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   LEU   67  12.33 +/- 2.67   0.008% *  0.2551% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   LEU   67  12.49 +/- 2.02   0.006% *  0.2188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   LEU   67  13.56 +/- 1.18   0.002% *  0.2313% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   LEU   67  15.62 +/- 2.42   0.001% *  0.0709% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   LEU   67  20.06 +/- 1.24   0.000% *  0.1428% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.19, residual support = 57.4:
      O   QD2   LEU   67 - HG    LEU   67   2.11 +/- 0.01  90.189% * 99.2738% (0.87  10.0  1.00   2.19  57.38) =  99.996%  kept
        T QD1   LEU   40 - HG    LEU   67   5.88 +/- 1.50   0.508% *  0.6942% (0.61   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   67 - QG    LYS+  66   4.91 +/- 1.25   2.428% *  0.0076% (0.07   1.0  1.00   0.02  10.43) =   0.000%
          QG2   ILE  119 - QG    LYS+  66   4.20 +/- 1.50   6.780% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG    LEU   67   7.80 +/- 1.57   0.080% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   9.53 +/- 1.01   0.014% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2817 (0.63, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.374, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - QD1   LEU   67   7.33 +/- 2.05  93.227% * 12.0360% (0.22   0.02   0.02) =  77.786%  kept
          QG2   ILE   89 - QD1   LEU   67  13.13 +/- 1.29   4.637% * 52.9912% (0.98   0.02   0.02) =  17.034%  kept
          QG1   VAL   83 - QD1   LEU   67  15.37 +/- 1.07   2.137% * 34.9728% (0.65   0.02   0.02) =   5.180%  kept
    Distance limit 3.06 A violated in 19 structures by 4.16 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.925, support = 3.81, residual support = 35.5:
        T HZ    PHE   72 - QD1   LEU   67   2.83 +/- 0.60  80.446% * 75.7718% (0.97 10.00   3.99  35.48) =  92.802%  kept
        T QD    PHE   72 - QD1   LEU   67   4.42 +/- 1.02  19.530% * 24.2087% (0.41 10.00   1.50  35.48) =   7.198%  kept
          QE    PHE   45 - QD1   LEU   67  11.55 +/- 1.37   0.024% *  0.0196% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.12, residual support = 35.5:
          QE    PHE   72 - QD1   LEU   67   2.96 +/- 0.53  98.919% * 99.2745% (0.80   4.12  35.48) =  99.998%  kept
          QD    PHE   95 - QD1   LEU   67   7.45 +/- 2.01   1.075% *  0.1857% (0.31   0.02   0.02) =   0.002%
          HN    ALA   47 - QD1   LEU   67  15.84 +/- 1.37   0.006% *  0.5397% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2820 (4.10, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.477, support = 0.02, residual support = 0.02:
        T HA    LEU  115 - HG    LEU   67  14.12 +/- 2.49   6.544% * 15.7849% (0.20 10.00   0.02   0.02) =  39.497%  kept
          HA    ALA  124 - HG    LEU   67  12.05 +/- 1.58  12.217% *  6.6623% (0.84  1.00   0.02   0.02) =  31.120%  kept
        T HA    ARG+  54 - HG    LEU   67  20.39 +/- 1.27   0.643% * 57.9196% (0.73 10.00   0.02   0.02) =  14.236%  kept
          HA    ALA  124 - QG    LYS+  66   9.50 +/- 2.17  50.384% *  0.5129% (0.06  1.00   0.02   0.02) =   9.880%  kept
          HA    GLU-  36 - HG    LEU   67  19.65 +/- 1.58   0.817% *  7.5452% (0.95  1.00   0.02   0.02) =   2.358%  kept
          HA    LEU  115 - QG    LYS+  66  11.01 +/- 1.81  24.140% *  0.1215% (0.02  1.00   0.02   0.02) =   1.122%  kept
          HA    ARG+  54 - QG    LYS+  66  15.63 +/- 1.28   3.533% *  0.4459% (0.06  1.00   0.02   0.02) =   0.602%  kept
          HA    ASN   28 - HG    LEU   67  19.41 +/- 1.17   0.830% *  1.7758% (0.22  1.00   0.02   0.02) =   0.564%  kept
          HA    LYS+  81 - HG    LEU   67  25.14 +/- 1.10   0.169% *  7.9057% (0.99  1.00   0.02   0.02) =   0.511%  kept
          HA    GLU-  36 - QG    LYS+  66  23.31 +/- 1.02   0.227% *  0.5808% (0.07  1.00   0.02   0.02) =   0.050%
          HA    LYS+  81 - QG    LYS+  66  24.65 +/- 0.74   0.183% *  0.6086% (0.08  1.00   0.02   0.02) =   0.043%
          HA    ASN   28 - QG    LYS+  66  22.17 +/- 0.92   0.312% *  0.1367% (0.02  1.00   0.02   0.02) =   0.016%
    Distance limit 3.84 A violated in 20 structures by 4.29 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 3.55, residual support = 57.4:
      O   HA    LEU   67 - HG    LEU   67   3.24 +/- 0.53  91.493% * 99.3233% (0.15  10.0   3.55  57.38) =  99.999%  kept
          HA    LEU   67 - QG    LYS+  66   5.52 +/- 0.93   8.501% *  0.0076% (0.01   1.0   0.02  10.43) =   0.001%
          HA    ASP-  76 - HG    LEU   67  20.20 +/- 1.12   0.003% *  0.6212% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - QG    LYS+  66  19.49 +/- 0.98   0.003% *  0.0478% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2822 (7.31, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.344, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HG    LEU   67   9.64 +/- 2.10  24.827% * 11.5851% (0.38   0.02   0.02) =  62.065%  kept
          QD    PHE   60 - HG    LEU   67   9.89 +/- 0.97  17.900% *  5.4059% (0.18   0.02   0.02) =  20.881%  kept
          HE3   TRP   27 - HG    LEU   67  15.71 +/- 1.36   1.114% * 26.7757% (0.87   0.02   0.02) =   6.437%  kept
          QE    PHE   95 - QG    LYS+  66   9.26 +/- 1.20  22.500% *  0.8918% (0.03   0.02   0.02) =   4.330%  kept
          QD    PHE   60 - QG    LYS+  66   8.89 +/- 0.86  30.412% *  0.4162% (0.01   0.02   0.02) =   2.731%  kept
          QD    PHE   55 - HG    LEU   67  18.61 +/- 1.45   0.335% * 24.7171% (0.80   0.02   0.02) =   1.789%  kept
          QD    PHE   55 - QG    LYS+  66  13.81 +/- 1.08   2.017% *  1.9027% (0.06   0.02   0.02) =   0.828%  kept
          HN    THR   23 - HG    LEU   67  20.41 +/- 1.34   0.251% * 10.5293% (0.34   0.02   0.02) =   0.571%  kept
          HE3   TRP   27 - QG    LYS+  66  18.39 +/- 0.95   0.383% *  2.0612% (0.07   0.02   0.02) =   0.170%
          HN    LYS+  81 - HG    LEU   67  25.72 +/- 1.07   0.053% * 13.8391% (0.45   0.02   0.02) =   0.158%
          HN    THR   23 - QG    LYS+  66  21.40 +/- 0.94   0.156% *  0.8106% (0.03   0.02   0.02) =   0.027%
          HN    LYS+  81 - QG    LYS+  66  25.46 +/- 0.76   0.053% *  1.0653% (0.03   0.02   0.02) =   0.012%
    Distance limit 3.64 A violated in 20 structures by 3.48 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.292, support = 2.95, residual support = 57.4:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  99.906% * 95.9469% (0.29  10.0 10.00   2.95  57.38) = 100.000%  kept
          HG2   PRO   68 - HB3   LEU   67   6.50 +/- 0.41   0.043% *  0.2870% (0.87   1.0  1.00   0.02  17.86) =   0.000%
        T HB    ILE   19 - HB3   LEU   67  11.40 +/- 1.19   0.002% *  2.6965% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LEU   67   7.79 +/- 1.46   0.047% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LEU   67  11.11 +/- 1.39   0.002% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   67  15.98 +/- 2.20   0.000% *  0.2489% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HB3   LEU   67  16.10 +/- 1.84   0.000% *  0.2135% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  16.58 +/- 0.95   0.000% *  0.2257% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  19.98 +/- 2.10   0.000% *  0.0692% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  23.96 +/- 1.13   0.000% *  0.1394% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  19.59 +/- 1.13 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.55 A violated in 20 structures by 16.04 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.12, residual support = 57.4:
      O   HN    LEU   67 - HB3   LEU   67   3.35 +/- 0.47  99.475% * 99.4441% (0.54  10.0   4.12  57.38) = 100.000%  kept
          QE    PHE   95 - HB3   LEU   67   9.23 +/- 2.03   0.514% *  0.0348% (0.19   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   LEU   67  19.39 +/- 1.26   0.003% *  0.1722% (0.93   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   LEU   67  19.74 +/- 1.84   0.004% *  0.1524% (0.82   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   LEU   67  24.11 +/- 1.63   0.001% *  0.1575% (0.85   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   LEU   67  19.75 +/- 1.08   0.003% *  0.0391% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2826 (5.01, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 5.04, residual support = 57.4:
      O   HA    LEU   67 - HB2   LEU   67   2.84 +/- 0.21  99.999% * 99.8354% (0.38  10.0   5.04  57.38) = 100.000%  kept
          HA    ASP-  76 - HB2   LEU   67  18.89 +/- 0.74   0.001% *  0.1646% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2827 (7.00, 1.98, 42.52 ppm):
    3 chemical-shift based assignments, quality = 0.581, support = 3.07, residual support = 35.5:
          QE    PHE   72 - HB2   LEU   67   2.52 +/- 0.58  99.869% * 99.0300% (0.58   3.07  35.48) = 100.000%  kept
          QD    PHE   95 - HB2   LEU   67   9.10 +/- 1.61   0.130% *  0.2484% (0.22   0.02   0.02) =   0.000%
          HN    ALA   47 - HB2   LEU   67  18.58 +/- 0.89   0.001% *  0.7216% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 4.83, residual support = 57.4:
      O   HN    LEU   67 - HB2   LEU   67   2.66 +/- 0.38  99.714% * 99.6033% (0.70  10.0   4.83  57.38) = 100.000%  kept
          QE    PHE   95 - HB2   LEU   67   8.49 +/- 1.93   0.278% *  0.0626% (0.44   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU   67  19.13 +/- 1.08   0.001% *  0.0862% (0.61   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU   67  15.06 +/- 1.17   0.004% *  0.0181% (0.13   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU   67  19.33 +/- 0.81   0.001% *  0.0668% (0.47   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU   67  23.22 +/- 1.89   0.000% *  0.0976% (0.69   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   LEU   67  20.26 +/- 1.47   0.001% *  0.0424% (0.30   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  17.64 +/- 0.84   0.001% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.96, residual support = 35.5:
        T HZ    PHE   72 - HB2   LEU   67   3.08 +/- 0.62  99.994% * 99.9822% (0.63 10.00   2.96  35.48) = 100.000%  kept
          HZ2   TRP   27 - HB2   LEU   67  17.02 +/- 1.65   0.006% *  0.0178% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.559, support = 4.0, residual support = 64.6:
      O T HA    VAL   24 - HB    VAL   24   2.62 +/- 0.31  90.601% * 82.3820% (0.57  10.0 10.00   3.97  65.15) =  97.979%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.93 +/- 0.11   9.396% * 16.3856% (0.11  10.0  1.00   5.47  35.51) =   2.021%  kept
          HA    LYS+  38 - HB2   PRO   68  15.97 +/- 0.85   0.002% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  23.34 +/- 0.95   0.000% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  20.30 +/- 0.54   0.000% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  24.65 +/- 1.32   0.000% *  0.0133% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2833 (1.11, 2.11, 31.99 ppm):
    12 chemical-shift based assignments, quality = 0.628, support = 3.23, residual support = 65.2:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.01  99.983% * 98.0584% (0.63  10.0 10.00   3.23  65.15) = 100.000%  kept
          HG13  ILE  119 - HB2   PRO   68  14.14 +/- 2.99   0.003% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL   24  11.88 +/- 0.46   0.003% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  10.25 +/- 0.22   0.008% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  21.61 +/- 1.28   0.000% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  14.97 +/- 1.79   0.001% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  17.87 +/- 1.27   0.000% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  16.00 +/- 1.66   0.001% *  0.0258% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.43 +/- 0.89   0.000% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  23.62 +/- 2.59   0.000% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  23.80 +/- 1.94   0.000% *  0.0687% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  28.84 +/- 2.30   0.000% *  0.1041% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2834 (8.80, 2.11, 31.99 ppm):
    8 chemical-shift based assignments, quality = 0.34, support = 5.82, residual support = 32.1:
      O   HN    ASN   69 - HB2   PRO   68   3.47 +/- 0.57  54.273% * 68.0701% (0.34  10.0   5.85  31.86) =  82.179%  kept
          HN    GLU-  25 - HB    VAL   24   3.62 +/- 0.56  42.832% * 17.8014% (0.31   1.0   5.89  34.41) =  16.961%  kept
          HN    ASN   28 - HB    VAL   24   5.77 +/- 0.21   2.825% * 13.6928% (0.66   1.0   2.10  11.91) =   0.860%  kept
          HN    ASP-  44 - HB    VAL   24  11.28 +/- 1.11   0.062% *  0.0657% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  16.14 +/- 0.69   0.006% *  0.0806% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.49 +/- 0.97   0.001% *  0.1598% (0.81   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  23.81 +/- 0.85   0.001% *  0.0555% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  25.78 +/- 1.14   0.000% *  0.0742% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.68, residual support = 65.2:
      O   HN    VAL   24 - HB    VAL   24   2.41 +/- 0.32 100.000% * 99.8774% (0.33  10.0   4.68  65.15) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  25.30 +/- 1.09   0.000% *  0.1226% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2836 (3.34, 1.98, 27.31 ppm):
    6 chemical-shift based assignments, quality = 0.574, support = 3.02, residual support = 35.5:
      O   HD3   PRO   68 - HG2   PRO   68   2.54 +/- 0.29  99.995% * 99.5120% (0.57  10.0   3.02  35.51) = 100.000%  kept
          HB2   PHE   59 - HG2   PRO   68  15.20 +/- 1.82   0.004% *  0.0580% (0.33   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   PRO   68  20.52 +/- 1.76   0.001% *  0.0910% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   PRO   68  22.44 +/- 1.63   0.000% *  0.1168% (0.67   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   PRO   68  23.59 +/- 1.63   0.000% *  0.1033% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   68  25.31 +/- 2.62   0.000% *  0.1189% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2837 (3.75, 1.98, 27.31 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.91, residual support = 35.5:
      O   HD2   PRO   68 - HG2   PRO   68   2.64 +/- 0.28  99.976% * 99.8205% (0.63  10.0   2.91  35.51) = 100.000%  kept
          HA    ALA   61 - HG2   PRO   68  11.73 +/- 1.29   0.021% *  0.0826% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   68  16.88 +/- 1.70   0.002% *  0.0167% (0.11   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  17.56 +/- 1.64   0.002% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   PRO   68  23.78 +/- 1.00   0.000% *  0.0656% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.742, support = 4.73, residual support = 55.6:
      O   HD3   PRO   68 - HG3   PRO   68   2.66 +/- 0.30  60.844% * 74.8686% (0.84  10.0  1.00   4.74  35.51) =  83.671%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.90 +/- 0.11  37.249% * 23.8652% (0.27  10.0 10.00   4.64 158.67) =  16.328%  kept
          QB    PHE   55 - HG2   ARG+  54   6.11 +/- 0.85   1.150% *  0.0183% (0.20   1.0  1.00   0.02   3.18) =   0.000%
          HB3   CYS   53 - HG2   ARG+  54   5.94 +/- 0.74   0.699% *  0.0234% (0.26   1.0  1.00   0.02  32.22) =   0.000%
          HD3   PRO   93 - HG2   ARG+  54   9.39 +/- 0.83   0.042% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  11.74 +/- 1.39   0.012% *  0.0116% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  15.66 +/- 2.04   0.002% *  0.0436% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  25.92 +/- 2.63   0.000% *  0.8943% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  20.99 +/- 1.89   0.000% *  0.0685% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  22.94 +/- 1.75   0.000% *  0.0879% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  23.98 +/- 1.75   0.000% *  0.0778% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  23.19 +/- 1.96   0.000% *  0.0200% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.63, residual support = 35.5:
      O   HD2   PRO   68 - HG3   PRO   68   2.53 +/- 0.29  99.815% * 99.5569% (0.92  10.0  1.00   4.63  35.51) = 100.000%  kept
          HA    ALA   61 - HG3   PRO   68  12.29 +/- 0.80   0.009% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   ARG+  54   8.27 +/- 1.05   0.165% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG3   PRO   68  16.35 +/- 1.28   0.002% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HG2   ARG+  54  13.51 +/- 1.54   0.007% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  18.15 +/- 1.71   0.001% *  0.0146% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  23.82 +/- 1.03   0.000% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  23.70 +/- 1.86   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  23.15 +/- 1.69   0.000% *  0.0175% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  33.05 +/- 1.62   0.000% *  0.0444% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2840 (3.33, 3.75, 50.60 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.11, residual support = 35.5:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  99.010% * 98.5022% (0.98  10.0 10.00   5.11  35.51) = 100.000%  kept
          HB2   PHE   59 - HD3   PRO   58   4.16 +/- 0.64   0.836% *  0.0070% (0.07   1.0  1.00   0.02  40.31) =   0.000%
          QB    PHE   55 - HD3   PRO   58   5.63 +/- 0.72   0.126% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD3   PRO   58   9.82 +/- 1.14   0.004% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   8.57 +/- 1.33   0.012% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   8.22 +/- 0.54   0.010% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  14.17 +/- 1.50   0.000% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD2   PRO   68  22.35 +/- 1.30   0.000% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  16.18 +/- 1.44   0.000% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  19.67 +/- 1.38   0.000% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  21.37 +/- 1.51   0.000% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  24.59 +/- 2.45   0.000% *  0.0768% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2841 (3.75, 3.33, 50.60 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 5.11, residual support = 35.5:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  99.992% * 99.4504% (0.92  10.0 10.00   5.11  35.51) = 100.000%  kept
          HA    ALA   61 - HD3   PRO   68  10.43 +/- 0.91   0.003% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93   9.82 +/- 1.14   0.004% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   68  16.18 +/- 1.44   0.000% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  14.47 +/- 0.69   0.000% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  22.35 +/- 1.30   0.000% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  16.76 +/- 0.93   0.000% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  22.88 +/- 0.91   0.000% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  18.88 +/- 1.00   0.000% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  28.45 +/- 0.43   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2844 (5.01, 3.33, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.93, residual support = 17.9:
      O   HA    LEU   67 - HD3   PRO   68   2.29 +/- 0.27  99.991% * 99.7870% (0.53  10.0   4.93  17.86) = 100.000%  kept
          HA    ASP-  76 - HD3   PRO   93  11.78 +/- 1.30   0.008% *  0.0302% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   68  22.20 +/- 1.13   0.000% *  0.1645% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   93  21.00 +/- 1.03   0.000% *  0.0183% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 17.9:
      O   HA    LEU   67 - HD2   PRO   68   2.32 +/- 0.09  99.997% * 99.8155% (0.53  10.0   4.53  17.86) = 100.000%  kept
          HA    ASP-  76 - HD2   PRO   68  22.15 +/- 1.28   0.000% *  0.1646% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   58  15.72 +/- 1.04   0.001% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  15.61 +/- 0.99   0.001% *  0.0075% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 61.2:
      O   HD21  ASN   69 - HB2   ASN   69   2.94 +/- 0.51  99.912% * 99.5864% (0.65  10.0   3.63  61.21) = 100.000%  kept
          HN    GLN   17 - HB2   ASN   69  10.64 +/- 0.96   0.083% *  0.1286% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   ASN   69  16.84 +/- 0.74   0.004% *  0.0475% (0.31   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   ASN   69  21.83 +/- 1.25   0.001% *  0.0934% (0.61   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  24.93 +/- 1.06   0.000% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  27.21 +/- 0.85   0.000% *  0.0384% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 5.39, residual support = 61.2:
      O   HN    ASN   69 - HB2   ASN   69   3.30 +/- 0.57  99.966% * 99.9414% (0.97  10.0   5.39  61.21) = 100.000%  kept
          HN    GLY  101 - HB2   ASN   69  13.79 +/- 1.37   0.031% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   69  20.51 +/- 0.82   0.003% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.59, residual support = 61.2:
      O   HD21  ASN   69 - HB3   ASN   69   3.10 +/- 0.55  99.886% * 99.7810% (0.99  10.0   3.59  61.21) = 100.000%  kept
          HN    GLN   17 - HB3   ASN   69  10.38 +/- 0.86   0.112% *  0.0987% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   ASN   69  25.12 +/- 1.35   0.001% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  22.09 +/- 1.38   0.001% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 4.88, residual support = 61.2:
      O   HN    ASN   69 - HB3   ASN   69   3.01 +/- 0.52  99.970% * 99.9414% (0.97  10.0   4.88  61.21) = 100.000%  kept
          HN    GLY  101 - HB3   ASN   69  14.23 +/- 1.75   0.028% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASN   69  20.77 +/- 1.03   0.002% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.39, residual support = 61.2:
          HD21  ASN   69 - HA    ASN   69   3.49 +/- 0.56  99.156% * 90.6557% (0.20   3.39  61.21) =  99.991%  kept
          HN    GLN   17 - HA    ASN   69   8.49 +/- 1.09   0.820% *  0.9220% (0.34   0.02   0.02) =   0.008%
          HN    ALA   61 - HA    ASN   69  15.67 +/- 0.37   0.016% *  2.1643% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ASN   69  21.95 +/- 0.86   0.002% *  2.6790% (0.99   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ASN   69  19.40 +/- 0.98   0.005% *  1.0144% (0.38   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ASN   69  26.76 +/- 0.69   0.001% *  1.9627% (0.73   0.02   0.02) =   0.000%
          HN    TRP   87 - HA    ASN   69  24.70 +/- 0.67   0.001% *  0.6018% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.08 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  15.11 +/- 1.51 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.48 A violated in 20 structures by 11.63 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.324, support = 0.0198, residual support = 0.0198:
          QG2   THR   77 - HA    SER   48   6.18 +/- 0.82  61.762% *  1.9923% (0.23  1.00   0.02   0.02) =  40.655%  kept
        T QB    ALA   88 - HB2   SER   82  10.80 +/- 0.28   2.191% * 37.0886% (0.42 10.00   0.02   0.02) =  26.848%  kept
          HG2   LYS+  99 - HA    VAL   70   8.54 +/- 1.24  11.854% *  3.6274% (0.41  1.00   0.02   0.02) =  14.207%  kept
          QG2   THR   77 - HB2   SER   82   9.22 +/- 0.52   6.009% *  4.2379% (0.48  1.00   0.02   0.02) =   8.414%  kept
          QG2   THR   23 - HB2   SER   82   8.29 +/- 1.05  13.971% *  0.9519% (0.11  1.00   0.02   0.02) =   4.394%  kept
          HG2   LYS+  38 - HA    VAL   70  12.06 +/- 1.48   1.533% *  4.6421% (0.53  1.00   0.02   0.02) =   2.351%  kept
        T QB    ALA   88 - HA    SER   48  14.81 +/- 1.50   0.342% * 17.4364% (0.20 10.00   0.02   0.02) =   1.973%  kept
          QG2   THR   77 - HA    VAL   70  17.21 +/- 0.50   0.142% *  8.7452% (0.99  1.00   0.02   0.02) =   0.411%
          HB2   LEU   31 - HA    VAL   70  13.86 +/- 1.16   0.547% *  1.3614% (0.15  1.00   0.02   0.02) =   0.246%
          QB    ALA   88 - HA    VAL   70  19.72 +/- 0.84   0.066% *  7.6536% (0.87  1.00   0.02   0.02) =   0.166%
          QG2   THR   23 - HA    SER   48  13.00 +/- 1.63   1.070% *  0.4475% (0.05  1.00   0.02   0.02) =   0.158%
          QG2   THR   23 - HA    VAL   70  17.49 +/- 0.34   0.123% *  1.9644% (0.22  1.00   0.02   0.02) =   0.080%
          HB2   LEU   31 - HB2   SER   82  16.15 +/- 1.56   0.240% *  0.6597% (0.07  1.00   0.02   0.02) =   0.052%
          HG2   LYS+ 111 - HA    VAL   70  23.16 +/- 2.15   0.026% *  1.7461% (0.20  1.00   0.02   0.02) =   0.015%
          HG2   LYS+ 111 - HA    SER   48  19.98 +/- 1.08   0.060% *  0.3978% (0.05  1.00   0.02   0.02) =   0.008%
          HG2   LYS+  38 - HB2   SER   82  27.49 +/- 1.41   0.009% *  2.2495% (0.25  1.00   0.02   0.02) =   0.007%
          HG2   LYS+  99 - HB2   SER   82  26.49 +/- 1.33   0.011% *  1.7578% (0.20  1.00   0.02   0.02) =   0.006%
          HG2   LYS+ 111 - HB2   SER   82  25.53 +/- 1.31   0.014% *  0.8462% (0.10  1.00   0.02   0.02) =   0.004%
          HB2   LEU   31 - HA    SER   48  23.68 +/- 0.95   0.019% *  0.3102% (0.04  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HA    SER   48  28.92 +/- 0.91   0.006% *  0.8264% (0.09  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HA    SER   48  32.29 +/- 0.64   0.003% *  1.0576% (0.12  1.00   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 19 structures by 2.25 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.14, residual support = 32.6:
      O   HN    LEU   71 - HA    VAL   70   2.25 +/- 0.02  99.992% * 99.7573% (0.87  10.0   5.14  32.57) = 100.000%  kept
          HN    THR   26 - HB2   SER   82  11.66 +/- 1.03   0.006% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  18.33 +/- 0.51   0.000% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  21.33 +/- 1.16   0.000% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  18.88 +/- 1.18   0.000% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  23.44 +/- 1.20   0.000% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  17.85 +/- 1.14   0.000% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  22.57 +/- 0.60   0.000% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  21.41 +/- 1.31   0.000% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  27.81 +/- 1.09   0.000% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  21.42 +/- 1.07   0.000% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  28.72 +/- 0.87   0.000% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 0.937, support = 3.35, residual support = 41.3:
        T HZ    PHE   72 - HB    VAL   70   4.27 +/- 0.62  35.827% * 94.1877% (1.00 10.00   3.30  41.35) =  91.173%  kept
          QD    PHE   72 - HB    VAL   70   3.90 +/- 0.84  58.191% *  5.6123% (0.31  1.00   3.85  41.35) =   8.824%  kept
        T HZ    PHE   72 - QG    GLN   17   9.34 +/- 1.23   0.553% *  0.1750% (0.19 10.00   0.02   0.02) =   0.003%
          QD    PHE   72 - QG    GLN   17   6.40 +/- 0.91   5.361% *  0.0054% (0.06  1.00   0.02   0.02) =   0.001%
          QE    PHE   45 - HB    VAL   70  13.33 +/- 0.89   0.040% *  0.0165% (0.18  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - QG    GLN   17  14.49 +/- 0.81   0.028% *  0.0031% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.93, residual support = 41.4:
          QE    PHE   72 - HB    VAL   70   2.55 +/- 0.67  99.194% * 98.8209% (0.73   3.93  41.35) =  99.999%  kept
          QE    PHE   72 - QG    GLN   17   7.59 +/- 1.14   0.697% *  0.0935% (0.13   0.02   0.02) =   0.001%
          QD    PHE   95 - HB    VAL   70   9.66 +/- 1.89   0.088% *  0.2601% (0.38   0.02   0.02) =   0.000%
          QD    PHE   95 - QG    GLN   17  12.29 +/- 0.84   0.018% *  0.0483% (0.07   0.02   0.02) =   0.000%
          HN    ALA   47 - HB    VAL   70  19.74 +/- 1.40   0.001% *  0.6555% (0.95   0.02   0.02) =   0.000%
          HN    ALA   47 - QG    GLN   17  16.34 +/- 1.01   0.003% *  0.1218% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.63, residual support = 82.8:
      O   HN    VAL   70 - HB    VAL   70   2.71 +/- 0.50  99.887% * 99.9336% (0.76  10.0   4.63  82.83) = 100.000%  kept
          HN    VAL   70 - QG    GLN   17   9.23 +/- 1.11   0.111% *  0.0186% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB    VAL   70  22.50 +/- 0.83   0.000% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  18.09 +/- 0.95   0.002% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 5.14, residual support = 82.8:
          HN    VAL   70 - QG1   VAL   70   2.58 +/- 0.52  99.988% * 98.3810% (0.28   5.14  82.83) = 100.000%  kept
          HN    THR   94 - QG1   VAL   70  13.57 +/- 1.85   0.011% *  0.5167% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG1   VAL   70  19.15 +/- 1.27   0.001% *  1.1023% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2859 (8.93, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.347, support = 1.39, residual support = 1.26:
          HN    VAL   42 - QG2   VAL   70   4.16 +/- 0.24  89.363% * 60.0504% (0.35   1.42   1.33) =  94.142%  kept
          HN    LEU   73 - QG2   VAL   70   6.27 +/- 0.66   8.564% * 38.6853% (0.35   0.91   0.02) =   5.812%  kept
          HN    ILE   19 - QG2   VAL   70   8.00 +/- 0.68   2.073% *  1.2643% (0.52   0.02   0.02) =   0.046%
    Distance limit 3.71 A violated in 1 structures by 0.39 A, kept.
 
    Peak 2860 (1.46, 0.19, 22.28 ppm):
    11 chemical-shift based assignments, quality = 0.426, support = 5.68, residual support = 36.8:
        T HG    LEU   40 - QG2   VAL   70   3.02 +/- 0.82  32.603% * 68.2155% (0.54 10.00   6.62  37.04) =  64.907%  kept
        T HB3   LEU   40 - QG2   VAL   70   2.78 +/- 0.75  42.112% * 28.1066% (0.22 10.00   3.99  37.04) =  34.543%  kept
          HG    LEU   67 - QG2   VAL   70   4.60 +/- 1.31   9.454% *  1.9531% (0.53  1.00   0.58   0.02) =   0.539%  kept
          HB3   LEU   67 - QG2   VAL   70   4.30 +/- 1.76  15.458% *  0.0190% (0.15  1.00   0.02   0.02) =   0.009%
        T HG    LEU   73 - QG2   VAL   70   7.01 +/- 0.99   0.244% *  0.4423% (0.35 10.00   0.02   0.02) =   0.003%
        T HB3   LEU  115 - QG2   VAL   70  13.03 +/- 1.46   0.005% *  0.6822% (0.54 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   70   8.48 +/- 1.08   0.069% *  0.0307% (0.24  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QG2   VAL   70  13.85 +/- 1.44   0.003% *  0.4423% (0.35 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QG2   VAL   70  10.84 +/- 1.14   0.014% *  0.0442% (0.35  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   70  11.85 +/- 0.97   0.008% *  0.0522% (0.41  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   70   9.67 +/- 1.01   0.031% *  0.0120% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2861 (6.70, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.415, support = 3.12, residual support = 41.4:
        T QD    PHE   72 - QG2   VAL   70   3.18 +/- 0.88  78.825% * 55.2900% (0.43 10.00   2.83  41.35) =  82.282%  kept
        T HZ    PHE   72 - QG2   VAL   70   4.09 +/- 0.65  21.010% * 44.6681% (0.35 10.00   4.44  41.35) =  17.718%  kept
          QE    PHE   45 - QG2   VAL   70   9.79 +/- 0.73   0.165% *  0.0419% (0.33  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2862 (6.99, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.536, support = 5.12, residual support = 41.4:
          QE    PHE   72 - QG2   VAL   70   2.64 +/- 0.84  99.970% * 99.6622% (0.54   5.12  41.35) = 100.000%  kept
          HD22  ASN   28 - QG2   VAL   70  13.00 +/- 0.50   0.024% *  0.1329% (0.18   0.02   0.02) =   0.000%
          HN    ALA   47 - QG2   VAL   70  15.91 +/- 1.02   0.006% *  0.2050% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2863 (8.16, 0.19, 22.28 ppm):
    5 chemical-shift based assignments, quality = 0.507, support = 6.43, residual support = 32.6:
          HN    LEU   71 - QG2   VAL   70   2.62 +/- 0.46  99.959% * 99.3838% (0.51   6.43  32.57) = 100.000%  kept
          HN    THR  118 - QG2   VAL   70  11.88 +/- 1.44   0.014% *  0.0909% (0.15   0.02   0.02) =   0.000%
          HN    PHE   60 - QG2   VAL   70  11.16 +/- 1.19   0.020% *  0.0442% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   VAL   70  14.17 +/- 1.22   0.005% *  0.1719% (0.28   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   VAL   70  16.03 +/- 1.46   0.002% *  0.3091% (0.51   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.671, support = 2.74, residual support = 41.4:
        T HZ    PHE   72 - QG1   VAL   70   3.79 +/- 0.85  47.915% * 85.3601% (0.65 10.00   2.74  41.35) =  84.382%  kept
          QD    PHE   72 - QG1   VAL   70   3.77 +/- 1.29  51.991% * 14.5599% (0.80  1.00   2.76  41.35) =  15.618%  kept
          QE    PHE   45 - QG1   VAL   70  11.31 +/- 1.32   0.094% *  0.0800% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 2.02, residual support = 4.31:
          HA    VAL   41 - HB2   LEU   71   3.55 +/- 0.69  99.624% * 98.4228% (0.92   2.02   4.31) =  99.996%  kept
          HA    HIS  122 - HB2   LEU   71  13.92 +/- 2.51   0.316% *  1.0183% (0.97   0.02   0.02) =   0.003%
          HA    PHE   45 - HB2   LEU   71  13.28 +/- 0.34   0.056% *  0.3960% (0.38   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LEU   71  20.94 +/- 0.90   0.004% *  0.1628% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 3 structures by 0.28 A, kept.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.38, residual support = 139.2:
      O   HN    LEU   71 - HB2   LEU   71   2.72 +/- 0.45  99.969% * 99.8011% (0.95  10.0   6.38 139.15) = 100.000%  kept
          HN    THR  118 - HB2   LEU   71  17.38 +/- 2.07   0.009% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB2   LEU   71  15.15 +/- 1.69   0.017% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   LEU   71  19.95 +/- 2.56   0.004% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   LEU   71  21.88 +/- 2.22   0.002% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.3, residual support = 139.2:
      O   HN    LEU   71 - HB3   LEU   71   3.09 +/- 0.66  99.920% * 99.8011% (0.95  10.0   6.30 139.15) = 100.000%  kept
          HN    PHE   60 - HB3   LEU   71  15.21 +/- 2.28   0.050% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   71  20.35 +/- 3.02   0.010% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   71  17.89 +/- 2.51   0.016% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   71  22.38 +/- 2.74   0.003% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2870 (1.81, 1.24, 27.63 ppm):
    20 chemical-shift based assignments, quality = 0.965, support = 4.94, residual support = 139.2:
      O   HB2   LEU   71 - HG    LEU   71   2.48 +/- 0.10  98.623% * 99.3720% (0.97  10.0   4.94 139.15) = 100.000%  kept
          HB    VAL   41 - HG    LEU   71   7.75 +/- 0.93   0.163% *  0.0501% (0.49   1.0   0.02   4.31) =   0.000%
          HB3   GLN   17 - HG13  ILE   19   6.21 +/- 1.14   0.748% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE   19   7.36 +/- 1.43   0.363% *  0.0142% (0.14   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG    LEU   71  12.43 +/- 2.24   0.025% *  0.0707% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   71  13.01 +/- 1.62   0.009% *  0.1009% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG    LEU   71  11.36 +/- 1.31   0.014% *  0.0501% (0.49   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG    LEU   71  14.29 +/- 1.68   0.004% *  0.1030% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  11.57 +/- 1.21   0.013% *  0.0145% (0.14   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19  11.63 +/- 2.10   0.024% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   71  13.86 +/- 0.98   0.004% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  13.17 +/- 1.11   0.005% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  19.36 +/- 3.81   0.002% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  21.07 +/- 1.70   0.000% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  18.90 +/- 1.65   0.001% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  20.33 +/- 0.63   0.000% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  17.73 +/- 1.45   0.001% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  25.75 +/- 1.64   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  21.34 +/- 1.76   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  23.99 +/- 0.99   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2873 (8.14, 0.96, 23.45 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.79, residual support = 139.2:
          HN    LEU   71 - QD2   LEU   71   3.53 +/- 0.61  99.844% * 99.7049% (0.87   6.79 139.15) = 100.000%  kept
          HN    THR   26 - QD2   LEU   71  12.46 +/- 1.60   0.111% *  0.0844% (0.25   0.02   0.02) =   0.000%
          HN    GLN  116 - QD2   LEU   71  17.89 +/- 3.04   0.036% *  0.0458% (0.14   0.02   0.02) =   0.000%
          HN    GLU- 114 - QD2   LEU   71  19.82 +/- 2.75   0.009% *  0.1648% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.28, residual support = 19.7:
          HN    PHE   72 - QD2   LEU   71   3.39 +/- 0.40  99.916% * 99.5661% (0.73   5.28  19.66) = 100.000%  kept
          HN    LEU  104 - QD2   LEU   71  12.51 +/- 1.28   0.084% *  0.4339% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.612, support = 5.16, residual support = 40.0:
      O   HN    LEU   73 - HA    PHE   72   2.22 +/- 0.03  96.994% * 99.7786% (0.61  10.0   5.16  39.98) =  99.998%  kept
          HN    VAL   42 - HA    PHE   72   4.45 +/- 0.39   1.816% *  0.0998% (0.61   1.0   0.02   5.35) =   0.002%
          HN    ILE   19 - HA    PHE   72   4.75 +/- 0.39   1.188% *  0.0218% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    PHE   72  13.67 +/- 0.66   0.002% *  0.0998% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2876 (9.35, 5.27, 56.60 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 5.14, residual support = 90.4:
      O   HN    PHE   72 - HA    PHE   72   2.92 +/- 0.02  99.982% * 99.9786% (0.71  10.0   5.14  90.37) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  12.40 +/- 0.71   0.018% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2877 (1.43, 5.27, 56.60 ppm):
    12 chemical-shift based assignments, quality = 0.379, support = 2.46, residual support = 39.7:
          HG    LEU   73 - HA    PHE   72   4.44 +/- 1.17  68.672% * 69.3022% (0.37   2.51  39.98) =  97.778%  kept
          HB3   LEU   67 - HA    PHE   72   7.48 +/- 1.21   3.414% * 23.1665% (0.66   0.47  35.48) =   1.625%  kept
          HG12  ILE   19 - HA    PHE   72   6.49 +/- 1.55  24.891% *  1.0938% (0.74   0.02   0.02) =   0.559%  kept
          QB    ALA   61 - HA    PHE   72   9.05 +/- 0.64   0.686% *  1.0938% (0.74   0.02   0.02) =   0.015%
          HB3   LYS+  74 - HA    PHE   72   8.05 +/- 0.71   1.561% *  0.4659% (0.31   0.02   0.02) =   0.015%
          QG    LYS+  66 - HA    PHE   72  11.15 +/- 0.66   0.185% *  0.7785% (0.52   0.02   0.14) =   0.003%
          QB    LEU   98 - HA    PHE   72   9.62 +/- 0.54   0.413% *  0.2243% (0.15   0.02   0.02) =   0.002%
          HG    LEU   80 - HA    PHE   72  13.72 +/- 0.73   0.048% *  1.1308% (0.76   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    PHE   72  14.85 +/- 1.38   0.034% *  1.1233% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    PHE   72  14.28 +/- 0.84   0.039% *  0.6874% (0.46   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HA    PHE   72  14.54 +/- 1.96   0.046% *  0.5081% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    PHE   72  17.41 +/- 1.15   0.012% *  0.4254% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.42 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.819, support = 5.6, residual support = 40.0:
          QD2   LEU   73 - HB2   PHE   72   4.18 +/- 0.16  96.501% * 98.9718% (0.82   5.60  39.98) =  99.996%  kept
          QG1   VAL   43 - HB2   PHE   72   7.96 +/- 0.39   2.158% *  0.0714% (0.17   0.02   0.02) =   0.002%
          QG1   VAL   41 - HB2   PHE   72   9.37 +/- 1.01   1.012% *  0.1231% (0.28   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB2   PHE   72  12.63 +/- 1.29   0.179% *  0.3482% (0.81   0.02   0.02) =   0.001%
          HG    LEU   31 - HB2   PHE   72  12.92 +/- 0.89   0.122% *  0.3236% (0.75   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB2   PHE   72  16.92 +/- 1.70   0.029% *  0.1618% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 1 structures by 0.60 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.57, residual support = 39.2:
        T QB    ALA   64 - HB2   PHE   72   3.14 +/- 0.53  99.985% * 99.9825% (0.84 10.00   2.57  39.24) = 100.000%  kept
          QB    ALA   47 - HB2   PHE   72  14.39 +/- 0.89   0.015% *  0.0175% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 1 structures by 0.08 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.634, support = 4.95, residual support = 31.6:
          QD2   LEU   73 - HB3   PHE   72   4.66 +/- 0.40  15.426% * 93.7300% (0.72   6.18  39.98) =  77.247%  kept
          QG2   VAL   18 - HB3   PHE   72   3.28 +/- 0.74  83.303% *  5.1093% (0.33   0.75   3.33) =  22.738%  kept
          QG1   VAL   43 - HB3   PHE   72   7.88 +/- 0.63   0.643% *  0.2202% (0.53   0.02   0.02) =   0.008%
          QG1   VAL   41 - HB3   PHE   72   9.55 +/- 0.70   0.333% *  0.2907% (0.69   0.02   0.02) =   0.005%
          QG2   THR   46 - HB3   PHE   72   9.65 +/- 1.14   0.204% *  0.1009% (0.24   0.02   0.02) =   0.001%
          HG    LEU   31 - HB3   PHE   72  13.10 +/- 1.07   0.036% *  0.3434% (0.82   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB3   PHE   72  12.14 +/- 0.97   0.055% *  0.2055% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.45 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.72, residual support = 39.2:
        T QB    ALA   64 - HB3   PHE   72   2.92 +/- 0.56  99.978% * 99.9693% (0.63 10.00   2.72  39.24) = 100.000%  kept
          QD1   LEU  115 - HB3   PHE   72  13.14 +/- 1.34   0.022% *  0.0307% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.473, support = 0.75, residual support = 3.33:
        T HA    VAL   18 - HB2   PHE   72   2.77 +/- 0.34  98.728% * 97.7542% (0.47 10.00   0.75   3.33) =  99.997%  kept
          HA    VAL   70 - HB2   PHE   72   7.33 +/- 0.72   0.409% *  0.4513% (0.82  1.00   0.02  41.35) =   0.002%
          HA1   GLY   16 - HB2   PHE   72   6.63 +/- 0.89   0.839% *  0.1280% (0.23  1.00   0.02   0.02) =   0.001%
          HB2   SER   37 - HB2   PHE   72  13.50 +/- 0.92   0.009% *  0.2793% (0.51  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PHE   72  15.03 +/- 0.94   0.005% *  0.3519% (0.64  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   PHE   72  16.44 +/- 1.07   0.004% *  0.4513% (0.82  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PHE   72  15.98 +/- 0.69   0.003% *  0.2793% (0.51  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   PHE   72  17.48 +/- 0.95   0.002% *  0.0806% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PHE   72  21.57 +/- 0.89   0.001% *  0.2241% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 1.67, residual support = 3.32:
          HA    VAL   18 - HB3   PHE   72   2.80 +/- 0.62  97.947% * 64.2613% (0.15  1.00   1.67   3.33) =  99.899%  kept
          HA1   GLY   16 - HB3   PHE   72   6.82 +/- 1.08   1.492% *  3.1959% (0.63  1.00   0.02   0.02) =   0.076%
          HA    VAL   70 - HB3   PHE   72   7.54 +/- 0.71   0.530% *  2.6695% (0.53  1.00   0.02  41.35) =   0.022%
        T HA    LYS+  33 - HB3   PHE   72  15.55 +/- 0.75   0.007% * 13.5842% (0.27 10.00   0.02   0.02) =   0.001%
          HB2   SER   37 - HB3   PHE   72  14.01 +/- 0.76   0.013% *  4.3141% (0.85  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB3   PHE   72  16.34 +/- 0.63   0.005% *  8.7099% (0.17 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HB3   PHE   72  15.89 +/- 0.99   0.007% *  2.6695% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PHE   72  21.45 +/- 1.40   0.001% *  0.5956% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.01 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 4.69, residual support = 90.4:
      O T QD    PHE   72 - HB3   PHE   72   2.45 +/- 0.19  99.386% * 99.0530% (0.87  10.0 10.00   4.69  90.37) = 100.000%  kept
        T QE    PHE   45 - HB3   PHE   72  10.39 +/- 0.80   0.021% *  0.9164% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   0.594% *  0.0306% (0.27   1.0  1.00   0.02  90.37) =   0.000%
    Distance limit 3.35 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 = 4.53, residual support = 90.4:
      O T QD    PHE   72 - HB2   PHE   72   2.47 +/- 0.16  99.388% * 99.8767% (0.83  10.0 10.00   4.53  90.37) = 100.000%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   0.596% *  0.0309% (0.26   1.0  1.00   0.02  90.37) =   0.000%
          QE    PHE   45 - HB2   PHE   72  10.67 +/- 0.78   0.016% *  0.0924% (0.77   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2886 (9.37, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.79, support = 5.04, residual support = 90.4:
      O   HN    PHE   72 - HB2   PHE   72   2.73 +/- 0.57  99.993% * 99.9402% (0.79  10.0   5.04  90.37) = 100.000%  kept
          HN    LEU  104 - HB2   PHE   72  14.75 +/- 0.76   0.007% *  0.0598% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.799, support = 0.0197, residual support = 3.39:
          HB2   GLN   30 - HA    LEU   73   7.17 +/- 0.61  42.930% * 10.7462% (0.80   0.02   4.25) =  45.629%  kept
          HG3   GLN   30 - HA    LEU   73   7.79 +/- 0.49  25.927% * 13.3017% (0.99   0.02   4.25) =  34.110%  kept
          HB2   GLN   17 - HA    LEU   73   8.23 +/- 0.77  21.387% *  6.5324% (0.49   0.02   0.02) =  13.818%  kept
          QB    GLU-  15 - HA    LEU   73   9.93 +/- 0.89   6.465% *  6.5324% (0.49   0.02   0.02) =   4.177%  kept
          HB3   PRO   68 - HA    LEU   73  14.33 +/- 1.51   0.783% * 11.6413% (0.87   0.02   0.02) =   0.902%  kept
          HB3   GLU-  25 - HA    LEU   73  13.54 +/- 0.53   0.935% *  4.1422% (0.31   0.02   0.02) =   0.383%
          HB    ILE  119 - HA    LEU   73  17.59 +/- 1.33   0.217% * 10.7462% (0.80   0.02   0.02) =   0.231%
          HB3   GLU- 100 - HA    LEU   73  17.75 +/- 1.11   0.199% * 11.6413% (0.87   0.02   0.02) =   0.229%
          HB2   PRO   93 - HA    LEU   73  14.10 +/- 0.68   0.741% *  2.9879% (0.22   0.02   0.02) =   0.219%
          HB    VAL  108 - HA    LEU   73  16.93 +/- 0.97   0.264% *  7.5980% (0.57   0.02   0.02) =   0.199%
          HB2   ARG+  54 - HA    LEU   73  20.09 +/- 1.45   0.093% *  6.5324% (0.49   0.02   0.02) =   0.060%
          HB2   LYS+ 111 - HA    LEU   73  21.63 +/- 0.96   0.058% *  7.5980% (0.57   0.02   0.02) =   0.044%
    Distance limit 3.64 A violated in 20 structures by 2.54 A, eliminated.
    Peak unassigned.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.43, residual support = 38.9:
      O   HN    LYS+  74 - HA    LEU   73   2.33 +/- 0.11  99.978% * 99.6525% (0.69  10.0   5.43  38.85) = 100.000%  kept
          HN    THR   46 - HA    LEU   73   9.63 +/- 0.50   0.022% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LEU   73  21.80 +/- 1.75   0.000% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HA    LEU   73  21.99 +/- 0.95   0.000% *  0.1448% (1.00   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  17.97 +/- 0.56   0.001% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 0.766, support = 5.95, residual support = 161.3:
      O   HN    LEU   73 - HA    LEU   73   2.92 +/- 0.02  27.277% * 97.6685% (0.80  10.0   6.18 170.45) =  94.507%  kept
          HN    ILE   19 - HA    LEU   73   2.41 +/- 0.54  72.483% *  2.1361% (0.18   1.0   2.00   4.16) =   5.492%  kept
          HN    VAL   42 - HA    LEU   73   6.94 +/- 0.74   0.239% *  0.0977% (0.80   1.0   0.02   1.11) =   0.001%
          HN    LYS+ 106 - HA    LEU   73  16.65 +/- 0.56   0.001% *  0.0977% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 6.02, residual support = 170.4:
      O   HN    LEU   73 - HB2   LEU   73   3.40 +/- 0.44  95.843% * 99.6355% (0.38  10.0   6.03 170.45) =  99.996%  kept
          HN    VAL   42 - HB2   LEU   73   6.13 +/- 1.08   4.147% *  0.0996% (0.38   1.0   0.02   1.11) =   0.004%
          HN    LYS+ 106 - HB2   LEU   73  15.90 +/- 1.45   0.010% *  0.2649% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.797, support = 1.99, residual support = 7.98:
          HA    VAL   43 - HB2   LEU   73   3.93 +/- 1.40  96.527% * 87.9401% (0.80  1.00   2.00   8.01) =  99.576%  kept
        T HA    HIS   22 - HB2   LEU   73   9.30 +/- 0.98   3.267% * 10.9833% (1.00 10.00   0.02   0.02) =   0.421%
          HA    ASN   69 - HB2   LEU   73  13.79 +/- 0.57   0.206% *  1.0766% (0.98  1.00   0.02   0.02) =   0.003%
    Distance limit 3.84 A violated in 7 structures by 0.67 A, kept.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.29, residual support = 38.9:
          HN    LYS+  74 - HB3   LEU   73   3.44 +/- 0.58  99.956% * 97.4257% (0.25   5.29  38.85) = 100.000%  kept
          HN    ASP-  78 - HB3   LEU   73  13.17 +/- 0.74   0.039% *  0.6077% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB3   LEU   73  22.12 +/- 1.34   0.003% *  1.1297% (0.76   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LEU   73  23.04 +/- 1.86   0.002% *  0.8369% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.76, support = 5.56, residual support = 166.4:
          HN    LEU   73 - HG    LEU   73   3.33 +/- 0.84  49.755% * 77.0902% (0.80   5.65 170.45) =  92.546%  kept
          HN    ILE   19 - HG12  ILE   19   3.46 +/- 0.68  34.229% *  6.0257% (0.06   6.18 172.34) =   4.976%  kept
          HN    VAL   42 - HG    LEU   73   4.77 +/- 1.25   8.060% * 10.1149% (0.80   0.74   1.11) =   1.967%  kept
          HN    VAL   42 - HG    LEU   40   5.30 +/- 1.02   3.521% *  5.9253% (0.15   2.33   1.35) =   0.503%  kept
          HN    ILE   19 - HG    LEU   73   5.13 +/- 0.59   3.075% *  0.0597% (0.18   0.02   4.16) =   0.004%
          HN    LEU   73 - HG12  ILE   19   6.60 +/- 1.32   1.056% *  0.0891% (0.26   0.02   4.16) =   0.002%
          HN    VAL   42 - HG12  ILE   19   8.80 +/- 1.78   0.168% *  0.0891% (0.26   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   40   9.47 +/- 0.89   0.053% *  0.0509% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  11.59 +/- 0.55   0.015% *  0.0509% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  15.56 +/- 1.00   0.002% *  0.2729% (0.80   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  11.59 +/- 0.70   0.017% *  0.0332% (0.10   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  14.19 +/- 0.72   0.005% *  0.0332% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  11.24 +/- 0.97   0.018% *  0.0076% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  12.29 +/- 0.82   0.011% *  0.0111% (0.03   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  12.44 +/- 0.64   0.010% *  0.0073% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  19.97 +/- 1.71   0.001% *  0.0891% (0.26   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  16.24 +/- 1.82   0.003% *  0.0076% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  19.92 +/- 0.94   0.001% *  0.0332% (0.10   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  17.87 +/- 2.00   0.002% *  0.0076% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  18.67 +/- 1.65   0.001% *  0.0017% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.0746, support = 1.62, residual support = 1.63:
          HN    LEU   71 - HG    LEU   40   4.99 +/- 0.73  67.480% * 49.3743% (0.05   1.80   1.84) =  88.763%  kept
          HN    LEU   71 - HG    LEU   73   7.21 +/- 1.43  11.178% * 34.5171% (0.28   0.23   0.02) =  10.279%  kept
          HN    THR   26 - HG    LEU   73   9.87 +/- 1.20   1.759% *  8.8466% (0.84   0.02   0.02) =   0.415%
          HN    LEU   71 - HG12  ILE   19   8.22 +/- 1.64  10.573% *  0.9617% (0.09   0.02   0.02) =   0.271%
          HN    THR   26 - HG    LEU   80   7.28 +/- 0.90   8.571% *  1.0765% (0.10   0.02   0.02) =   0.246%
          HN    THR   26 - HG12  ILE   19  12.15 +/- 0.41   0.329% *  2.8892% (0.27   0.02   0.02) =   0.025%
          HN    THR   26 - HG    LEU   40  18.65 +/- 1.01   0.024% *  1.6493% (0.16   0.02   0.02) =   0.001%
          HN    LEU   71 - HG    LEU   80  17.56 +/- 0.73   0.038% *  0.3583% (0.03   0.02   0.02) =   0.000%
          HN    LEU   71 - HG    LEU  115  18.41 +/- 2.11   0.045% *  0.0816% (0.01   0.02   0.02) =   0.000%
          HN    THR   26 - HG    LEU  115  27.11 +/- 1.65   0.003% *  0.2453% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 12 structures by 1.01 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2895 (8.97, 0.78, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.375, support = 7.64, residual support = 169.5:
          HN    LEU   73 - QD2   LEU   73   2.69 +/- 0.75  83.680% * 95.9743% (0.38   7.68 170.45) =  99.441%  kept
          HN    VAL   42 - QD2   LEU   73   3.95 +/- 0.44  15.153% *  2.9641% (0.38   0.24   1.11) =   0.556%  kept
          HN    LYS+ 106 - HG3   LYS+ 121   7.09 +/- 1.23   1.148% *  0.2266% (0.34   0.02   0.02) =   0.003%
          HN    LYS+ 106 - QD2   LEU   73  13.16 +/- 1.05   0.009% *  0.6645% (1.00   0.02   0.02) =   0.000%
          HN    VAL   42 - HG3   LYS+ 121  14.60 +/- 1.42   0.007% *  0.0852% (0.13   0.02   0.02) =   0.000%
          HN    LEU   73 - HG3   LYS+ 121  16.62 +/- 1.44   0.003% *  0.0852% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.249, support = 5.59, residual support = 38.9:
          HN    LYS+  74 - QD2   LEU   73   3.93 +/- 0.23  99.833% * 96.6455% (0.25   5.59  38.85) =  99.999%  kept
          HN    ASP-  78 - QD2   LEU   73  12.64 +/- 1.08   0.104% *  0.5698% (0.41   0.02   0.02) =   0.001%
          HN    MET   11 - QD2   LEU   73  18.04 +/- 2.12   0.017% *  0.7847% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HG3   LYS+ 121  15.55 +/- 0.96   0.030% *  0.3612% (0.26   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QD2   LEU   73  18.91 +/- 1.31   0.009% *  1.0592% (0.76   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   LYS+ 121  20.67 +/- 1.42   0.005% *  0.1178% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 121  26.57 +/- 1.52   0.001% *  0.1943% (0.14   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 121  34.41 +/- 2.88   0.000% *  0.2676% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.75, residual support = 186.8:
      O   HN    LYS+  74 - HB2   LYS+  74   2.81 +/- 0.30  99.920% * 99.3064% (0.20  10.0   5.75 186.82) = 100.000%  kept
          HN    ASP-  78 - HB2   LYS+  74  10.38 +/- 0.89   0.078% *  0.1637% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   LYS+  74  20.64 +/- 0.95   0.001% *  0.3044% (0.61   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+  74  24.08 +/- 1.81   0.000% *  0.2255% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.41, residual support = 31.8:
          HN    VAL   75 - HB3   LYS+  74   4.04 +/- 0.25  99.518% * 98.5328% (0.41   4.41  31.84) =  99.995%  kept
          HN    ASP-  78 - HB3   LYS+  74   9.90 +/- 0.73   0.473% *  0.9419% (0.87   0.02   0.02) =   0.005%
          HN    LYS+ 112 - HB3   LYS+  74  21.20 +/- 1.06   0.006% *  0.3351% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+  74  24.09 +/- 1.84   0.003% *  0.1902% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 1 structures by 0.44 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.67, residual support = 31.8:
          HN    VAL   75 - HG2   LYS+  74   2.91 +/- 0.60  99.882% * 99.5068% (0.84   5.67  31.84) = 100.000%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.13 +/- 1.05   0.114% *  0.4117% (0.98   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 111  18.43 +/- 0.90   0.003% *  0.0375% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  20.60 +/- 1.18   0.002% *  0.0440% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.03 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   3.38 +/- 0.18  99.989% * 95.5857% (0.84   0.34   0.34) =  99.999%  kept
          QD1   LEU  115 - HA    THR   77  16.38 +/- 1.52   0.011% *  4.4143% (0.65   0.02   0.02) =   0.001%
    Distance limit 3.41 A violated in 0 structures by 0.06 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 = 3.95, residual support = 39.2:
      O   HN    ASP-  78 - HB3   ASP-  78   2.68 +/- 0.58  99.948% * 99.9053% (0.95  10.0   3.95  39.16) = 100.000%  kept
          HN    VAL   75 - HB3   ASP-  78   9.87 +/- 0.66   0.052% *  0.0947% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2903 (8.53, 2.91, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 5.15, residual support = 39.2:
      O   HN    ASP-  78 - HB2   ASP-  78   2.60 +/- 0.46  99.954% * 99.9053% (0.95  10.0   5.15  39.16) = 100.000%  kept
          HN    VAL   75 - HB2   ASP-  78   9.73 +/- 0.47   0.046% *  0.0947% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 4.28, residual support = 55.2:
      O T HB3   GLU-  79 - HA    GLU-  79   2.76 +/- 0.23  99.974% * 99.1581% (1.00  10.0 10.00   4.28  55.22) = 100.000%  kept
        T HB2   GLN   90 - HA    GLU-  79  12.72 +/- 2.33   0.021% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU-  79  17.11 +/- 0.65   0.002% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  16.06 +/- 0.86   0.003% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  23.30 +/- 0.63   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  28.22 +/- 0.93   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2905 (2.38, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.58, residual support = 55.2:
      O   QG    GLU-  79 - HB3   GLU-  79   2.40 +/- 0.16  99.991% * 99.5936% (0.98  10.0   3.58  55.22) = 100.000%  kept
          QG    GLU-  79 - HB2   GLN   90  13.11 +/- 1.94   0.006% *  0.0370% (0.36   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  18.06 +/- 1.10   0.001% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  15.46 +/- 1.27   0.002% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  22.01 +/- 0.94   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  19.97 +/- 1.00   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  20.48 +/- 0.80   0.000% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  22.41 +/- 1.71   0.000% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  27.14 +/- 1.31   0.000% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  23.91 +/- 1.47   0.000% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  27.93 +/- 1.17   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  28.10 +/- 1.08   0.000% *  0.0259% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2906 (2.90, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.948, support = 2.49, residual support = 6.38:
          HB2   ASP-  76 - HB3   GLU-  79   3.37 +/- 0.51  86.103% * 36.0660% (1.00  1.00   1.97   3.45) =  78.480%  kept
          HB2   ASP-  78 - HB3   GLU-  79   4.91 +/- 0.65  13.712% * 62.0974% (0.76  1.00   4.42  17.07) =  21.519%  kept
        T HB2   ASN   28 - HB3   GLU-  79  13.51 +/- 1.08   0.041% *  0.6441% (0.18 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HB2   GLN   90  11.77 +/- 2.40   0.094% *  0.1044% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB2   GLN   90  13.21 +/- 2.19   0.039% *  0.1363% (0.37  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   GLU-  79  18.00 +/- 1.53   0.006% *  0.0917% (0.25  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HB2   GLN   90  20.96 +/- 1.26   0.002% *  0.2393% (0.07 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   GLU-  79  26.63 +/- 0.92   0.000% *  0.3549% (0.97  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB3   GLU-  79  25.20 +/- 0.87   0.001% *  0.0728% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLN   90  29.93 +/- 0.90   0.000% *  0.1319% (0.36  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  25.13 +/- 1.23   0.001% *  0.0341% (0.09  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLN   90  25.28 +/- 1.42   0.001% *  0.0270% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 4.28, residual support = 55.2:
      O T HA    GLU-  79 - HB3   GLU-  79   2.76 +/- 0.23  94.324% * 98.8585% (0.80  10.0 10.00   4.28  55.22) =  99.999%  kept
          HB    THR   77 - HB2   GLN   90   6.10 +/- 2.26   4.859% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HB3   GLU-  79   7.90 +/- 0.35   0.210% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLN   90   6.90 +/- 0.77   0.544% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HB2   GLN   90  12.72 +/- 2.33   0.018% *  0.3673% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  13.20 +/- 1.80   0.011% *  0.0434% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  13.40 +/- 0.58   0.009% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  13.45 +/- 0.66   0.009% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  17.58 +/- 1.36   0.002% *  0.1210% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.85 +/- 1.23   0.001% *  0.1168% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  17.05 +/- 1.37   0.002% *  0.0450% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  13.48 +/- 0.64   0.008% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  24.72 +/- 0.86   0.000% *  0.1071% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  22.41 +/- 1.13   0.000% *  0.0508% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  20.09 +/- 1.22   0.001% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  23.57 +/- 2.04   0.000% *  0.0128% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  28.41 +/- 0.49   0.000% *  0.0398% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  28.97 +/- 0.93   0.000% *  0.0343% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  29.26 +/- 2.46   0.000% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  38.96 +/- 2.21   0.000% *  0.0102% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.27, support = 3.96, residual support = 90.1:
      O T HA    GLN   90 - HB2   GLN   90   2.50 +/- 0.21  97.326% * 96.0605% (0.27  10.0 10.00   3.96  90.06) =  99.998%  kept
          HA    ALA   91 - HB2   GLN   90   4.90 +/- 0.42   2.630% *  0.0644% (0.18   1.0  1.00   0.02  32.19) =   0.002%
        T HA    GLN   90 - HB3   GLU-  79  11.89 +/- 1.89   0.016% *  2.5853% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   GLU-  79  11.17 +/- 0.91   0.016% *  0.0990% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  13.76 +/- 1.77   0.006% *  0.1105% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   GLU-  79  15.06 +/- 1.19   0.003% *  0.1733% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  15.11 +/- 1.59   0.002% *  0.0856% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  20.64 +/- 1.54   0.000% *  0.2974% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  17.98 +/- 1.16   0.001% *  0.0696% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  21.46 +/- 0.74   0.000% *  0.2303% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  22.35 +/- 1.26   0.000% *  0.1873% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  18.81 +/- 1.36   0.001% *  0.0368% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2909 (2.90, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 0.942, support = 2.41, residual support = 6.72:
          HB2   ASP-  76 - HB2   GLU-  79   3.24 +/- 0.44  85.108% * 35.3645% (1.00   1.81   3.45) =  75.978%  kept
          HB2   ASP-  78 - HB2   GLU-  79   4.92 +/- 0.82  14.865% * 64.0149% (0.76   4.29  17.07) =  24.022%  kept
          HB2   ASN   28 - HB2   GLU-  79  13.34 +/- 0.93   0.023% *  0.0685% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLU-  79  17.86 +/- 1.47   0.004% *  0.0975% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLU-  79  26.41 +/- 0.92   0.000% *  0.3773% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLU-  79  25.01 +/- 0.87   0.000% *  0.0774% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 5.43, residual support = 48.9:
          HN    LEU   80 - HB2   GLU-  79   2.56 +/- 0.72  99.962% * 98.5297% (0.61   5.43  48.86) = 100.000%  kept
          HN    SER   85 - HB2   GLU-  79  10.79 +/- 0.62   0.031% *  0.2914% (0.49   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLU-  79  16.14 +/- 1.07   0.004% *  0.2247% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLU-  79  17.51 +/- 0.93   0.002% *  0.5194% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLU-  79  19.46 +/- 0.87   0.001% *  0.4348% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 5.57, residual support = 48.9:
          HN    LEU   80 - HB3   GLU-  79   2.82 +/- 0.68  99.185% * 97.9176% (0.61   5.57  48.86) =  99.999%  kept
          HN    SER   85 - HB2   GLN   90   7.83 +/- 1.22   0.658% *  0.1048% (0.18   0.02   0.02) =   0.001%
          HN    SER   85 - HB3   GLU-  79  10.97 +/- 0.59   0.042% *  0.2821% (0.49   0.02   0.02) =   0.000%
          HN    LEU   80 - HB2   GLN   90  11.66 +/- 2.17   0.061% *  0.1306% (0.23   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLN   90  12.08 +/- 1.64   0.045% *  0.0808% (0.14   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  17.71 +/- 0.91   0.003% *  0.5027% (0.87   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   GLU-  79  16.27 +/- 1.11   0.006% *  0.2175% (0.38   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   GLU-  79  19.68 +/- 0.89   0.001% *  0.4208% (0.73   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  24.14 +/- 0.96   0.000% *  0.1868% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLN   90  25.46 +/- 0.71   0.000% *  0.1564% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.59, residual support = 90.1:
      O   HN    GLN   90 - HB2   GLN   90   3.90 +/- 0.31  99.279% * 98.6230% (0.23  10.0   5.59  90.06) =  99.999%  kept
          HN    GLY  109 - HB2   GLN   90  10.48 +/- 1.53   0.393% *  0.1458% (0.33   1.0   0.02   0.02) =   0.001%
          HN    GLN   90 - HB3   GLU-  79  12.50 +/- 1.79   0.159% *  0.2654% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS   22 - HB3   GLU-  79  11.94 +/- 0.81   0.150% *  0.0675% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLU-  79  18.76 +/- 0.94   0.009% *  0.3925% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLU-  79  23.66 +/- 1.37   0.002% *  0.3504% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB2   GLN   90  20.93 +/- 1.55   0.005% *  0.1302% (0.30   1.0   0.02   0.02) =   0.000%
          HE1   HIS   22 - HB2   GLN   90  24.33 +/- 2.31   0.002% *  0.0251% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.13, residual support = 48.9:
          HN    LEU   80 - QG    GLU-  79   3.30 +/- 0.48  99.822% * 98.4451% (0.61   5.13  48.86) =  99.999%  kept
          HN    SER   85 - QG    GLU-  79  10.03 +/- 0.39   0.151% *  0.3082% (0.49   0.02   0.02) =   0.000%
          HN    GLN   32 - QG    GLU-  79  15.25 +/- 0.72   0.013% *  0.5492% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - QG    GLU-  79  17.31 +/- 0.69   0.006% *  0.4598% (0.73   0.02   0.02) =   0.000%
          HN    CYS   53 - QG    GLU-  79  16.27 +/- 0.84   0.009% *  0.2376% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.48, residual support = 48.9:
      O   HN    LEU   80 - HA    GLU-  79   3.59 +/- 0.15  99.802% * 99.2120% (0.28  10.0   5.48  48.86) =  99.999%  kept
          HN    SER   85 - HA    GLU-  79  10.23 +/- 0.20   0.191% *  0.2980% (0.84   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HA    GLU-  79  19.31 +/- 0.58   0.004% *  0.3560% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    GLU-  79  21.57 +/- 0.61   0.002% *  0.1339% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.42 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.633, support = 4.0, residual support = 77.1:
      O   HB2   LEU   80 - QD2   LEU   80   2.42 +/- 0.24  32.772% * 71.2691% (0.87  10.0  1.00   3.64  77.13) =  55.413%  kept
      O   HG    LEU   80 - QD2   LEU   80   2.12 +/- 0.02  67.054% * 28.0259% (0.34  10.0  1.00   4.44  77.13) =  44.586%  kept
        T HB3   LEU   73 - QD2   LEU   80   6.57 +/- 0.75   0.094% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   80   6.95 +/- 0.68   0.065% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD2   LEU   80  11.32 +/- 0.89   0.003% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   80  10.85 +/- 0.74   0.004% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  11.40 +/- 0.42   0.003% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  13.00 +/- 1.59   0.002% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  13.62 +/- 0.85   0.001% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  12.94 +/- 0.76   0.001% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  17.33 +/- 1.37   0.000% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  19.03 +/- 1.30   0.000% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  17.57 +/- 1.21   0.000% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  17.52 +/- 1.24   0.000% *  0.0183% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  21.34 +/- 1.12   0.000% *  0.0144% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2916 (4.82, 0.59, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.966, support = 4.27, residual support = 21.2:
          HA    THR   23 - QD2   LEU   80   2.49 +/- 0.41  83.103% * 35.8677% (0.99   3.99  10.46) =  81.898%  kept
          HA    LEU   80 - QD2   LEU   80   3.68 +/- 0.46  12.537% * 46.7078% (0.87   5.93  77.13) =  16.090%  kept
          HB    THR   23 - QD2   LEU   80   4.27 +/- 0.74   4.258% * 17.1977% (0.73   2.61  10.46) =   2.012%  kept
          HA    ASP-  78 - QD2   LEU   80   8.13 +/- 0.58   0.100% *  0.1454% (0.80   0.02   2.40) =   0.000%
          HA    ASP- 105 - QD2   LEU   80  16.61 +/- 0.72   0.001% *  0.0814% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.502, support = 3.34, residual support = 12.2:
          HN    THR   23 - QD2   LEU   80   3.76 +/- 0.31  77.903% * 25.8934% (0.41   3.40  10.46) =  71.073%  kept
          HE3   TRP   27 - QD2   LEU   80   5.55 +/- 0.91  12.917% * 40.6701% (0.92   2.37   8.95) =  18.509%  kept
          HN    LYS+  81 - QD2   LEU   80   5.53 +/- 0.44   8.987% * 32.8982% (0.38   4.73  29.47) =  10.417%  kept
          QE    PHE   95 - QD2   LEU   80  10.44 +/- 0.71   0.176% *  0.1663% (0.45   0.02   0.02) =   0.001%
          QD    PHE   55 - QD2   LEU   80  17.07 +/- 0.87   0.009% *  0.3218% (0.87   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   80  17.04 +/- 0.54   0.009% *  0.0502% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.0, residual support = 9.4:
          HN    VAL   24 - QD2   LEU   80   2.45 +/- 0.54  99.918% * 99.5214% (0.31   3.00   9.40) = 100.000%  kept
          HN    VAL   43 - QD2   LEU   80   9.16 +/- 0.55   0.082% *  0.4786% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.254, support = 3.16, residual support = 21.4:
          HN    LYS+  81 - QD1   LEU   80   4.22 +/- 0.38  32.357% * 61.5306% (0.24   4.39  29.47) =  57.518%  kept
          HN    THR   23 - QD1   LEU   80   3.80 +/- 0.82  62.504% * 23.2093% (0.27   1.51  10.46) =  41.909%  kept
          HE3   TRP   27 - QD1   LEU   80   7.48 +/- 0.94   1.444% * 12.8256% (0.60   0.37   8.95) =   0.535%  kept
          HE3   TRP   27 - QD2   LEU   98   6.58 +/- 0.96   2.879% *  0.3948% (0.34   0.02   0.02) =   0.033%
          QE    PHE   95 - QD2   LEU   98   9.08 +/- 1.36   0.643% *  0.1917% (0.17   0.02   0.02) =   0.004%
          QE    PHE   95 - QD1   LEU   80  11.36 +/- 0.98   0.076% *  0.3345% (0.29   0.02   0.02) =   0.001%
          HN    THR   23 - QD2   LEU   98  12.96 +/- 1.06   0.034% *  0.1758% (0.15   0.02   0.02) =   0.000%
          QD    PHE   55 - QD1   LEU   80  17.25 +/- 1.23   0.006% *  0.6472% (0.56   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU   98  14.74 +/- 0.90   0.015% *  0.1605% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   98  17.28 +/- 1.14   0.006% *  0.3710% (0.32   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   98  13.12 +/- 1.09   0.031% *  0.0579% (0.05   0.02   0.02) =   0.000%
          HN    LEU   67 - QD1   LEU   80  18.32 +/- 0.85   0.004% *  0.1010% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 4.88, residual support = 101.4:
          HN    LYS+  81 - QG    LYS+  81   2.14 +/- 0.40  99.950% * 98.5427% (0.87   4.88 101.42) = 100.000%  kept
          HE3   TRP   27 - HG2   LYS+  33   9.26 +/- 1.35   0.034% *  0.1000% (0.21   0.02   0.02) =   0.000%
          QD    PHE   60 - QG    LYS+  81  14.50 +/- 0.90   0.003% *  0.2450% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  13.16 +/- 1.01   0.003% *  0.2088% (0.45   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+ 106  13.18 +/- 0.90   0.004% *  0.0539% (0.12   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  18.05 +/- 0.85   0.001% *  0.1748% (0.38   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  15.22 +/- 1.23   0.002% *  0.0459% (0.10   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+  33  16.76 +/- 1.48   0.001% *  0.1173% (0.25   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  15.90 +/- 0.94   0.001% *  0.0385% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  21.25 +/- 1.19   0.000% *  0.1934% (0.42   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  20.24 +/- 1.27   0.000% *  0.0889% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  19.08 +/- 1.89   0.000% *  0.0302% (0.06   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  17.96 +/- 1.74   0.001% *  0.0139% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  23.74 +/- 0.73   0.000% *  0.0630% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  27.36 +/- 1.23   0.000% *  0.0837% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.647, support = 0.749, residual support = 1.5:
          HN    GLU-  79 - QG    LYS+  81   3.67 +/- 0.27  99.487% * 93.9012% (0.65   0.75   1.50) =  99.997%  kept
          HN    THR   94 - QG    LYS+  81  12.23 +/- 0.71   0.092% *  0.9661% (0.25   0.02   0.02) =   0.001%
          HN    VAL   70 - HG2   LYS+  33  12.43 +/- 2.12   0.106% *  0.7626% (0.20   0.02   0.02) =   0.001%
          HN    THR   94 - HG2   LYS+ 106  10.64 +/- 1.01   0.291% *  0.2126% (0.05   0.02   0.02) =   0.001%
          HN    GLU-  79 - HG2   LYS+  33  20.80 +/- 0.90   0.003% *  1.2001% (0.31   0.02   0.02) =   0.000%
          HN    VAL   70 - HG2   LYS+ 106  17.19 +/- 1.24   0.011% *  0.3505% (0.09   0.02   0.02) =   0.000%
          HN    VAL   70 - QG    LYS+  81  23.59 +/- 0.46   0.002% *  1.5929% (0.41   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+ 106  20.50 +/- 1.29   0.004% *  0.5515% (0.14   0.02   0.02) =   0.000%
          HN    THR   94 - HG2   LYS+  33  20.96 +/- 1.05   0.003% *  0.4626% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.18, residual support = 101.4:
      O   HN    LYS+  81 - QB    LYS+  81   2.51 +/- 0.21  99.115% * 99.1682% (0.38  10.0   5.18 101.42) = 100.000%  kept
          QD    PHE   55 - HB3   PRO   52   5.81 +/- 0.50   0.828% *  0.0263% (0.10   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - QB    LYS+  81  10.90 +/- 0.36   0.017% *  0.1086% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    LYS+  81  13.68 +/- 0.95   0.005% *  0.2439% (0.92   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   PRO   52  10.82 +/- 1.71   0.031% *  0.0136% (0.05   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    LYS+  81  15.02 +/- 1.14   0.003% *  0.1185% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    LYS+  81  18.59 +/- 1.00   0.001% *  0.2292% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  18.60 +/- 0.85   0.001% *  0.0114% (0.04   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  22.07 +/- 0.94   0.000% *  0.0280% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  24.57 +/- 0.59   0.000% *  0.0358% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  21.79 +/- 1.00   0.000% *  0.0125% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  21.90 +/- 1.41   0.000% *  0.0041% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 5.26, residual support = 101.4:
      O   HN    LYS+  81 - HA    LYS+  81   2.82 +/- 0.03  99.984% * 99.8291% (0.87  10.0   5.26 101.42) = 100.000%  kept
          HE3   TRP   27 - HA    LYS+  81  13.41 +/- 1.10   0.010% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   60 - HA    LYS+  81  15.33 +/- 0.83   0.004% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  19.24 +/- 0.96   0.001% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  25.40 +/- 0.67   0.000% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 0.784, support = 2.35, residual support = 10.1:
          HA    ASP-  78 - QG    LYS+  81   3.28 +/- 0.61  76.406% * 37.3109% (0.98   1.14   0.76) =  67.638%  kept
          HA    LEU   80 - QG    LYS+  81   4.28 +/- 0.46  22.452% * 60.7376% (0.38   4.86  29.47) =  32.354%  kept
          HA    THR   23 - QG    LYS+  81   7.94 +/- 0.54   0.486% *  0.5088% (0.76   0.02   0.02) =   0.006%
          HB    THR   23 - QG    LYS+  81   8.28 +/- 0.91   0.463% *  0.1660% (0.25   0.02   0.02) =   0.002%
          HA    PHE   45 - QG    LYS+  81   9.58 +/- 0.42   0.140% *  0.1027% (0.15   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+  33  15.07 +/- 0.95   0.012% *  0.2436% (0.37   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+  33  16.00 +/- 1.14   0.009% *  0.0795% (0.12   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+ 106  13.53 +/- 1.18   0.019% *  0.0226% (0.03   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+  33  18.77 +/- 1.30   0.003% *  0.1196% (0.18   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+  33  17.50 +/- 0.83   0.004% *  0.0492% (0.07   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+  33  24.12 +/- 0.88   0.001% *  0.3124% (0.47   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+ 106  20.50 +/- 1.14   0.001% *  0.1120% (0.17   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+ 106  21.62 +/- 1.30   0.001% *  0.1436% (0.22   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+ 106  19.52 +/- 1.24   0.002% *  0.0550% (0.08   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+ 106  22.64 +/- 1.30   0.001% *  0.0365% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.01 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 = 3.43, residual support = 33.5:
      O   HN    SER   82 - HB3   SER   82   2.97 +/- 0.17 100.000% * 99.5254% (0.41  10.0   3.43  33.46) = 100.000%  kept
          HN    GLY   16 - HB3   SER   82  26.05 +/- 1.33   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB3   SER   82  28.70 +/- 0.89   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.372, support = 3.64, residual support = 16.0:
      O   HN    TRP   49 - HA    SER   48   3.58 +/- 0.05  33.703% * 85.5007% (0.40  10.0   3.61  15.46) =  83.166%  kept
          HN    VAL   83 - HB2   SER   82   3.34 +/- 0.15  50.778% * 10.4234% (0.24   1.0   4.10  20.34) =  15.275%  kept
          HN    CYS   50 - HA    SER   48   4.27 +/- 0.81  15.425% *  3.5002% (0.36   1.0   0.91   0.02) =   1.558%  kept
          HE22  GLN   30 - HA    VAL   70  10.05 +/- 0.70   0.075% *  0.0241% (0.11   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB2   SER   82  16.99 +/- 0.89   0.003% *  0.1557% (0.72   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HB2   SER   82  18.11 +/- 1.16   0.002% *  0.1400% (0.65   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    SER   48  14.72 +/- 1.27   0.008% *  0.0279% (0.13   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HB2   SER   82  17.36 +/- 1.62   0.003% *  0.0695% (0.32   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    SER   48  19.50 +/- 1.12   0.001% *  0.0382% (0.18   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  24.54 +/- 0.82   0.000% *  0.0486% (0.23   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  25.74 +/- 0.77   0.000% *  0.0541% (0.25   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  22.33 +/- 1.01   0.001% *  0.0176% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 4.04, residual support = 33.5:
      O   HN    SER   82 - HB2   SER   82   2.18 +/- 0.33  99.533% * 99.0159% (0.39  10.0   4.04  33.46) = 100.000%  kept
          HN    GLY   16 - HA    VAL   70   7.08 +/- 1.22   0.461% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    SER   48  14.01 +/- 1.50   0.005% *  0.0544% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    VAL   70  18.54 +/- 0.95   0.001% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  22.42 +/- 0.99   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    SER   48  23.28 +/- 1.11   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HB2   SER   82  26.69 +/- 1.10   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB2   SER   82  29.38 +/- 0.91   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  24.49 +/- 0.86   0.000% *  0.0344% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 5.34, residual support = 42.2:
          HN    ALA   84 - HB    VAL   83   3.04 +/- 0.26  99.993% * 98.8159% (0.44   5.34  42.23) = 100.000%  kept
          HE21  GLN   32 - HB    VAL   83  17.90 +/- 1.69   0.004% *  0.6813% (0.80   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB    VAL   83  20.15 +/- 1.00   0.001% *  0.3698% (0.44   0.02   0.02) =   0.000%
          HN    ILE   56 - HB    VAL   83  20.21 +/- 1.15   0.001% *  0.1330% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.77, residual support = 87.1:
      O   HN    VAL   83 - HB    VAL   83   2.31 +/- 0.30  99.997% * 99.8243% (0.65  10.0   4.77  87.15) = 100.000%  kept
          HN    CYS   50 - HB    VAL   83  16.00 +/- 0.86   0.001% *  0.1375% (0.90   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB    VAL   83  15.46 +/- 0.47   0.001% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.95, support = 0.02, residual support = 0.02:
          HZ2   TRP   87 - HA    ALA   84   6.95 +/- 0.65  86.018% * 31.7530% (0.96   0.02   0.02) =  88.037%  kept
          HD21  ASN   28 - HA    ALA   84  10.13 +/- 0.95  10.112% * 30.7120% (0.93   0.02   0.02) =  10.010%  kept
          QE    PHE   60 - HA    ALA   84  12.71 +/- 1.58   3.260% * 16.7431% (0.51   0.02   0.02) =   1.759%  kept
          HN    ILE   56 - HA    ALA   84  17.29 +/- 0.91   0.411% *  8.8482% (0.27   0.02   0.02) =   0.117%
          HN    LEU   63 - HA    ALA   84  19.44 +/- 0.65   0.199% * 11.9438% (0.36   0.02   0.02) =   0.077%
    Distance limit 3.43 A violated in 20 structures by 3.34 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 0.437, residual support = 0.437:
          QE    PHE   45 - HA    ALA   84   3.20 +/- 0.71  99.976% * 92.9885% (0.81   0.44   0.44) =  99.999%  kept
          QD    PHE   72 - HA    ALA   84  15.11 +/- 0.82   0.018% *  4.9169% (0.93   0.02   0.02) =   0.001%
          HZ    PHE   72 - HA    ALA   84  18.98 +/- 1.59   0.005% *  2.0946% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.07 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.913, support = 1.41, residual support = 13.8:
          HB    ILE   89 - HA    ALA   84   2.47 +/- 0.40  99.996% * 98.5007% (0.91   1.41  13.77) = 100.000%  kept
          QG1   ILE   56 - HA    ALA   84  14.82 +/- 1.02   0.003% *  0.6626% (0.43   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ALA   84  20.28 +/- 0.57   0.001% *  0.8367% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.751, support = 3.32, residual support = 31.3:
          QG2   VAL   83 - HA    ALA   84   3.46 +/- 0.29  64.139% * 47.1078% (0.66   3.55  42.23) =  61.522%  kept
          QD1   ILE   89 - HA    ALA   84   3.90 +/- 0.39  35.793% * 52.7958% (0.89   2.96  13.77) =  38.478%  kept
          QD2   LEU   31 - HA    ALA   84  10.89 +/- 0.63   0.069% *  0.0965% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 2.84, residual support = 13.8:
          HG13  ILE   89 - HA    ALA   84   2.63 +/- 1.12 100.000% *100.0000% (0.55   2.84  13.77) = 100.000%  kept
    Distance limit 3.75 A violated in 2 structures by 0.20 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.776, support = 3.77, residual support = 28.0:
          QG2   VAL   83 - QB    ALA   84   4.12 +/- 0.37  55.539% * 44.1371% (0.66  1.00   3.92  42.23) =  50.162%  kept
          QD1   ILE   89 - QB    ALA   84   4.35 +/- 0.40  44.243% * 55.0444% (0.89  1.00   3.63  13.77) =  49.835%  kept
        T QD2   LEU   31 - QB    ALA   84  10.44 +/- 0.49   0.218% *  0.8185% (0.24 10.00   0.02   0.02) =   0.004%
    Distance limit 3.76 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.78, residual support = 13.8:
          HG13  ILE   89 - QB    ALA   84   3.68 +/- 0.80 100.000% *100.0000% (0.55   3.78  13.77) = 100.000%  kept
    Distance limit 3.68 A violated in 2 structures by 0.25 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 0.02, residual support = 0.437:
          QD    PHE   45 - QB    ALA   84   3.74 +/- 0.61  99.985% * 73.1356% (0.87   0.02   0.44) =  99.997%  kept
          HD2   HIS  122 - QB    ALA   84  18.32 +/- 0.81   0.011% * 14.2817% (0.17   0.02   0.02) =   0.002%
          HE22  GLN  116 - QB    ALA   84  21.88 +/- 1.30   0.004% * 12.5826% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 1 structures by 0.15 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.654, support = 0.02, residual support = 0.02:
          HN    TRP   49 - QB    ALA   84   9.91 +/- 0.79  85.624% * 28.9138% (0.59   0.02   0.02) =  79.366%  kept
          HE22  GLN   30 - QB    ALA   84  13.69 +/- 0.60  13.530% * 46.0056% (0.93   0.02   0.02) =  19.954%  kept
          HD22  ASN   69 - QB    ALA   84  21.85 +/- 1.22   0.846% * 25.0806% (0.51   0.02   0.02) =   0.680%  kept
    Distance limit 4.11 A violated in 20 structures by 5.54 A, eliminated.
    Peak unassigned.
 
    Peak 2940 (8.05, 3.96, 63.04 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.15, residual support = 18.2:
      O   HN    SER   85 - QB    SER   85   2.18 +/- 0.03  99.984% * 99.7822% (0.99  10.0   3.15  18.15) = 100.000%  kept
          HN    SER   85 - QB    SER   48  12.74 +/- 1.69   0.004% *  0.0243% (0.24   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  12.57 +/- 0.64   0.003% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  11.08 +/- 0.55   0.006% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  17.59 +/- 0.94   0.000% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  12.91 +/- 1.12   0.003% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  19.73 +/- 0.91   0.000% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  22.80 +/- 0.92   0.000% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  21.83 +/- 1.30   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  24.98 +/- 0.90   0.000% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  23.77 +/- 0.71   0.000% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  23.21 +/- 0.84   0.000% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2941 (8.30, 3.96, 63.04 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - QB    SER   85   2.98 +/- 0.07  99.909% * 97.6196% (0.87   3.33  13.43) = 100.000%  kept
          HN    GLU-  29 - QB    SER   85  15.40 +/- 0.65   0.006% *  0.6619% (0.98   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   85  16.13 +/- 0.72   0.004% *  0.5407% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER   48  14.47 +/- 1.47   0.009% *  0.1428% (0.21   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  10.48 +/- 0.82   0.060% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER   48  19.83 +/- 0.92   0.001% *  0.1614% (0.24   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   48  19.72 +/- 0.86   0.001% *  0.1318% (0.20   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  16.42 +/- 1.20   0.004% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  21.17 +/- 1.21   0.001% *  0.0904% (0.13   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  21.86 +/- 0.47   0.001% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  23.00 +/- 2.12   0.001% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  24.42 +/- 0.90   0.000% *  0.0834% (0.12   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  27.50 +/- 1.30   0.000% *  0.1503% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER  117  26.15 +/- 0.94   0.000% *  0.1021% (0.15   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  19.66 +/- 1.16   0.001% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  24.94 +/- 1.42   0.000% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  23.23 +/- 1.56   0.001% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  25.81 +/- 1.10   0.000% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2942 (8.67, 3.96, 63.04 ppm):
    6 chemical-shift based assignments, quality = 0.124, support = 2.79, residual support = 15.2:
      O   HN    SER  117 - QB    SER  117   2.15 +/- 0.09 100.000% * 98.5738% (0.12  10.0   2.79  15.20) = 100.000%  kept
          HN    SER  117 - QB    SER   85  23.16 +/- 0.96   0.000% *  0.6389% (0.80   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   85  24.80 +/- 0.70   0.000% *  0.4517% (0.57   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - QB    SER   48  22.06 +/- 1.09   0.000% *  0.1558% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  19.95 +/- 0.92   0.000% *  0.0697% (0.09   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   48  21.80 +/- 1.04   0.000% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2943 (8.05, 4.28, 61.37 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 18.2:
      O   HN    SER   85 - HA    SER   85   2.79 +/- 0.03  99.982% * 99.8725% (0.99  10.0   3.65  18.15) = 100.000%  kept
          HN    THR   94 - HA    SER   85  12.06 +/- 0.80   0.017% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  20.03 +/- 0.85   0.001% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  21.97 +/- 0.85   0.000% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2944 (8.31, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.56, residual support = 41.9:
      O   HN    ASP-  86 - HB3   ASP-  86   2.69 +/- 0.60  99.965% * 99.6620% (0.95  10.0   3.56  41.92) = 100.000%  kept
          HN    GLN   30 - HB3   ASP-  86  13.61 +/- 0.91   0.013% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   ASP-  86  13.11 +/- 0.72   0.014% *  0.0596% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASP-  86  16.44 +/- 1.55   0.007% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  22.05 +/- 2.94   0.001% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  26.84 +/- 1.77   0.000% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2945 (8.32, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 5.06, residual support = 41.9:
      O   HN    ASP-  86 - HB2   ASP-  86   2.61 +/- 0.19  99.984% * 99.2641% (0.49  10.0   5.06  41.92) = 100.000%  kept
          HN    GLN   30 - HB2   ASP-  86  13.40 +/- 0.68   0.006% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASP-  86  15.75 +/- 1.05   0.002% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  13.13 +/- 0.57   0.007% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASP-  86  20.92 +/- 2.79   0.001% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  26.13 +/- 1.60   0.000% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.45, support = 3.6, residual support = 22.5:
          HD1   TRP   87 - HB2   ASP-  86   3.66 +/- 0.33  76.900% * 37.6754% (0.38   3.60  22.51) =  67.641%  kept
          HE3   TRP   87 - HB2   ASP-  86   4.77 +/- 0.80  22.896% * 60.5318% (0.61   3.58  22.51) =  32.357%  kept
          HN    ALA   91 - HB2   ASP-  86  10.97 +/- 0.65   0.110% *  0.5269% (0.95   0.02   0.02) =   0.001%
          HN    TRP   27 - HB2   ASP-  86  11.34 +/- 0.41   0.088% *  0.5375% (0.97   0.02   0.02) =   0.001%
          HN    ALA   61 - HB2   ASP-  86  21.00 +/- 0.61   0.002% *  0.4995% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASP-  86  20.12 +/- 0.91   0.003% *  0.2290% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2947 (3.83, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.223, support = 2.25, residual support = 10.7:
        T HA    VAL   83 - HB2   ASP-  86   3.28 +/- 0.49  98.884% * 98.2344% (0.22 10.00   2.25  10.73) =  99.998%  kept
          HB3   SER   82 - HB2   ASP-  86   7.05 +/- 0.64   1.088% *  0.1814% (0.41  1.00   0.02   0.02) =   0.002%
          HA    GLN   30 - HB2   ASP-  86  15.72 +/- 0.78   0.010% *  0.4258% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   ASP-  86  18.63 +/- 1.43   0.004% *  0.3957% (0.90  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   ASP-  86  19.54 +/- 0.88   0.003% *  0.4073% (0.92  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB2   ASP-  86  17.75 +/- 1.18   0.005% *  0.0873% (0.20  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  19.53 +/- 0.95   0.003% *  0.0681% (0.15  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   ASP-  86  23.43 +/- 0.90   0.001% *  0.1227% (0.28  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  25.46 +/- 1.39   0.001% *  0.0773% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2948 (8.32, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.05, residual support = 41.9:
      O   HN    ASP-  86 - HA    ASP-  86   2.72 +/- 0.01  99.992% * 99.2641% (0.49  10.0   4.05  41.92) = 100.000%  kept
          HN    GLN   30 - HA    ASP-  86  15.85 +/- 0.95   0.003% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    ASP-  86  17.43 +/- 1.17   0.002% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  15.30 +/- 0.81   0.003% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASP-  86  23.08 +/- 2.90   0.000% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASP-  86  28.99 +/- 1.76   0.000% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 3.57, residual support = 70.4:
          HE3   TRP   87 - HA    TRP   87   3.13 +/- 0.25  99.832% * 98.5858% (0.99   3.57  70.42) =  99.999%  kept
          HN    ALA   91 - HA    TRP   87   9.43 +/- 0.55   0.157% *  0.4831% (0.87   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    TRP   87  14.84 +/- 0.62   0.009% *  0.2930% (0.53   0.02   6.00) =   0.000%
          HN    ALA   61 - HA    TRP   87  20.49 +/- 0.88   0.001% *  0.5141% (0.92   0.02   0.02) =   0.000%
          HN    GLN   17 - HA    TRP   87  23.37 +/- 0.88   0.001% *  0.1240% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.26, residual support = 70.4:
      O   HE3   TRP   87 - HB2   TRP   87   2.54 +/- 0.11  99.943% * 99.7445% (0.99  10.0   3.26  70.42) = 100.000%  kept
          HN    ALA   91 - HB2   TRP   87   9.07 +/- 0.47   0.052% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   TRP   87  13.93 +/- 0.84   0.004% *  0.0529% (0.53   1.0   0.02   6.00) =   0.000%
          HN    ALA   61 - HB2   TRP   87  18.43 +/- 0.90   0.001% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB2   TRP   87  21.31 +/- 0.92   0.000% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2951 (7.72, 2.50, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.26, residual support = 70.4:
      O   HE3   TRP   87 - HB3   TRP   87   4.06 +/- 0.05  97.428% * 99.7445% (0.99  10.0   3.26  70.42) =  99.998%  kept
          HN    ALA   91 - HB3   TRP   87   7.63 +/- 0.61   2.479% *  0.0873% (0.87   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HB3   TRP   87  13.58 +/- 0.62   0.074% *  0.0529% (0.53   1.0   0.02   6.00) =   0.000%
          HN    ALA   61 - HB3   TRP   87  17.79 +/- 0.84   0.014% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB3   TRP   87  21.11 +/- 0.77   0.005% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 6 structures by 0.89 A, kept.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.899, support = 2.17, residual support = 19.4:
          QD1   ILE   89 - HB2   TRP   87   3.17 +/- 0.40  96.671% * 59.6861% (0.90   2.19  19.62) =  97.837%  kept
          QG2   VAL   83 - HB2   TRP   87   5.83 +/- 0.24   3.198% * 39.8716% (1.00   1.31   8.84) =   2.162%  kept
          QD2   LEU   31 - HB2   TRP   87   9.93 +/- 0.69   0.131% *  0.4423% (0.73   0.02   1.82) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2953 (0.11, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 3.79, residual support = 19.6:
        T QD1   ILE   89 - HB3   TRP   87   2.05 +/- 0.36  98.768% * 99.8495% (0.45 10.00   3.79  19.62) =  99.999%  kept
          QG2   VAL   83 - HB3   TRP   87   5.27 +/- 0.35   1.153% *  0.0496% (0.22  1.00   0.02   8.84) =   0.001%
          QG2   VAL   75 - HB3   TRP   87   7.30 +/- 0.47   0.069% *  0.0619% (0.28  1.00   0.02   0.02) =   0.000%
          QG2   VAL   42 - HB3   TRP   87  10.98 +/- 0.52   0.010% *  0.0390% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.223, support = 0.75, residual support = 19.6:
          HG12  ILE   89 - HB3   TRP   87   2.36 +/- 0.67  99.809% * 54.8868% (0.22   0.75  19.62) =  99.983%  kept
          QB    ALA   91 - HB3   TRP   87   8.03 +/- 0.74   0.131% *  5.7027% (0.87   0.02   0.02) =   0.014%
          HG2   LYS+  74 - HB3   TRP   87  12.91 +/- 0.73   0.012% *  5.8960% (0.90   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB3   TRP   87  12.27 +/- 1.85   0.024% *  2.7027% (0.41   0.02   0.02) =   0.001%
          QG2   THR   39 - HB3   TRP   87  16.72 +/- 0.83   0.004% *  5.7027% (0.87   0.02   0.02) =   0.000%
          QB    ALA   34 - HB3   TRP   87  13.72 +/- 0.57   0.010% *  1.6393% (0.25   0.02   0.02) =   0.000%
          HG    LEU   71 - HB3   TRP   87  17.83 +/- 0.82   0.002% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   TRP   87  18.63 +/- 0.75   0.002% *  6.5596% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB3   TRP   87  18.64 +/- 1.01   0.002% *  6.0688% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB3   TRP   87  15.51 +/- 1.56   0.004% *  1.1513% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB3   TRP   87  22.91 +/- 1.54   0.001% *  3.9875% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 11.2:
      O   HN    ALA   88 - HA    ALA   88   2.22 +/- 0.02  99.999% * 99.0353% (0.38  10.0   1.63  11.17) = 100.000%  kept
          HN    LEU   31 - HA    ALA   88  18.84 +/- 0.66   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ALA   88  19.24 +/- 1.31   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ALA   88  18.72 +/- 1.43   0.000% *  0.1449% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  23.23 +/- 0.73   0.000% *  0.2589% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 1.87, residual support = 11.2:
      O   HN    ALA   88 - QB    ALA   88   2.87 +/- 0.09  99.987% * 99.1577% (0.38  10.0   1.87  11.17) = 100.000%  kept
          HN    PHE   55 - QB    ALA   88  15.86 +/- 1.26   0.004% *  0.2448% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   88  16.34 +/- 0.57   0.003% *  0.2448% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - QB    ALA   88  15.71 +/- 1.35   0.004% *  0.1265% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA   88  19.14 +/- 0.79   0.001% *  0.2260% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2957 (0.10, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.98, residual support = 215.2:
          QD1   ILE   89 - HA    ILE   89   2.55 +/- 0.52  99.629% * 99.6619% (0.92   5.98 215.25) =  99.999%  kept
          QG2   VAL   83 - HA    ILE   89   7.22 +/- 0.48   0.362% *  0.2481% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   31 - HA    ILE   89  13.20 +/- 0.45   0.009% *  0.0901% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.35, residual support = 40.2:
      O   HN    GLN   90 - HA    ILE   89   2.66 +/- 0.41  99.663% * 99.8365% (0.99  10.0   6.35  40.21) = 100.000%  kept
          HN    GLY  109 - HA    ILE   89   7.56 +/- 0.63   0.306% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ILE   89  10.96 +/- 0.38   0.028% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA    ILE   89  15.95 +/- 1.11   0.003% *  0.0903% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.98, residual support = 215.2:
      O   HN    ILE   89 - HA    ILE   89   2.73 +/- 0.16  99.995% * 99.6601% (0.76  10.0   5.98 215.25) = 100.000%  kept
          HN    CYS   21 - HA    ILE   89  15.63 +/- 0.66   0.003% *  0.1170% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ILE   89  17.40 +/- 0.67   0.002% *  0.1234% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  25.31 +/- 0.49   0.000% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  21.88 +/- 0.52   0.000% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.929, support = 2.45, residual support = 8.12:
          HN    ALA   91 - HA    ILE   89   3.42 +/- 0.49  86.849% * 80.6985% (0.95   2.49   7.77) =  96.978%  kept
          HD1   TRP   87 - HA    ILE   89   5.16 +/- 0.62  12.589% * 17.3274% (0.38   1.35  19.62) =   3.018%  kept
          HE3   TRP   87 - HA    ILE   89   8.16 +/- 0.42   0.545% *  0.4158% (0.61   0.02  19.62) =   0.003%
          HN    TRP   27 - HA    ILE   89  15.84 +/- 0.62   0.010% *  0.6616% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE   89  17.05 +/- 0.84   0.006% *  0.6148% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE   89  23.84 +/- 0.47   0.001% *  0.2818% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.739, support = 5.31, residual support = 215.2:
      O T QD1   ILE   89 - HB    ILE   89   3.01 +/- 0.36  88.912% * 99.6065% (0.74  10.0 10.00   5.31 215.25) =  99.987%  kept
        T QD1   ILE   89 - HB    VAL   43   5.34 +/- 0.51   3.390% *  0.2175% (0.16   1.0 10.00   0.02   0.02) =   0.008%
          QG2   VAL   83 - HB    ILE   89   5.29 +/- 0.41   3.632% *  0.0741% (0.55   1.0  1.00   0.02   0.02) =   0.003%
        T QD2   LEU   31 - HB    VAL   43   5.95 +/- 0.50   2.040% *  0.0588% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB    VAL   43   6.19 +/- 0.81   2.002% *  0.0162% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    ILE   89  12.06 +/- 0.60   0.024% *  0.0269% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 215.2:
      O T HG13  ILE   89 - HB    ILE   89   2.39 +/- 0.19  99.847% * 99.7821% (0.78  10.0 10.00   4.97 215.25) = 100.000%  kept
        T HG13  ILE   89 - HB    VAL   43   7.24 +/- 0.54   0.153% *  0.2179% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2963 (7.92, 1.74, 34.76 ppm):
    10 chemical-shift based assignments, quality = 0.612, support = 5.55, residual support = 215.2:
      O   HN    ILE   89 - HB    ILE   89   2.64 +/- 0.33  99.853% * 99.5645% (0.61  10.0   5.55 215.25) = 100.000%  kept
          HN    CYS   21 - HB    VAL   43   9.58 +/- 0.60   0.070% *  0.0255% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    VAL   43   9.60 +/- 0.56   0.052% *  0.0217% (0.13   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    ILE   89  13.67 +/- 0.64   0.007% *  0.1168% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    ILE   89  18.96 +/- 0.74   0.001% *  0.1232% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  14.97 +/- 1.02   0.004% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  13.07 +/- 0.42   0.010% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  15.93 +/- 0.40   0.003% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  20.34 +/- 0.67   0.001% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  24.26 +/- 0.72   0.000% *  0.0738% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2964 (5.61, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   ILE   89   9.21 +/- 0.69 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.45 A violated in 20 structures by 5.76 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 0.75, residual support = 19.6:
          HD1   TRP   87 - QG2   ILE   89   4.05 +/- 0.13  99.757% * 92.1763% (0.95   0.75  19.62) =  99.997%  kept
          HN    TRP   27 - QG2   ILE   89  11.55 +/- 0.64   0.198% *  0.8864% (0.34   0.02   0.02) =   0.002%
          HN    LYS+ 102 - QG2   ILE   89  16.14 +/- 0.95   0.028% *  2.0807% (0.80   0.02   0.02) =   0.001%
          HN    THR   39 - QG2   ILE   89  19.00 +/- 0.42   0.010% *  2.3987% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   ILE   89  19.85 +/- 0.43   0.007% *  2.4580% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.56 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 7.2, residual support = 40.2:
          HN    GLN   90 - QG2   ILE   89   2.09 +/- 0.55  99.924% * 99.1838% (0.61   7.20  40.21) = 100.000%  kept
          HN    SER   82 - QG2   ILE   89   8.22 +/- 0.51   0.069% *  0.4192% (0.92   0.02   0.02) =   0.000%
          HN    ILE  103 - QG2   ILE   89  13.88 +/- 0.89   0.004% *  0.1867% (0.41   0.02   0.02) =   0.000%
          HN    SER  117 - QG2   ILE   89  15.12 +/- 1.00   0.003% *  0.0701% (0.15   0.02   0.02) =   0.000%
          HN    GLY   16 - QG2   ILE   89  17.74 +/- 0.67   0.001% *  0.1402% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 0.75, residual support = 12.2:
        T HB2   PHE   45 - QG2   ILE   89   2.65 +/- 0.42  99.951% * 99.5807% (0.97 10.00   0.75  12.19) = 100.000%  kept
          QE    LYS+ 111 - QG2   ILE   89  11.72 +/- 1.09   0.024% *  0.2745% (1.00  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QG2   ILE   89  10.91 +/- 0.70   0.025% *  0.1448% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.16, support = 5.42, residual support = 39.8:
          QG    GLN   90 - QG2   ILE   89   3.69 +/- 0.55  91.745% * 76.8862% (0.15   5.48  40.21) =  98.926%  kept
          HG2   MET   92 - QG2   ILE   89   7.14 +/- 1.11   4.756% * 15.6587% (0.73   0.24   0.02) =   1.044%  kept
          HB2   ASP-  44 - QG2   ILE   89   7.72 +/- 0.54   1.379% *  0.5058% (0.28   0.02   0.02) =   0.010%
          HB2   GLU-  79 - QG2   ILE   89   9.05 +/- 0.77   0.517% *  1.0300% (0.57   0.02   0.02) =   0.007%
          HG2   PRO   52 - QG2   ILE   89   8.09 +/- 0.83   1.222% *  0.4050% (0.22   0.02   0.02) =   0.007%
          QG    GLU- 114 - QG2   ILE   89  10.78 +/- 1.26   0.277% *  1.1769% (0.65   0.02   0.02) =   0.005%
          HB3   PHE   72 - QG2   ILE   89  12.54 +/- 0.82   0.080% *  0.3600% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE   89  17.17 +/- 1.14   0.012% *  0.6828% (0.38   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE   89  18.29 +/- 1.33   0.009% *  0.4537% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG2   ILE   89  22.31 +/- 0.44   0.002% *  1.3211% (0.73   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE   89  25.30 +/- 1.28   0.001% *  1.5196% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.487, support = 0.75, residual support = 12.2:
        T HB3   PHE   45 - QG2   ILE   89   2.46 +/- 0.51  99.589% * 97.9151% (0.49 10.00   0.75  12.19) =  99.999%  kept
          HB3   ASP-  86 - QG2   ILE   89   7.85 +/- 0.44   0.184% *  0.5364% (1.00  1.00   0.02   0.02) =   0.001%
          HG3   MET   96 - QG2   ILE   89   8.59 +/- 0.88   0.123% *  0.1830% (0.34  1.00   0.02   2.25) =   0.000%
          HB    VAL  107 - QG2   ILE   89   9.06 +/- 0.73   0.092% *  0.0828% (0.15  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QG2   ILE   89  13.45 +/- 1.46   0.007% *  0.2611% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QG2   ILE   89  15.06 +/- 0.83   0.003% *  0.4100% (0.76  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QG2   ILE   89  16.87 +/- 0.97   0.001% *  0.5177% (0.97  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QG2   ILE   89  22.11 +/- 1.00   0.000% *  0.0939% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.474, support = 2.19, residual support = 13.2:
          QB    ALA   84 - QG2   ILE   89   3.05 +/- 0.45  92.671% * 30.2894% (0.49   1.98  13.77) =  92.679%  kept
          QB    ALA   88 - QG2   ILE   89   5.40 +/- 0.15   4.018% * 51.0651% (0.31   5.26   7.09) =   6.775%  kept
          HB3   PRO   93 - QG2   ILE   89   6.93 +/- 0.54   1.093% * 13.9236% (0.45   0.99   0.02) =   0.502%  kept
          HB3   LEU   80 - QG2   ILE   89   6.46 +/- 0.81   1.316% *  0.6236% (0.99   0.02   0.02) =   0.027%
          HB3   ASP-  44 - QG2   ILE   89   7.29 +/- 0.57   0.763% *  0.5458% (0.87   0.02   0.02) =   0.014%
          HG2   LYS+ 111 - QG2   ILE   89  11.90 +/- 1.13   0.042% *  0.6072% (0.97   0.02   0.02) =   0.001%
          HG    LEU   98 - QG2   ILE   89  11.34 +/- 0.80   0.050% *  0.3816% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   63 - QG2   ILE   89  12.58 +/- 0.84   0.030% *  0.5952% (0.95   0.02   0.02) =   0.001%
          HB2   LEU   31 - QG2   ILE   89  14.30 +/- 0.51   0.011% *  0.6236% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   ILE   89  17.90 +/- 0.65   0.003% *  0.4809% (0.76   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   ILE   89  19.60 +/- 0.71   0.002% *  0.4569% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   ILE   89  21.43 +/- 0.66   0.001% *  0.4070% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.69, residual support = 215.2:
      O T HG13  ILE   89 - QG2   ILE   89   2.57 +/- 0.26 100.000% *100.0000% (0.98  10.0 10.00   5.69 215.25) = 100.000%  kept
    Distance limit 3.12 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 = 6.31, residual support = 215.2:
        T QD1   ILE   89 - QG2   ILE   89   1.93 +/- 0.27  99.270% * 99.2348% (0.92 10.00   6.31 215.25) =  99.995%  kept
        T QG2   VAL   83 - QG2   ILE   89   5.24 +/- 0.55   0.723% *  0.7384% (0.69 10.00   0.02   0.02) =   0.005%
          QD2   LEU   31 - QG2   ILE   89  10.15 +/- 0.36   0.007% *  0.0268% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 5.56, residual support = 215.2:
      O T QD1   ILE   89 - HG12  ILE   89   2.15 +/- 0.01  99.146% * 99.4549% (0.92  10.0 10.00   5.56 215.25) =  99.999%  kept
          QG2   VAL   83 - HG12  ILE   89   5.21 +/- 0.83   0.839% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   ILE   89 - HG3   LYS+  99  15.81 +/- 0.87   0.001% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG12  ILE   89  11.32 +/- 0.67   0.005% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG3   LYS+  99  10.69 +/- 1.26   0.009% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  16.59 +/- 1.04   0.001% *  0.0300% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.14, residual support = 215.2:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00 100.000% * 99.5961% (0.98  10.0 10.00   5.14 215.25) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  20.27 +/- 0.94   0.000% *  0.4039% (0.40   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.79 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 = 215.2:
      O T QD1   ILE   89 - HG13  ILE   89   2.15 +/- 0.01  97.281% * 99.8079% (0.90  10.0 10.00   5.27 215.25) =  99.997%  kept
          QG2   VAL   83 - HG13  ILE   89   4.48 +/- 0.92   2.711% *  0.1113% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   31 - HG13  ILE   89  10.62 +/- 0.71   0.007% *  0.0808% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2976 (0.64, -0.08, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.69, residual support = 215.2:
      O T QG2   ILE   89 - HG13  ILE   89   2.57 +/- 0.26  99.560% * 99.9734% (0.84  10.0 10.00   5.69 215.25) = 100.000%  kept
          QG1   VAL   83 - HG13  ILE   89   6.86 +/- 0.86   0.440% *  0.0266% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2977 (1.75, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 4.97, residual support = 215.2:
      O T HB    ILE   89 - HG13  ILE   89   2.39 +/- 0.19  99.824% * 98.8208% (0.49  10.0 10.00   4.97 215.25) =  99.998%  kept
        T HB    VAL   43 - HG13  ILE   89   7.24 +/- 0.54   0.153% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - HG13  ILE   89  10.13 +/- 1.13   0.022% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG13  ILE   89  18.39 +/- 0.90   0.001% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  18.60 +/- 0.64   0.001% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.5, residual support = 215.2:
          HN    ILE   89 - HG13  ILE   89   3.21 +/- 0.55  99.952% * 98.7757% (0.76   5.50 215.25) = 100.000%  kept
          HN    CYS   21 - HG13  ILE   89  12.68 +/- 0.80   0.036% *  0.4212% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG13  ILE   89  17.90 +/- 1.07   0.007% *  0.4443% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG13  ILE   89  18.68 +/- 0.81   0.003% *  0.0929% (0.20   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE   89  22.42 +/- 0.57   0.001% *  0.2659% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.74, residual support = 215.2:
          HN    ILE   89 - HG12  ILE   89   2.02 +/- 0.44  99.980% * 98.2189% (0.76   5.74 215.25) = 100.000%  kept
          HN    SER   37 - HG3   LYS+  99  11.37 +/- 1.03   0.013% *  0.1029% (0.23   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE   89  14.21 +/- 0.68   0.001% *  0.4019% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG12  ILE   89  17.96 +/- 0.98   0.001% *  0.4240% (0.95   0.02   0.02) =   0.000%
          HN    ILE  119 - HG3   LYS+  99  16.32 +/- 1.87   0.001% *  0.1719% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG3   LYS+  99  14.30 +/- 0.97   0.003% *  0.0360% (0.08   0.02   0.02) =   0.000%
          HN    CYS   21 - HG3   LYS+  99  19.66 +/- 1.17   0.000% *  0.1630% (0.36   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  21.80 +/- 0.98   0.000% *  0.1389% (0.31   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE   89  23.16 +/- 0.61   0.000% *  0.2537% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  19.59 +/- 0.78   0.000% *  0.0887% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2980 (-0.07, 0.09, 9.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.27, residual support = 215.2:
      O T HG13  ILE   89 - QD1   ILE   89   2.15 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   5.27 215.25) = 100.000%  kept
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2981 (0.64, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.31, residual support = 215.2:
        T QG2   ILE   89 - QD1   ILE   89   1.93 +/- 0.27  99.912% * 99.7342% (0.84 10.00   6.31 215.25) = 100.000%  kept
        T QG1   VAL   83 - QD1   ILE   89   6.81 +/- 0.61   0.088% *  0.2658% (0.22 10.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2982 (1.22, 0.09, 9.19 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.56, residual support = 215.2:
      O T HG12  ILE   89 - QD1   ILE   89   2.15 +/- 0.01  99.967% * 99.2664% (1.00  10.0 10.00   5.56 215.25) = 100.000%  kept
          HG2   LYS+  74 - QD1   ILE   89   8.90 +/- 0.73   0.022% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   89  11.67 +/- 1.05   0.005% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD1   ILE   89  15.81 +/- 0.87   0.001% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  13.22 +/- 1.11   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  14.38 +/- 0.77   0.001% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  14.48 +/- 0.80   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  15.75 +/- 1.14   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2983 (1.75, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 5.31, residual support = 215.2:
      O T HB    ILE   89 - QD1   ILE   89   3.01 +/- 0.36  96.183% * 98.8208% (0.49  10.0 10.00   5.31 215.25) =  99.962%  kept
        T HB    VAL   43 - QD1   ILE   89   5.34 +/- 0.51   3.674% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.038%
          QD    LYS+  81 - QD1   ILE   89   9.76 +/- 0.87   0.124% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD1   ILE   89  14.16 +/- 0.83   0.010% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   89  14.39 +/- 0.51   0.009% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2984 (1.95, 0.09, 9.19 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 0.75, residual support = 2.25:
        T HB3   MET   96 - QD1   ILE   89   4.48 +/- 0.66  99.381% * 98.5213% (0.53 10.00   0.75   2.25) =  99.998%  kept
          HB3   ARG+  54 - QD1   ILE   89  14.29 +/- 1.05   0.172% *  0.4332% (0.87  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QD1   ILE   89  13.02 +/- 0.72   0.224% *  0.3029% (0.61  1.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QD1   ILE   89  14.75 +/- 0.64   0.100% *  0.4478% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD1   ILE   89  14.84 +/- 1.05   0.105% *  0.1703% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   ILE   89  19.57 +/- 1.18   0.018% *  0.1245% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 8 structures by 1.01 A, kept.
 
    Peak 2985 (2.49, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.79, residual support = 19.6:
        T HB3   TRP   87 - QD1   ILE   89   2.05 +/- 0.36  99.715% * 99.8369% (0.76 10.00   3.79  19.62) = 100.000%  kept
          HG3   MET   96 - QD1   ILE   89   6.11 +/- 0.77   0.284% *  0.0177% (0.14  1.00   0.02   2.25) =   0.000%
          HG3   GLN  116 - QD1   ILE   89  16.50 +/- 1.04   0.001% *  0.1091% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QD1   ILE   89  20.44 +/- 1.16   0.000% *  0.0363% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2986 (3.90, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.496, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  10.74 +/- 0.67  57.191% * 62.4025% (0.57   0.02   0.02) =  68.918%  kept
          HB    THR  118 - QD1   ILE   89  11.28 +/- 0.53  42.809% * 37.5975% (0.34   0.02   0.02) =  31.082%  kept
    Distance limit 2.86 A violated in 20 structures by 6.89 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 2.68, residual support = 12.2:
          QD    PHE   45 - QD1   ILE   89   2.72 +/- 0.39  99.987% * 96.2949% (0.45   2.68  12.19) = 100.000%  kept
          HD2   HIS  122 - QD1   ILE   89  13.46 +/- 0.85   0.010% *  1.5880% (0.99   0.02   0.02) =   0.000%
          HE22  GLN  116 - QD1   ILE   89  17.46 +/- 1.12   0.002% *  1.5705% (0.98   0.02   0.02) =   0.000%
          HE22  GLN   17 - QD1   ILE   89  18.85 +/- 1.30   0.001% *  0.5465% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2988 (7.69, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.917, support = 2.41, residual support = 19.6:
          HN    TRP   87 - QD1   ILE   89   4.11 +/- 0.17  76.737% * 79.1377% (0.97   2.44  19.62) =  93.041%  kept
          HE3   TRP   87 - QD1   ILE   89   5.05 +/- 0.24  23.230% * 19.5520% (0.28   2.09  19.62) =   6.959%  kept
          HN    GLN   17 - QD1   ILE   89  16.30 +/- 0.65   0.020% *  0.6733% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - QD1   ILE   89  17.54 +/- 1.08   0.013% *  0.6369% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2989 (7.92, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.87, residual support = 215.2:
          HN    ILE   89 - QD1   ILE   89   3.15 +/- 0.41  99.888% * 98.8521% (0.76   5.87 215.25) = 100.000%  kept
          HN    CYS   21 - QD1   ILE   89  10.93 +/- 0.60   0.078% *  0.3949% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - QD1   ILE   89  13.28 +/- 0.61   0.022% *  0.4166% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE   89  18.41 +/- 0.50   0.003% *  0.2493% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE   89  15.66 +/- 0.47   0.008% *  0.0871% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 5.68, residual support = 90.1:
          HN    GLN   90 - QG    GLN   90   2.75 +/- 0.64  99.887% * 99.2289% (0.69   5.68  90.06) = 100.000%  kept
          HN    GLY  109 - QG    GLN   90   9.24 +/- 2.24   0.110% *  0.3492% (0.69   0.02   0.02) =   0.000%
          HN    ILE  103 - QG    GLN   90  17.23 +/- 1.92   0.002% *  0.4219% (0.83   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.59, residual support = 90.1:
      O   HN    GLN   90 - HB3   GLN   90   3.50 +/- 0.22  99.200% * 99.8365% (0.83  10.0   5.59  90.06) = 100.000%  kept
          HN    GLY  109 - HB3   GLN   90   9.63 +/- 1.88   0.542% *  0.0280% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB3   GLN   90  10.80 +/- 2.33   0.256% *  0.0452% (0.37   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLN   90  20.05 +/- 1.31   0.003% *  0.0903% (0.75   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.161, support = 3.98, residual support = 55.2:
      O   HN    GLU-  79 - HB3   GLU-  79   2.77 +/- 0.31  99.529% * 98.3257% (0.16  10.0   3.98  55.22) =  99.998%  kept
          HN    SER   85 - HB2   GLN   90   7.83 +/- 1.22   0.327% *  0.3734% (0.61   1.0   0.02   0.02) =   0.001%
          HN    THR   94 - HB2   GLN   90  10.16 +/- 0.61   0.051% *  0.3357% (0.55   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   GLU-  79  10.97 +/- 0.59   0.033% *  0.2703% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB2   GLN   90  11.05 +/- 2.35   0.050% *  0.1359% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HB3   GLU-  79  13.94 +/- 0.81   0.008% *  0.2429% (0.40   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  17.71 +/- 0.91   0.002% *  0.1327% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  24.14 +/- 0.96   0.000% *  0.1834% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 4.28, residual support = 55.2:
      O T HA    GLU-  79 - HB3   GLU-  79   2.76 +/- 0.23  94.325% * 97.1719% (0.57  10.0 10.00   4.28  55.22) =  99.993%  kept
          HB    THR   77 - HB2   GLN   90   6.10 +/- 2.26   4.859% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.006%
          HA    SER   85 - HB2   GLN   90   6.90 +/- 0.77   0.544% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  79 - HB2   GLN   90  12.72 +/- 2.33   0.018% *  1.3427% (0.78   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  79   7.90 +/- 0.35   0.210% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  13.20 +/- 1.80   0.011% *  0.1188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  13.48 +/- 0.64   0.008% *  0.0995% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  13.40 +/- 0.58   0.009% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  13.45 +/- 0.66   0.009% *  0.0720% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  17.05 +/- 1.37   0.002% *  0.0776% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.85 +/- 1.23   0.001% *  0.0860% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  17.58 +/- 1.36   0.002% *  0.0561% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  20.09 +/- 1.22   0.001% *  0.1229% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  22.41 +/- 1.13   0.000% *  0.0889% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  24.72 +/- 0.86   0.000% *  0.0938% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  28.41 +/- 0.49   0.000% *  0.1296% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  29.26 +/- 2.46   0.000% *  0.0681% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  38.96 +/- 2.21   0.000% *  0.0941% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2994 (1.30, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.635, support = 0.517, residual support = 0.474:
          QB    ALA   88 - QG    GLN   90   5.10 +/- 1.34  39.362% * 90.7600% (0.62   0.56   0.51) =  92.682%  kept
          QG2   THR   77 - QG    GLN   90   4.37 +/- 1.76  60.588% *  4.6543% (0.88   0.02   0.02) =   7.316%  kept
          QG2   THR   23 - QG    GLN   90  12.32 +/- 2.13   0.048% *  1.7821% (0.34   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QG    GLN   90  22.40 +/- 1.13   0.001% *  1.1840% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG    GLN   90  26.02 +/- 0.89   0.000% *  1.6197% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.07 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 2995 (1.53, 2.27, 34.07 ppm):
    10 chemical-shift based assignments, quality = 0.432, support = 0.0199, residual support = 0.0199:
          QG    LYS+  81 - QG    GLN   90   6.69 +/- 2.78  77.599% *  3.4351% (0.18   0.02   0.02) =  56.301%  kept
          HB3   LYS+ 111 - QG    GLN   90  14.35 +/- 2.50   7.297% * 17.3580% (0.90   0.02   0.02) =  26.751%  kept
          HG2   LYS+ 106 - QG    GLN   90  13.17 +/- 2.40  11.351% *  2.6782% (0.14   0.02   0.02) =   6.421%  kept
          HD3   LYS+  74 - QG    GLN   90  13.31 +/- 1.68   1.554% * 17.3194% (0.89   0.02   0.02) =   5.685%  kept
          HB3   LYS+ 121 - QG    GLN   90  20.57 +/- 2.59   0.514% * 17.0143% (0.88   0.02   0.02) =   1.847%  kept
          HG    LEU  104 - QG    GLN   90  19.22 +/- 1.62   0.483% * 17.0143% (0.88   0.02   0.02) =   1.734%  kept
          HD2   LYS+ 121 - QG    GLN   90  19.63 +/- 2.66   0.839% *  3.8645% (0.20   0.02   0.02) =   0.685%  kept
          QD    LYS+  66 - QG    GLN   90  21.75 +/- 1.40   0.163% *  9.8273% (0.51   0.02   0.02) =   0.338%
          HG2   LYS+  33 - QG    GLN   90  21.98 +/- 1.25   0.095% *  8.4490% (0.44   0.02   0.02) =   0.170%
          HG2   LYS+  65 - QG    GLN   90  21.90 +/- 1.39   0.105% *  3.0399% (0.16   0.02   0.02) =   0.067%
    Distance limit 3.63 A violated in 16 structures by 2.50 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 = 62.2:
      O   HG3   MET   92 - HB2   MET   92   2.64 +/- 0.24  99.865% * 96.5136% (0.73  10.0  1.00   2.96  62.19) =  99.999%  kept
        T QG    GLN   90 - HB2   MET   92   8.65 +/- 0.82   0.110% *  1.0643% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP- 105 - HB2   MET   92  15.96 +/- 1.02   0.003% *  0.4534% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   MET   92  12.76 +/- 0.78   0.009% *  0.0806% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   MET   92  15.07 +/- 1.05   0.004% *  0.1326% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   MET   92  14.24 +/- 2.17   0.008% *  0.0233% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   MET   92  23.91 +/- 1.42   0.000% *  0.6469% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   MET   92  25.63 +/- 1.72   0.000% *  0.8598% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   MET   92  18.42 +/- 1.47   0.001% *  0.0965% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  25.76 +/- 1.30   0.000% *  0.1110% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  28.05 +/- 0.91   0.000% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2997 (8.47, 1.89, 34.43 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.65, residual support = 62.2:
      O   HN    MET   92 - HB2   MET   92   2.96 +/- 0.54  99.478% * 99.7272% (0.92  10.0   3.65  62.19) = 100.000%  kept
          HN    THR   46 - HB2   MET   92   9.54 +/- 1.27   0.366% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   MET   92  11.20 +/- 1.60   0.151% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   MET   92  16.85 +/- 1.29   0.005% *  0.0865% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   MET   92  39.00 +/- 2.51   0.000% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 62.2:
      O T HA    MET   92 - HB2   MET   92   2.83 +/- 0.25  99.999% * 99.8006% (0.61  10.0 10.00   3.87  62.19) = 100.000%  kept
          HA    HIS  122 - HB2   MET   92  22.52 +/- 1.26   0.000% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB2   MET   92  21.20 +/- 0.52   0.001% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.29, residual support = 62.2:
      O   HG3   MET   92 - HB3   MET   92   2.72 +/- 0.29  99.845% * 99.2141% (0.73  10.0   3.29  62.19) = 100.000%  kept
          QG    GLN   90 - HB3   MET   92   9.15 +/- 0.69   0.112% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   MET   92  11.64 +/- 0.82   0.019% *  0.0829% (0.61   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   MET   92  13.74 +/- 0.96   0.008% *  0.1363% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  14.85 +/- 1.21   0.006% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   MET   92  17.19 +/- 1.44   0.002% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   92  14.05 +/- 2.08   0.008% *  0.0239% (0.18   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  22.82 +/- 1.37   0.000% *  0.0665% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  25.20 +/- 1.01   0.000% *  0.1141% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  24.67 +/- 1.66   0.000% *  0.0884% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  27.07 +/- 0.98   0.000% *  0.0185% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3000 (4.89, 1.69, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.22, residual support = 62.2:
      O T HA    MET   92 - HB3   MET   92   2.87 +/- 0.08  99.998% * 99.8006% (0.61  10.0 10.00   4.22  62.19) = 100.000%  kept
          HA    HIS  122 - HB3   MET   92  21.21 +/- 1.28   0.001% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB3   MET   92  20.17 +/- 0.38   0.001% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3001 (4.89, 2.31, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 62.2:
      O T HA    MET   92 - HG2   MET   92   2.63 +/- 0.34  99.999% * 99.8006% (0.61  10.0 10.00   2.49  62.19) = 100.000%  kept
          HA    HIS  122 - HG2   MET   92  22.95 +/- 1.43   0.000% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HG2   MET   92  21.88 +/- 0.63   0.000% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.296, support = 0.457, residual support = 2.99:
          HB2   SER   37 - QG2   THR   39   3.54 +/- 0.26  98.896% * 73.4779% (0.30   0.46   2.99) =  99.905%  kept
          HA1   GLY   16 - QG2   THR   39   8.90 +/- 1.53   1.009% *  6.4626% (0.60   0.02   0.02) =   0.090%
          HA    LYS+  66 - QG2   THR   39  12.22 +/- 1.01   0.074% *  4.9499% (0.46   0.02   0.02) =   0.005%
          HA1   GLY   16 - QG2   THR   23  18.13 +/- 0.52   0.006% *  3.6265% (0.33   0.02   0.02) =   0.000%
          HB2   SER   37 - QG2   THR   23  17.59 +/- 0.70   0.007% *  1.8008% (0.17   0.02   0.02) =   0.000%
          HA1   GLY   16 - QB    ALA   91  21.76 +/- 1.49   0.002% *  3.0518% (0.28   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    ALA   91  21.38 +/- 1.90   0.003% *  2.3374% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG2   THR   23  22.52 +/- 0.84   0.002% *  2.7776% (0.26   0.02   0.02) =   0.000%
          HB2   SER   37 - QB    ALA   91  25.17 +/- 1.10   0.001% *  1.5155% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.27 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.0, residual support = 62.2:
      O   HN    MET   92 - HB3   MET   92   3.77 +/- 0.33  99.197% * 99.8535% (0.92  10.0   4.00  62.19) =  99.999%  kept
          HN    THR   46 - HB3   MET   92   8.92 +/- 1.29   0.664% *  0.0827% (0.76   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HB3   MET   92  12.35 +/- 1.43   0.122% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   MET   92  15.96 +/- 1.22   0.018% *  0.0369% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3004 (4.43, 1.69, 34.43 ppm):
    10 chemical-shift based assignments, quality = 0.736, support = 0.0199, residual support = 0.0199:
          HA    THR   46 - HB3   MET   92   6.87 +/- 1.44  67.054% * 16.4223% (0.80   0.02   0.02) =  88.065%  kept
          HA    GLN   90 - HB3   MET   92   8.53 +/- 0.24  23.955% *  3.5917% (0.18   0.02   0.02) =   6.881%  kept
          HA    PHE   55 - HB3   MET   92  10.46 +/- 0.95   7.394% *  6.3300% (0.31   0.02   0.02) =   3.743%  kept
          HA    VAL   42 - HB3   MET   92  16.19 +/- 0.49   0.520% * 18.3930% (0.90   0.02   0.02) =   0.765%  kept
          HA    PRO   58 - HB3   MET   92  14.51 +/- 1.32   0.853% *  5.1139% (0.25   0.02   0.02) =   0.349%
          HA    GLN   17 - HB3   MET   92  20.45 +/- 1.42   0.103% * 17.7900% (0.87   0.02   0.02) =   0.146%
          HA    GLU-  15 - HB3   MET   92  24.33 +/- 1.15   0.037% *  5.7022% (0.28   0.02   0.02) =   0.017%
          HA    LEU   40 - HB3   MET   92  22.82 +/- 0.55   0.066% *  3.1644% (0.15   0.02   0.02) =   0.017%
          HA    SER   37 - HB3   MET   92  30.92 +/- 0.47   0.010% * 17.7900% (0.87   0.02   0.02) =   0.014%
          HA    SER   13 - HB3   MET   92  30.91 +/- 1.51   0.009% *  5.7022% (0.28   0.02   0.02) =   0.004%
    Distance limit 4.09 A violated in 16 structures by 2.23 A, eliminated.
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 62.2:
      O T HA    MET   92 - HG3   MET   92   2.97 +/- 0.67  99.979% * 99.9198% (0.99  10.0 10.00   3.97  62.19) = 100.000%  kept
          HA    LYS+  74 - HG3   MET   92  14.69 +/- 1.58   0.020% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HG3   MET   92  23.47 +/- 1.42   0.001% *  0.0311% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.74, residual support = 62.2:
          HN    MET   92 - HG3   MET   92   3.62 +/- 0.46  99.061% * 99.2221% (0.92   3.74  62.19) =  99.996%  kept
          HN    THR   46 - HG3   MET   92  10.11 +/- 1.66   0.860% *  0.4388% (0.76   0.02   0.02) =   0.004%
          HN    ASP- 113 - HG3   MET   92  13.42 +/- 2.02   0.063% *  0.1432% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   MET   92  17.51 +/- 1.65   0.016% *  0.1959% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.407, support = 0.0199, residual support = 0.0199:
          QD    PHE   45 - HB2   PRO   93   7.54 +/- 0.50  92.510% * 67.4545% (0.41   0.02   0.02) =  98.633%  kept
          HN    LYS+  65 - HB2   PRO   93  14.10 +/- 0.79   2.441% * 25.3164% (0.15   0.02   0.02) =   0.977%  kept
          QD    PHE   45 - HG3   GLN   30  12.78 +/- 0.67   4.477% *  5.2564% (0.03   0.02   0.02) =   0.372%
          HN    LYS+  65 - HG3   GLN   30  17.87 +/- 0.99   0.572% *  1.9728% (0.01   0.02   0.02) =   0.018%
    Distance limit 4.19 A violated in 20 structures by 3.31 A, eliminated.
    Peak unassigned.
 
    Peak 3008 (8.03, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.39, residual support = 15.6:
      O   HN    THR   94 - HB2   PRO   93   3.80 +/- 0.20  99.898% * 99.8806% (1.00  10.0   4.39  15.60) = 100.000%  kept
          HN    GLU-  79 - HB2   PRO   93  14.60 +/- 1.28   0.041% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   PRO   93  15.36 +/- 0.58   0.025% *  0.0309% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG3   GLN   30  15.94 +/- 0.78   0.019% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  18.13 +/- 0.60   0.009% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  18.28 +/- 0.81   0.009% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 0.407, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HG2   PRO   93   9.02 +/- 0.36  96.296% * 72.7108% (0.41   0.02   0.02) =  98.577%  kept
          HN    LYS+  65 - HG2   PRO   93  15.76 +/- 0.92   3.704% * 27.2892% (0.15   0.02   0.02) =   1.423%  kept
    Distance limit 4.03 A violated in 20 structures by 4.93 A, eliminated.
    Peak unassigned.
 
    Peak 3010 (2.05, 1.68, 24.81 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 5.3, residual support = 132.3:
      O   HB2   PRO   93 - HG3   PRO   93   2.55 +/- 0.25  99.806% * 98.6893% (0.84  10.0  1.00   5.30 132.30) = 100.000%  kept
          HB2   ARG+  54 - HG3   PRO   93   8.46 +/- 1.33   0.100% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   PRO   93   8.87 +/- 1.00   0.085% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   93  13.02 +/- 1.26   0.008% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   PRO   93  23.07 +/- 0.75   0.000% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   93  21.60 +/- 0.58   0.000% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  26.93 +/- 0.48   0.000% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  22.15 +/- 1.01   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  35.86 +/- 1.83   0.000% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3011 (1.82, 1.68, 24.81 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 132.3:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  99.608% * 96.9677% (0.99  10.0 10.00   3.97 132.30) = 100.000%  kept
          HB3   PRO   52 - HG3   PRO   93   5.14 +/- 1.01   0.391% *  0.0367% (0.38   1.0  1.00   0.02   1.02) =   0.000%
        T QB    LYS+  65 - HG3   PRO   93  15.16 +/- 0.90   0.000% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   PRO   93  19.76 +/- 0.80   0.000% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   PRO   93  18.10 +/- 1.24   0.000% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   PRO   93  20.87 +/- 0.66   0.000% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   93  15.30 +/- 1.14   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  17.94 +/- 0.95   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  19.63 +/- 0.99   0.000% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  20.43 +/- 1.01   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3012 (1.69, 1.81, 24.81 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.97, residual support = 132.3:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  99.423% * 97.0769% (0.95  10.0 10.00   3.97 132.30) =  99.999%  kept
          HB3   MET   92 - HG2   PRO   93   4.22 +/- 0.28   0.559% *  0.0947% (0.92   1.0  1.00   0.02   1.71) =   0.001%
        T HD2   LYS+ 111 - HG2   PRO   93   8.59 +/- 1.19   0.015% *  1.0059% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  11.10 +/- 0.83   0.002% *  0.0622% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   PRO   93  20.91 +/- 1.36   0.000% *  0.8217% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   PRO   93  16.93 +/- 0.96   0.000% *  0.2285% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   PRO   93  16.35 +/- 1.08   0.000% *  0.0822% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  18.32 +/- 1.26   0.000% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  14.78 +/- 1.57   0.000% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  26.13 +/- 1.13   0.000% *  0.4219% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  16.88 +/- 0.98   0.000% *  0.0285% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.16 +/- 1.01   0.000% *  0.0581% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3013 (3.33, 1.68, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 132.3:
      O   HD3   PRO   93 - HG3   PRO   93   2.33 +/- 0.13  94.327% * 99.5358% (0.97  10.0   3.97 132.30) =  99.994%  kept
          QB    PHE   55 - HG3   PRO   93   4.60 +/- 1.00   3.469% *  0.1029% (1.00   1.0   0.02   0.02) =   0.004%
          HB3   CYS   53 - HG3   PRO   93   5.26 +/- 1.59   2.090% *  0.0861% (0.84   1.0   0.02   0.02) =   0.002%
          HB2   PHE   59 - HG3   PRO   93   8.30 +/- 1.38   0.098% *  0.0952% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG3   PRO   93  10.19 +/- 1.30   0.017% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   PRO   93  20.30 +/- 1.59   0.000% *  0.1011% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3014 (3.59, 1.68, 24.81 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.97, residual support = 132.3:
      O   HD2   PRO   93 - HG3   PRO   93   2.84 +/- 0.12  99.984% * 99.4436% (0.25  10.0   3.97 132.30) = 100.000%  kept
          HA    THR   77 - HG3   PRO   93  12.93 +/- 1.14   0.014% *  0.3681% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG3   PRO   93  19.33 +/- 0.89   0.001% *  0.0994% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  23.01 +/- 0.61   0.000% *  0.0888% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3017 (6.89, 1.68, 24.81 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - HG3   PRO   93  15.58 +/- 0.94 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.08 A violated in 20 structures by 11.50 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 = 6.65:
          HN    ALA  110 - HD2   PRO   93   3.35 +/- 1.08  98.629% * 99.2026% (0.71   2.96   6.65) =  99.993%  kept
          HN    PHE   45 - HD2   PRO   93   8.54 +/- 0.26   1.258% *  0.5719% (0.61   0.02   0.02) =   0.007%
          HN    ASP-  44 - HD2   PRO   93  12.78 +/- 0.28   0.107% *  0.1056% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  25 - HD2   PRO   93  21.84 +/- 1.15   0.007% *  0.1199% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 2 structures by 0.18 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.381, support = 0.985, residual support = 0.983:
          HA1   GLY  109 - HD2   PRO   93   4.51 +/- 1.35  92.085% * 88.9772% (0.38   0.99   0.98) =  99.834%  kept
          HA    CYS   50 - HD2   PRO   93   8.31 +/- 1.00   7.214% *  1.6694% (0.35   0.02   0.02) =   0.147%
          HA    TRP   49 - HD2   PRO   93  12.12 +/- 1.26   0.596% *  2.3558% (0.50   0.02   0.02) =   0.017%
          HA    CYS   21 - HD2   PRO   93  20.78 +/- 0.61   0.026% *  2.9750% (0.63   0.02   0.02) =   0.001%
          HA    LYS+ 102 - HD2   PRO   93  21.84 +/- 0.49   0.017% *  3.4220% (0.72   0.02   0.02) =   0.001%
          HA    ALA   20 - HD2   PRO   93  18.32 +/- 0.79   0.061% *  0.6006% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 6 structures by 0.73 A, kept.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.687, support = 2.31, residual support = 6.65:
          QB    ALA  110 - HD2   PRO   93   3.33 +/- 1.23  92.549% * 93.8298% (0.69   2.31   6.65) =  99.986%  kept
          HB3   LEU  115 - HD2   PRO   93   8.59 +/- 1.62   7.174% *  0.1504% (0.13   0.02   0.02) =   0.012%
          QB    ALA   61 - HD2   PRO   93  12.61 +/- 0.64   0.073% *  0.8567% (0.72   0.02   0.02) =   0.001%
          HG    LEU   80 - HD2   PRO   93  16.35 +/- 1.38   0.036% *  0.8286% (0.70   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   PRO   93  15.97 +/- 1.60   0.042% *  0.4179% (0.35   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD2   PRO   93  16.78 +/- 2.01   0.040% *  0.2929% (0.25   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   PRO   93  17.34 +/- 1.14   0.016% *  0.6875% (0.58   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   PRO   93  15.38 +/- 0.74   0.037% *  0.2650% (0.22   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   PRO   93  17.69 +/- 0.66   0.014% *  0.5208% (0.44   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   PRO   93  19.89 +/- 1.48   0.006% *  0.8122% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   PRO   93  21.31 +/- 1.00   0.004% *  0.7700% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   PRO   93  24.14 +/- 1.36   0.002% *  0.4179% (0.35   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   PRO   93  20.15 +/- 0.76   0.006% *  0.1504% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 3 structures by 0.38 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.682, support = 1.09, residual support = 8.05:
          QB    ALA  110 - HD3   PRO   93   3.68 +/- 1.38  65.620% * 57.2001% (0.78   0.75   6.65) =  86.282%  kept
          HB3   LEU   67 - HD3   PRO   68   4.49 +/- 0.29  21.604% * 26.0670% (0.08   3.42  17.86) =  12.945%  kept
          QG    LYS+  66 - HD3   PRO   68   5.45 +/- 1.33  12.365% *  2.7036% (0.05   0.56   0.02) =   0.768%  kept
          QB    ALA   61 - HD3   PRO   93  12.00 +/- 0.66   0.044% *  1.1376% (0.58   0.02   0.02) =   0.001%
          QB    ALA   61 - HD3   PRO   68   9.97 +/- 0.79   0.153% *  0.2025% (0.10   0.02   0.02) =   0.001%
          HB2   LEU   80 - HD3   PRO   93  15.86 +/- 1.57   0.017% *  1.6634% (0.85   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HD3   PRO   93  14.76 +/- 0.82   0.017% *  1.4081% (0.72   0.02   0.02) =   0.001%
          HG    LEU   80 - HD3   PRO   93  16.09 +/- 1.41   0.012% *  1.4688% (0.75   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD3   PRO   93  17.84 +/- 2.12   0.008% *  1.4688% (0.75   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   68  13.27 +/- 1.72   0.038% *  0.2889% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD3   PRO   68  13.25 +/- 2.57   0.036% *  0.2614% (0.13   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   93  17.98 +/- 0.25   0.004% *  0.9252% (0.47   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD3   PRO   93  17.36 +/- 1.23   0.006% *  0.5427% (0.28   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   93  21.02 +/- 0.95   0.002% *  1.6233% (0.83   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   68  14.33 +/- 1.06   0.018% *  0.1647% (0.08   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD3   PRO   93  20.09 +/- 1.47   0.002% *  0.8559% (0.44   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   PRO   68  16.97 +/- 1.31   0.007% *  0.2506% (0.13   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   68  15.66 +/- 2.06   0.019% *  0.0870% (0.04   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   93  17.74 +/- 0.64   0.005% *  0.3080% (0.16   0.02   0.02) =   0.000%
          QB    ALA  110 - HD3   PRO   68  18.02 +/- 1.87   0.004% *  0.2715% (0.14   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   68  14.29 +/- 1.00   0.018% *  0.0548% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   PRO   68  24.41 +/- 1.30   0.001% *  0.2960% (0.15   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   93  27.78 +/- 1.30   0.000% *  0.4889% (0.25   0.02   0.02) =   0.000%
          HG    LEU   80 - HD3   PRO   68  23.84 +/- 1.35   0.001% *  0.2614% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 2.0, residual support = 5.5:
          QG2   ILE   89 - HB    THR   94   2.60 +/- 0.59 100.000% *100.0000% (0.28   2.00   5.50) = 100.000%  kept
    Distance limit 3.24 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.771, support = 2.0, residual support = 5.5:
          QD1   ILE   89 - HB    THR   94   2.25 +/- 0.46  99.755% * 98.9959% (0.77   2.00   5.50) =  99.998%  kept
          QG2   VAL   83 - HB    THR   94   7.52 +/- 0.70   0.236% *  0.7366% (0.57   0.02   0.02) =   0.002%
          QD2   LEU   31 - HB    THR   94  11.67 +/- 0.34   0.009% *  0.2674% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.1:
        T HB2   PHE   45 - HB    THR   94   2.30 +/- 0.33  99.990% * 99.8423% (0.81 10.00   2.96  27.13) = 100.000%  kept
          QE    LYS+ 111 - HB    THR   94  12.54 +/- 0.79   0.006% *  0.1032% (0.83  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB    THR   94  13.33 +/- 0.64   0.004% *  0.0544% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 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  12.23 +/- 0.52 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.90 A violated in 20 structures by 9.33 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   2.76 +/- 0.24  99.921% * 99.8964% (0.83  10.0   3.08  25.25) = 100.000%  kept
          HN    SER   85 - HB    THR   94   9.91 +/- 0.49   0.056% *  0.0309% (0.26   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB    THR   94  11.62 +/- 0.71   0.023% *  0.0727% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 27.1:
          HN    PHE   45 - HB    THR   94   3.57 +/- 0.42  98.565% * 99.4994% (0.81   3.30  27.13) =  99.993%  kept
          HN    ALA  110 - HB    THR   94   8.05 +/- 1.13   1.435% *  0.5006% (0.67   0.02   0.02) =   0.007%
    Distance limit 4.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3028 (5.61, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   THR   94   5.44 +/- 0.32 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.39 A violated in 20 structures by 2.04 A, eliminated.
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.12, residual support = 14.3:
          HN    PHE   95 - QG2   THR   94   2.76 +/- 0.32 100.000% *100.0000% (0.97   4.12  14.33) = 100.000%  kept
    Distance limit 3.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3031 (4.33, 5.96, 55.53 ppm):
    6 chemical-shift based assignments, quality = 0.694, support = 0.02, residual support = 0.02:
          HA    TRP   87 - HA    PHE   95  10.36 +/- 0.78  45.550% * 25.3593% (0.76   0.02   0.02) =  59.018%  kept
          HA    LEU  104 - HA    PHE   95  12.32 +/- 0.24  16.087% * 27.7167% (0.84   0.02   0.02) =  22.782%  kept
          HA    PHE   59 - HA    PHE   95  11.19 +/- 0.74  29.520% *  8.2742% (0.25   0.02   0.02) =  12.480%  kept
          HA    ASP-  86 - HA    PHE   95  13.86 +/- 0.62   7.822% * 12.4539% (0.38   0.02   0.02) =   4.977%  kept
          HA    GLU-  14 - HA    PHE   95  20.39 +/- 1.13   0.841% * 14.8769% (0.45   0.02   0.02) =   0.639%  kept
          HA    ALA   12 - HA    PHE   95  26.49 +/- 1.65   0.180% * 11.3190% (0.34   0.02   0.02) =   0.104%
    Distance limit 3.43 A violated in 20 structures by 5.60 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   2.71 +/- 0.46  99.960% * 99.8140% (0.87   3.44  73.51) = 100.000%  kept
          HN    ALA   47 - HA    PHE   95  10.53 +/- 0.43   0.040% *  0.1860% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.57 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   2.21 +/- 0.02  99.993% * 99.9753% (0.80  10.0   4.00  11.99) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  10.85 +/- 0.48   0.007% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.77 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  10.0   4.33  73.51) = 100.000%  kept
    Distance limit 3.67 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   2.45 +/- 0.15  99.990% * 99.9680% (0.87  10.0   3.00  73.51) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  11.42 +/- 0.62   0.010% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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   2.47 +/- 0.17  99.991% * 99.9680% (0.87  10.0   3.31  73.51) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  12.12 +/- 0.70   0.009% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.36 +/- 0.41 100.000% *100.0000% (0.53  10.0   4.19  73.51) = 100.000%  kept
    Distance limit 3.71 A violated in 0 structures by 0.01 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   2.51 +/- 0.25 100.000% *100.0000% (0.53  10.0   3.86  73.51) = 100.000%  kept
    Distance limit 3.45 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 = 0.835, support = 1.73, residual support = 45.4:
          QG2   VAL  107 - HB3   PHE   95   4.15 +/- 0.86  93.153% * 95.9677% (0.84   1.73  45.47) =  99.955%  kept
          HG13  ILE  119 - HB3   PHE   95   7.99 +/- 1.79   3.950% *  0.5455% (0.41   0.02   0.02) =   0.024%
          HG13  ILE  103 - HB3   PHE   95   8.78 +/- 0.69   2.273% *  0.4980% (0.38   0.02   0.02) =   0.013%
          HG2   LYS+ 121 - HB3   PHE   95  11.52 +/- 1.22   0.415% *  1.3007% (0.98   0.02   0.02) =   0.006%
          QB    ALA   20 - HB3   PHE   95  14.11 +/- 0.85   0.133% *  1.1900% (0.90   0.02   0.02) =   0.002%
          HB3   LEU   31 - HB3   PHE   95  15.71 +/- 0.87   0.075% *  0.4980% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 5 structures by 0.47 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.57, support = 1.63, residual support = 4.29:
          QD1   LEU   63 - HB3   PHE   95   4.28 +/- 1.36  83.207% * 86.9226% (0.57   1.65   4.34) =  98.721%  kept
          QD2   LEU  115 - HB3   PHE   95   7.85 +/- 1.92  13.210% *  6.8096% (0.90   0.08   0.14) =   1.228%  kept
          QD1   LEU  104 - HB3   PHE   95   9.33 +/- 0.91   1.243% *  1.8600% (1.00   0.02   0.02) =   0.032%
          QD1   LEU   73 - HB3   PHE   95   9.76 +/- 0.86   0.567% *  1.0531% (0.57   0.02   0.02) =   0.008%
          QG2   ILE   89 - HB3   PHE   95   8.33 +/- 0.54   1.525% *  0.2870% (0.15   0.02   0.02) =   0.006%
          QD2   LEU   80 - HB3   PHE   95  12.01 +/- 0.80   0.164% *  1.7170% (0.92   0.02   0.02) =   0.004%
          QG1   VAL   83 - HB3   PHE   95  13.49 +/- 0.99   0.085% *  1.3507% (0.73   0.02   0.02) =   0.002%
    Distance limit 3.60 A violated in 4 structures by 0.44 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.643, support = 0.744, residual support = 1.4:
          QG1   VAL   42 - HB3   PHE   95   4.92 +/- 0.98  93.803% * 60.9092% (0.65   0.75   1.43) =  96.996%  kept
          QB    ALA   64 - HB3   PHE   95   8.60 +/- 0.85   4.801% * 36.3971% (0.53   0.55   0.14) =   2.967%  kept
          QB    ALA   47 - HB3   PHE   95  11.28 +/- 0.56   1.009% *  1.9188% (0.76   0.02   0.02) =   0.033%
          HG2   LYS+ 112 - HB3   PHE   95  13.76 +/- 1.73   0.387% *  0.7749% (0.31   0.02   0.02) =   0.005%
    Distance limit 3.61 A violated in 12 structures by 1.29 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.59, residual support = 45.5:
          QG2   VAL  107 - HB2   PHE   95   3.16 +/- 0.87  98.672% * 94.2595% (0.34   3.59  45.47) =  99.982%  kept
          HG13  ILE  119 - HB2   PHE   95   8.00 +/- 1.36   0.951% *  1.3804% (0.90   0.02   0.02) =   0.014%
          HG2   LYS+ 121 - HB2   PHE   95  11.95 +/- 1.48   0.236% *  0.8714% (0.57   0.02   0.02) =   0.002%
          QB    ALA   20 - HB2   PHE   95  14.52 +/- 0.53   0.033% *  1.4209% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PHE   95  16.74 +/- 0.98   0.023% *  1.3352% (0.87   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PHE   95  13.39 +/- 1.42   0.056% *  0.4280% (0.28   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB2   PHE   95  14.48 +/- 1.76   0.029% *  0.3046% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 2 structures by 0.17 A, kept.
 
    Peak 3043 (2.40, 3.20, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.3, residual support = 45.5:
        T HB    VAL  107 - HB2   PHE   95   2.50 +/- 0.77  99.678% * 99.6841% (0.80 10.00   4.30  45.47) = 100.000%  kept
          HB3   PHE   45 - HB2   PHE   95   8.85 +/- 0.41   0.267% *  0.0467% (0.38  1.00   0.02   1.89) =   0.000%
          QE    LYS+ 112 - HB2   PHE   95  11.61 +/- 1.65   0.043% *  0.0467% (0.38  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   95  17.24 +/- 0.88   0.004% *  0.0855% (0.69  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   95  20.23 +/- 0.91   0.002% *  0.1178% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  18.39 +/- 0.82   0.004% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 2 structures by 0.15 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 0.75, residual support = 5.5:
          QD1   ILE   89 - QG2   THR   94   1.75 +/- 0.15  99.941% * 97.3666% (0.92   0.75   5.50) =  99.999%  kept
          QG2   VAL   83 - QG2   THR   94   6.42 +/- 0.69   0.054% *  1.9321% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   31 - QG2   THR   94   9.62 +/- 0.63   0.004% *  0.7014% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 1.08, residual support = 2.15:
        T HA    LYS+ 106 - HA    MET   96   3.02 +/- 0.46 100.000% *100.0000% (0.97 10.00   1.08   2.15) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 45.7:
      O   HN    PHE   97 - HA    MET   96   2.22 +/- 0.03  99.995% * 99.8692% (0.88  10.0   6.07  45.69) = 100.000%  kept
          HN    LEU  115 - HA    MET   96  12.38 +/- 0.95   0.004% *  0.0999% (0.88   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    MET   96  15.70 +/- 0.76   0.001% *  0.0310% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 2.75 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   2.91 +/- 0.01 100.000% *100.0000% (0.63  10.0   4.09 115.54) = 100.000%  kept
    Distance limit 3.64 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 = 1.96, residual support = 9.65:
        T QE    PHE   45 - HB2   MET   96   4.13 +/- 0.95  96.793% * 98.2819% (0.49 10.00   1.96   9.65) =  99.980%  kept
        T HZ    PHE   72 - HB2   MET   96  11.33 +/- 1.99   1.037% *  1.5764% (0.76 10.00   0.02   0.02) =   0.017%
          QD    PHE   72 - HB2   MET   96   9.29 +/- 1.02   2.170% *  0.1417% (0.69  1.00   0.02   0.02) =   0.003%
    Distance limit 3.70 A violated in 4 structures by 0.55 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 45.7:
          HN    PHE   97 - HB2   MET   96   4.02 +/- 0.12  99.901% * 99.4519% (0.92   6.07  45.69) = 100.000%  kept
          HN    LEU  115 - HB2   MET   96  14.96 +/- 0.90   0.040% *  0.3274% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   MET   96  14.05 +/- 0.73   0.057% *  0.0480% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   MET   96  26.65 +/- 1.89   0.001% *  0.1727% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.18 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   2.87 +/- 0.19 100.000% *100.0000% (0.65  10.0   4.06 115.54) = 100.000%  kept
    Distance limit 3.62 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 = 0.691, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  12.06 +/- 2.24  25.981% * 81.6578% (0.99   0.02   0.02) =  60.977%  kept
          QD    PHE   72 - HB3   MET   96   9.94 +/- 1.18  74.019% * 18.3422% (0.22   0.02   0.02) =  39.023%  kept
    Distance limit 3.56 A violated in 20 structures by 5.90 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   2.53 +/- 0.14 100.000% *100.0000% (0.65  10.0   3.97 115.54) = 100.000%  kept
    Distance limit 3.55 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   2.85 +/- 0.74  98.454% * 94.5898% (0.73   2.00  16.41) =  99.987%  kept
          QG1   VAL   41 - HB2   MET   96   7.18 +/- 0.61   1.129% *  0.6853% (0.53   0.02   0.02) =   0.008%
          QD2   LEU  104 - HB2   MET   96   8.97 +/- 0.70   0.251% *  1.0431% (0.80   0.02   0.02) =   0.003%
          QG2   VAL   18 - HB2   MET   96  10.73 +/- 0.91   0.075% *  1.2025% (0.92   0.02   0.02) =   0.001%
          QG2   THR   46 - HB2   MET   96  11.12 +/- 0.75   0.059% *  1.2768% (0.98   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB2   MET   96  12.49 +/- 0.75   0.032% *  1.2025% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3054 (0.08, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.79, support = 0.02, residual support = 1.28:
          QD1   ILE   89 - HB2   MET   96   5.74 +/- 0.72  63.618% * 27.1168% (0.69   0.02   2.25) =  56.544%  kept
          QD2   LEU   31 - HB2   MET   96   7.01 +/- 0.60  24.118% * 36.4416% (0.92   0.02   0.02) =  28.808%  kept
          QG2   VAL   83 - HB2   MET   96   7.67 +/- 0.86  12.263% * 36.4416% (0.92   0.02   0.02) =  14.648%  kept
    Distance limit 3.81 A violated in 20 structures by 1.44 A, eliminated.
    Peak unassigned.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 0.75, residual support = 2.25:
        T QD1   ILE   89 - HB3   MET   96   4.48 +/- 0.66  93.273% * 99.8407% (0.69 10.00   0.75   2.25) =  99.988%  kept
          QG2   VAL   83 - HB3   MET   96   7.30 +/- 0.78   6.727% *  0.1593% (0.41  1.00   0.02   0.02) =   0.012%
    Distance limit 3.80 A violated in 6 structures by 0.68 A, kept.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.6, residual support = 45.7:
          HN    PHE   97 - HG2   MET   96   3.47 +/- 0.54  99.769% * 99.1286% (0.92   5.60  45.69) = 100.000%  kept
          HN    LEU  115 - HB2   PRO   52  11.05 +/- 1.24   0.174% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    LEU  115 - HG2   MET   96  14.68 +/- 1.11   0.023% *  0.3543% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   96  15.17 +/- 0.96   0.024% *  0.0519% (0.14   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   PRO   52  17.30 +/- 1.31   0.009% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    ALA   12 - HG2   MET   96  28.70 +/- 1.84   0.001% *  0.1868% (0.49   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   PRO   52  36.03 +/- 1.86   0.000% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  29.94 +/- 1.18   0.000% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 6.05, residual support = 45.7:
          HN    PHE   97 - HG3   MET   96   3.51 +/- 0.55  99.968% * 99.5687% (0.54   6.05  45.69) = 100.000%  kept
          HN    LEU  115 - HG3   MET   96  14.87 +/- 1.22   0.025% *  0.3292% (0.54   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG3   MET   96  18.08 +/- 1.17   0.007% *  0.1021% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.359, support = 2.29, residual support = 8.09:
          HG13  ILE  103 - HG2   MET   96   3.24 +/- 0.83  89.323% * 36.8349% (0.25   2.51   9.18) =  85.212%  kept
          QG2   THR   94 - HG2   MET   96   5.48 +/- 0.56   9.760% * 58.4754% (0.99   1.00   1.80) =  14.781%  kept
          HD2   LYS+ 112 - HB2   PRO   52  10.72 +/- 1.58   0.263% *  0.2995% (0.25   0.02   0.02) =   0.002%
          QG2   THR   94 - HB2   PRO   52   9.37 +/- 1.23   0.229% *  0.3422% (0.29   0.02   0.02) =   0.002%
          HB3   LYS+ 112 - HB2   PRO   52  11.04 +/- 1.48   0.117% *  0.3384% (0.29   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG2   MET   96  12.42 +/- 1.30   0.035% *  0.9411% (0.80   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HB2   PRO   52   9.21 +/- 1.24   0.250% *  0.0533% (0.05   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG2   MET   96  20.42 +/- 1.43   0.003% *  1.0194% (0.87   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG2   MET   96  19.52 +/- 1.11   0.002% *  1.1520% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG2   MET   96  15.71 +/- 1.73   0.014% *  0.1813% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   PRO   52  23.06 +/- 1.92   0.001% *  0.2764% (0.24   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB2   PRO   52  19.56 +/- 1.26   0.002% *  0.0861% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.756, support = 2.64, residual support = 9.18:
          QG2   ILE  103 - HG2   MET   96   4.23 +/- 0.91  28.852% * 70.8881% (1.00   2.97   9.18) =  52.642%  kept
          QD1   ILE  103 - HG2   MET   96   3.34 +/- 0.88  69.912% * 26.3121% (0.49   2.26   9.18) =  47.348%  kept
          QD2   LEU   40 - HG2   MET   96   7.83 +/- 0.66   0.595% *  0.4519% (0.95   0.02   0.02) =   0.007%
          HB    VAL   75 - HG2   MET   96  10.68 +/- 1.11   0.308% *  0.1793% (0.38   0.02   0.02) =   0.001%
          QD1   LEU   67 - HG2   MET   96  11.48 +/- 2.04   0.085% *  0.4610% (0.97   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG2   MET   96  12.37 +/- 1.24   0.058% *  0.2898% (0.61   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   MET   96  13.14 +/- 1.53   0.067% *  0.1475% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG2   MET   96  15.20 +/- 0.69   0.021% *  0.4735% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PRO   52  14.65 +/- 1.20   0.020% *  0.1391% (0.29   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PRO   52  14.66 +/- 1.45   0.024% *  0.0527% (0.11   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   PRO   52  14.22 +/- 1.05   0.029% *  0.0433% (0.09   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   PRO   52  16.68 +/- 0.98   0.008% *  0.1400% (0.29   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB2   PRO   52  17.51 +/- 1.99   0.006% *  0.1354% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB2   PRO   52  19.37 +/- 0.94   0.005% *  0.1328% (0.28   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   PRO   52  16.92 +/- 1.33   0.007% *  0.0683% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   PRO   52  20.21 +/- 1.95   0.003% *  0.0851% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 1 structures by 0.09 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.235, support = 0.428, residual support = 0.496:
          HG    LEU   98 - HG3   MET   96   4.31 +/- 1.23  54.560% * 10.1069% (0.25   0.24   0.40) =  58.417%  kept
          QB    LEU   98 - HG3   MET   96   5.19 +/- 0.79  16.969% * 18.9688% (0.14   0.82   0.40) =  34.100%  kept
          HG3   LYS+ 106 - HG3   MET   96   5.28 +/- 0.98  26.692% *  2.0685% (0.61   0.02   2.15) =   5.849%  kept
          HG3   LYS+ 102 - HG3   MET   96  10.75 +/- 1.31   0.243% * 55.1456% (0.59   0.55   0.02) =   1.421%  kept
          HB    VAL   42 - HG3   MET   96   8.92 +/- 0.57   0.544% *  1.8593% (0.54   0.02   0.02) =   0.107%
          HB3   LEU   73 - HG3   MET   96  10.90 +/- 1.20   0.180% *  1.9611% (0.57   0.02   0.02) =   0.037%
          QB    ALA   84 - HG3   MET   96  10.78 +/- 0.73   0.271% *  1.0907% (0.32   0.02   0.02) =   0.031%
          HB3   ASP-  44 - HG3   MET   96   9.83 +/- 0.62   0.391% *  0.4103% (0.12   0.02   0.02) =   0.017%
          HB3   PRO   93 - HG3   MET   96  12.75 +/- 0.86   0.112% *  1.1737% (0.34   0.02   0.02) =   0.014%
          HG3   LYS+  33 - HG3   MET   96  16.61 +/- 0.94   0.015% *  1.7316% (0.51   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HG3   MET   96  19.69 +/- 1.18   0.008% *  2.0548% (0.60   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HG3   MET   96  19.78 +/- 1.07   0.005% *  1.8593% (0.54   0.02   0.02) =   0.001%
          QB    ALA  124 - HG3   MET   96  18.33 +/- 1.06   0.009% *  0.6399% (0.19   0.02   0.02) =   0.001%
          QB    ALA   12 - HG3   MET   96  23.29 +/- 1.75   0.002% *  0.9295% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 2 structures by 0.16 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3061 (1.19, 2.47, 32.67 ppm):
    6 chemical-shift based assignments, quality = 0.219, support = 2.19, residual support = 8.06:
          HG13  ILE  103 - HG3   MET   96   3.16 +/- 0.77  90.298% * 33.1278% (0.15  1.00   2.40   9.18) =  84.916%  kept
          QG2   THR   94 - HG3   MET   96   5.64 +/- 0.68   9.634% * 55.1463% (0.60  1.00   1.01   1.80) =  15.082%  kept
          HB3   LEU   71 - HG3   MET   96  12.23 +/- 1.17   0.041% *  0.8850% (0.49  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 112 - HG3   MET   96  20.62 +/- 1.46   0.003% *  9.5870% (0.53 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HG3   MET   96  15.91 +/- 1.98   0.021% *  0.1705% (0.09  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG3   MET   96  19.72 +/- 1.15   0.003% *  1.0833% (0.59  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.449, support = 2.45, residual support = 9.18:
          QD1   ILE  103 - HG3   MET   96   3.20 +/- 0.96  76.882% * 22.1255% (0.30   1.84   9.18) =  50.456%  kept
          QG2   ILE  103 - HG3   MET   96   4.29 +/- 0.73  22.030% * 75.7986% (0.61   3.07   9.18) =  49.531%  kept
          QD2   LEU   40 - HG3   MET   96   7.66 +/- 0.73   0.747% *  0.4684% (0.57   0.02   0.02) =   0.010%
          QD1   LEU   67 - HG3   MET   96  11.50 +/- 2.11   0.103% *  0.4778% (0.59   0.02   0.02) =   0.001%
          HB    VAL   75 - HG3   MET   96  10.66 +/- 0.63   0.121% *  0.1858% (0.23   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG3   MET   96  12.19 +/- 1.11   0.059% *  0.3003% (0.37   0.02   0.02) =   0.001%
          QG2   ILE  119 - HG3   MET   96  13.24 +/- 1.44   0.045% *  0.1528% (0.19   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG3   MET   96  15.28 +/- 0.66   0.013% *  0.4907% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3063 (9.70, 5.36, 56.63 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.46, residual support = 11.0:
      O   HN    LEU   98 - HA    PHE   97   2.20 +/- 0.00 100.000% *100.0000% (0.80  10.0   3.46  11.00) = 100.000%  kept
    Distance limit 2.67 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 +/- 0.01  99.989% * 99.8692% (0.90  10.0   4.73  62.60) = 100.000%  kept
          HN    LEU  115 - HA    PHE   97  14.25 +/- 1.08   0.008% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    PHE   97  17.80 +/- 0.92   0.002% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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   2.40 +/- 0.11  99.987% * 99.9164% (0.45  10.0 10.00   2.44  62.60) = 100.000%  kept
          HZ3   TRP   87 - HB2   PHE   97  11.13 +/- 1.09   0.013% *  0.0836% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3066 (7.80, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 7.68, residual support = 59.7:
          HN    ASP- 105 - HB2   PHE   97   2.03 +/- 0.19  99.999% * 99.8968% (0.95   7.68  59.70) = 100.000%  kept
          HN    ALA   88 - HB2   PHE   97  15.46 +/- 0.72   0.001% *  0.1032% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.39 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   2.38 +/- 0.18  99.992% * 99.8692% (0.90  10.0   4.84  62.60) = 100.000%  kept
          HN    LEU  115 - HB2   PHE   97  12.43 +/- 1.08   0.006% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB2   PHE   97  15.85 +/- 0.90   0.001% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.99, support = 3.75, residual support = 59.7:
        T HB3   ASP- 105 - HB2   PHE   97   2.87 +/- 0.49  90.297% * 98.4773% (0.99 10.00   3.76  59.70) =  99.932%  kept
        T QB    LYS+ 106 - HB2   PHE   97   4.77 +/- 0.34   7.539% *  0.7956% (0.80 10.00   0.02  10.43) =   0.067%
          HB    ILE  103 - HB2   PHE   97   6.98 +/- 0.42   0.579% *  0.0994% (1.00  1.00   0.02   1.27) =   0.001%
          HG12  ILE  103 - HB2   PHE   97   6.00 +/- 0.74   1.536% *  0.0197% (0.20  1.00   0.02   1.27) =   0.000%
          HG3   PRO   68 - HB2   PHE   97  14.35 +/- 2.26   0.018% *  0.0991% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PHE   97  13.85 +/- 1.27   0.011% *  0.0408% (0.41  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PHE   97  16.01 +/- 0.41   0.004% *  0.0940% (0.95  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   PHE   97  14.81 +/- 1.01   0.007% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PHE   97  18.39 +/- 0.87   0.002% *  0.0891% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  15.46 +/- 0.81   0.004% *  0.0248% (0.25  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   PHE   97  20.16 +/- 0.53   0.001% *  0.0830% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PHE   97  22.19 +/- 1.13   0.001% *  0.0991% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  19.47 +/- 0.95   0.001% *  0.0408% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.307, support = 4.63, residual support = 17.4:
        T HB2   LEU  104 - HB2   PHE   97   3.47 +/- 0.23  66.315% * 84.0004% (0.31 10.00   4.72  18.22) =  95.470%  kept
          QG2   ILE  103 - HB2   PHE   97   4.23 +/- 0.40  21.729% *  9.8444% (0.25  1.00   2.90   1.27) =   3.666%  kept
          QD2   LEU   40 - HB2   PHE   97   5.22 +/- 0.78   9.041% *  5.5384% (0.38  1.00   1.08   0.73) =   0.858%  kept
          QD1   LEU   67 - HB2   PHE   97   8.15 +/- 2.75   1.692% *  0.0928% (0.34  1.00   0.02   0.02) =   0.003%
          QD1   ILE  119 - HB2   PHE   97   9.33 +/- 1.83   0.738% *  0.1651% (0.61  1.00   0.02   0.40) =   0.002%
          QG2   VAL  108 - HB2   PHE   97   8.06 +/- 0.27   0.460% *  0.0539% (0.20  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PHE   97  13.90 +/- 0.85   0.018% *  0.2574% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PHE   97  16.40 +/- 0.89   0.007% *  0.0477% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.327, support = 1.84, residual support = 8.18:
        T QD2   LEU   40 - HB3   PHE   97   3.93 +/- 0.85  30.096% * 65.6631% (0.36 10.00   0.75   0.73) =  56.541%  kept
          HB2   LEU  104 - HB3   PHE   97   3.17 +/- 0.47  62.681% * 23.7253% (0.29  1.00   3.30  18.22) =  42.548%  kept
          QG2   ILE  103 - HB3   PHE   97   5.17 +/- 0.64   3.257% *  9.5541% (0.24  1.00   1.64   1.27) =   0.890%  kept
          QD1   LEU   67 - HB3   PHE   97   7.24 +/- 2.80   3.018% *  0.1591% (0.32  1.00   0.02   0.02) =   0.014%
          QD1   ILE  119 - HB3   PHE   97   9.54 +/- 1.95   0.842% *  0.2830% (0.57  1.00   0.02   0.40) =   0.007%
          QG2   VAL  108 - HB3   PHE   97   9.38 +/- 0.31   0.093% *  0.0923% (0.19  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB3   PHE   97  14.24 +/- 0.83   0.008% *  0.4413% (0.89  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   PHE   97  16.39 +/- 1.09   0.004% *  0.0817% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 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   2.48 +/- 0.12  99.989% * 99.8821% (0.87  10.0 10.00   2.74  62.60) = 100.000%  kept
          HZ3   TRP   87 - HB3   PHE   97  11.82 +/- 1.07   0.011% *  0.0939% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB3   PHE   97  25.46 +/- 1.75   0.000% *  0.0241% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3072 (7.82, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.46, support = 5.51, residual support = 59.7:
          HN    ASP- 105 - HB3   PHE   97   3.02 +/- 0.43  99.993% * 99.0814% (0.46   5.51  59.70) = 100.000%  kept
          HN    ALA   88 - HB3   PHE   97  16.62 +/- 0.71   0.005% *  0.6412% (0.82   0.02   0.02) =   0.000%
          HN    PHE   55 - HB3   PHE   97  19.96 +/- 0.96   0.002% *  0.2774% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.70 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   3.56 +/- 0.08  99.953% * 99.8692% (0.85  10.0   5.19  62.60) = 100.000%  kept
          HN    LEU  115 - HB3   PHE   97  13.50 +/- 1.11   0.038% *  0.0999% (0.85   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   PHE   97  16.97 +/- 0.93   0.009% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3074 (1.87, 2.36, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.726, support = 2.26, residual support = 58.8:
          HB3   ASP- 105 - HB3   PHE   97   3.64 +/- 0.47  92.631% * 70.0015% (0.72  1.00   2.29  59.70) =  98.225%  kept
          QB    LYS+ 106 - HB3   PHE   97   6.25 +/- 0.39   5.185% * 22.3667% (0.93  1.00   0.57  10.43) =   1.757%  kept
          HB    ILE  103 - HB3   PHE   97   7.70 +/- 0.68   1.871% *  0.5497% (0.65  1.00   0.02   1.27) =   0.016%
          HG3   PRO   68 - HB3   PHE   97  13.00 +/- 2.29   0.186% *  0.5177% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HB3   PHE   97  14.08 +/- 0.78   0.033% *  0.5811% (0.69  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   PHE   97  15.04 +/- 0.50   0.022% *  0.6941% (0.82  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   PHE   97  15.64 +/- 1.05   0.019% *  0.6941% (0.82  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB3   PHE   97  18.25 +/- 0.82   0.007% *  1.7816% (0.21 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   PHE   97  14.42 +/- 0.97   0.029% *  0.4210% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   PHE   97  19.67 +/- 0.75   0.005% *  0.7387% (0.87  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   PHE   97  20.87 +/- 0.60   0.003% *  0.7723% (0.91  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   PHE   97  18.02 +/- 0.71   0.008% *  0.3003% (0.36  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   PHE   97  22.86 +/- 1.21   0.002% *  0.5811% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3075 (1.80, 5.51, 53.84 ppm):
    8 chemical-shift based assignments, quality = 0.293, support = 4.34, residual support = 28.9:
          HG12  ILE  103 - HA    LEU   98   3.64 +/- 0.33  77.146% * 52.5629% (0.25   4.75  30.61) =  89.107%  kept
          HB    VAL   41 - HA    LEU   98   6.05 +/- 1.39  11.309% * 23.8171% (0.38   1.43  25.33) =   5.919%  kept
          QB    LYS+ 102 - HA    LEU   98   5.15 +/- 0.49  11.268% * 20.0683% (0.98   0.46   1.85) =   4.969%  kept
          HB2   LEU   71 - HA    LEU   98   9.83 +/- 1.06   0.237% *  0.8847% (1.00   0.02   0.02) =   0.005%
          QB    LYS+  66 - HA    LEU   98  14.39 +/- 1.27   0.024% *  0.5020% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LEU   98  17.21 +/- 0.66   0.007% *  0.8867% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   98  17.93 +/- 0.53   0.006% *  0.7406% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LEU   98  20.04 +/- 1.06   0.003% *  0.5378% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 2.96, residual support = 30.6:
          HA    ILE  103 - HA    LEU   98   2.13 +/- 0.12  99.442% * 94.1073% (0.73   2.96  30.61) =  99.999%  kept
          HA    LEU  104 - HA    LEU   98   5.17 +/- 0.33   0.544% *  0.2437% (0.28   0.02   8.93) =   0.001%
          HA    ASP-  44 - HA    LEU   98  11.38 +/- 0.57   0.005% *  0.7861% (0.90   0.02   0.02) =   0.000%
          HA    THR   39 - HA    LEU   98  10.51 +/- 0.53   0.008% *  0.2437% (0.28   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    LEU   98  15.85 +/- 1.04   0.001% *  0.6365% (0.73   0.02   0.02) =   0.000%
          HA    SER   85 - HA    LEU   98  18.32 +/- 0.95   0.000% *  0.7321% (0.84   0.02   0.02) =   0.000%
          HB    THR   77 - HA    LEU   98  20.58 +/- 0.58   0.000% *  0.7321% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    LEU   98  21.36 +/- 1.18   0.000% *  0.5670% (0.65   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    LEU   98  26.06 +/- 2.18   0.000% *  0.6699% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA    LEU   98  23.67 +/- 0.81   0.000% *  0.2990% (0.34   0.02   0.02) =   0.000%
          HA    MET   11 - HA    LEU   98  28.33 +/- 2.31   0.000% *  0.8091% (0.92   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    LEU   98  26.69 +/- 0.64   0.000% *  0.1735% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 3.56, residual support = 5.53:
          HN    ASP- 105 - HA    LEU   98   4.75 +/- 0.45  99.912% * 99.7775% (0.95   3.56   5.53) = 100.000%  kept
          HN    ALA   88 - HA    LEU   98  15.74 +/- 0.96   0.088% *  0.2225% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 9 structures by 0.92 A, kept.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.1, residual support = 16.6:
      O   HN    LYS+  99 - HA    LEU   98   2.31 +/- 0.08  99.752% * 99.7964% (0.80  10.0   4.10  16.57) = 100.000%  kept
          HE1   HIS  122 - HA    LEU   98  10.10 +/- 4.05   0.243% *  0.0905% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LEU   98  12.32 +/- 0.87   0.005% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  20.99 +/- 1.57   0.000% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 3.83, residual support = 8.93:
          HN    LEU  104 - HA    LEU   98   2.98 +/- 0.50  99.965% * 99.6581% (0.92   3.83   8.93) = 100.000%  kept
          HN    PHE   72 - HA    LEU   98  12.44 +/- 0.98   0.035% *  0.3419% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.2, residual support = 81.1:
      O   HN    LEU   98 - HA    LEU   98   2.93 +/- 0.01 100.000% *100.0000% (0.98  10.0   5.20  81.13) = 100.000%  kept
    Distance limit 3.51 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 = 0.455, support = 3.15, residual support = 26.6:
        T HB    VAL   41 - QB    LEU   98   3.52 +/- 1.40  44.430% * 72.2980% (0.42 10.00   2.96  25.33) =  76.632%  kept
          HG12  ILE  103 - QB    LEU   98   3.00 +/- 0.63  51.972% * 18.3830% (0.56  1.00   3.83  30.61) =  22.793%  kept
          HB    ILE  103 - QB    LEU   98   4.73 +/- 0.46   3.236% *  7.4195% (0.60  1.00   1.45  30.61) =   0.573%  kept
        T QB    LYS+ 106 - QB    LEU   98   7.24 +/- 0.43   0.197% *  0.4584% (0.27 10.00   0.02   0.02) =   0.002%
        T QB    LYS+  33 - QB    LEU   98  10.61 +/- 0.64   0.028% *  0.7230% (0.42 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QB    LEU   98   8.18 +/- 0.40   0.122% *  0.0901% (0.53  1.00   0.02   5.53) =   0.000%
          HG3   PRO   68 - QB    LEU   98  14.95 +/- 1.72   0.006% *  0.1079% (0.63  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    LEU   98  13.84 +/- 0.82   0.005% *  0.0458% (0.27  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QB    LEU   98  17.50 +/- 1.39   0.002% *  0.1332% (0.78  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QB    LEU   98  17.65 +/- 0.75   0.001% *  0.0611% (0.36  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QB    LEU   98  17.33 +/- 0.80   0.001% *  0.0507% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QB    LEU   98  21.23 +/- 0.74   0.000% *  0.1332% (0.78  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QB    LEU   98  23.57 +/- 1.33   0.000% *  0.0961% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.268, support = 3.72, residual support = 16.6:
          HN    LYS+  99 - QB    LEU   98   2.92 +/- 0.21  99.720% * 97.2660% (0.27   3.72  16.57) =  99.998%  kept
          HN    ASN   35 - QB    LEU   98   9.22 +/- 0.82   0.120% *  1.4147% (0.72   0.02   0.02) =   0.002%
          HE1   HIS  122 - QB    LEU   98  10.63 +/- 3.51   0.157% *  0.4223% (0.22   0.02   0.02) =   0.001%
          HN    GLU-  14 - QB    LEU   98  18.00 +/- 1.46   0.002% *  0.2613% (0.13   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    LEU   98  22.89 +/- 1.94   0.001% *  0.6357% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 2.87, residual support = 25.3:
          HN    VAL   41 - QB    LEU   98   3.65 +/- 0.42 100.000% *100.0000% (0.85   2.87  25.33) = 100.000%  kept
    Distance limit 3.89 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 5.02, residual support = 81.1:
      O   HN    LEU   98 - QB    LEU   98   2.93 +/- 0.20 100.000% *100.0000% (0.85  10.0   5.02  81.13) = 100.000%  kept
    Distance limit 3.23 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 = 81.1:
      O   HA    LEU   98 - HG    LEU   98   3.35 +/- 0.48 100.000% *100.0000% (0.69  10.0   4.04  81.13) = 100.000%  kept
    Distance limit 3.91 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3086 (9.69, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.02, residual support = 81.1:
          HN    LEU   98 - HG    LEU   98   2.85 +/- 0.75 100.000% *100.0000% (0.98   4.02  81.13) = 100.000%  kept
    Distance limit 3.65 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.249, support = 4.34, residual support = 30.6:
        T HA    ILE  103 - QD1   LEU   98   2.56 +/- 0.29  99.175% * 95.3462% (0.25 10.00   4.34  30.61) =  99.981%  kept
        T HA    LEU  104 - QD1   LEU   98   6.10 +/- 0.41   0.589% *  2.9222% (0.76 10.00   0.02   8.93) =   0.018%
          HA    ASP-  44 - QD1   LEU   98   7.92 +/- 1.17   0.192% *  0.1572% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   98  10.48 +/- 0.81   0.029% *  0.3815% (1.00  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   LEU   98  12.56 +/- 0.86   0.009% *  0.1304% (0.34  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   LEU   98  14.71 +/- 0.98   0.004% *  0.1304% (0.34  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   98  18.13 +/- 1.00   0.001% *  0.3815% (1.00  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   98  22.26 +/- 1.86   0.000% *  0.3790% (0.99  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   LEU   98  24.10 +/- 2.10   0.000% *  0.1714% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 0.756, support = 0.0199, residual support = 0.0199:
          HD1   TRP   27 - QD1   LEU   98   9.86 +/- 1.30  48.663% * 33.8723% (0.84   0.02   0.02) =  56.544%  kept
          HE21  GLN   30 - QD1   LEU   98  10.63 +/- 1.38  31.947% * 19.7390% (0.49   0.02   0.02) =  21.632%  kept
          QD    PHE   59 - QD1   LEU   98  12.01 +/- 1.80  18.425% * 33.8723% (0.84   0.02   0.02) =  21.409%  kept
          HH2   TRP   49 - QD1   LEU   98  19.58 +/- 1.57   0.965% * 12.5164% (0.31   0.02   0.02) =   0.414%
    Distance limit 3.47 A violated in 20 structures by 5.15 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 17.1:
        T QD1   LEU  104 - HB2   LYS+  99   2.03 +/- 0.30  99.988% * 98.4796% (0.69 10.00   2.96  17.12) = 100.000%  kept
        T QD1   LEU   63 - HB2   LYS+  99  11.20 +/- 1.02   0.005% *  0.2212% (0.15 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LYS+  99  11.27 +/- 1.05   0.005% *  0.2212% (0.15 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HB2   LYS+  99  16.44 +/- 0.83   0.000% *  0.8117% (0.57 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LYS+  99  17.02 +/- 1.15   0.000% *  0.1430% (1.00  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LYS+  99  15.57 +/- 2.00   0.001% *  0.0589% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LYS+  99  16.72 +/- 0.99   0.000% *  0.0643% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 2.58, residual support = 13.4:
        T QD2   LEU   40 - HB2   LYS+  99   2.95 +/- 0.77  96.832% * 99.5023% (0.95 10.00   2.58  13.40) =  99.997%  kept
          QG2   ILE  103 - HB2   LYS+  99   7.05 +/- 0.35   1.284% *  0.1050% (1.00  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HB2   LYS+  99   9.26 +/- 2.05   1.117% *  0.1015% (0.97  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LYS+  99   8.12 +/- 0.54   0.604% *  0.0512% (0.49  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   LYS+  99  10.61 +/- 1.24   0.119% *  0.0638% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  99  12.89 +/- 1.90   0.038% *  0.0325% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LYS+  99  20.44 +/- 1.21   0.003% *  0.1043% (0.99  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  99  18.02 +/- 1.02   0.004% *  0.0395% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 1 structures by 0.09 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.76, residual support = 171.9:
      O   HN    LYS+  99 - HB2   LYS+  99   2.96 +/- 0.24  96.658% * 99.4797% (0.31  10.0   4.76 171.88) =  99.997%  kept
          HE1   HIS  122 - HB2   LYS+  99   9.14 +/- 4.26   3.317% *  0.0804% (0.25   1.0   0.02   0.02) =   0.003%
          HN    ASN   35 - HB2   LYS+  99  12.35 +/- 0.88   0.023% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+  99  19.98 +/- 1.89   0.001% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   LYS+  99  25.14 +/- 2.43   0.000% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3092 (8.34, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.16, residual support = 171.9:
      O   HN    LYS+  99 - HA    LYS+  99   2.93 +/- 0.01  99.451% * 99.7964% (0.80  10.0   5.16 171.88) = 100.000%  kept
          HE1   HIS  122 - HA    LYS+  99  10.40 +/- 4.28   0.469% *  0.0905% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LYS+  99   9.82 +/- 0.81   0.078% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  99  18.27 +/- 1.70   0.002% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3093 (10.12, 4.38, 58.15 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.83, residual support = 39.7:
      O   HN    GLU- 100 - HA    LYS+  99   2.18 +/- 0.00 100.000% *100.0000% (0.84  10.0   6.83  39.69) = 100.000%  kept
    Distance limit 2.88 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 = 0.822, support = 5.06, residual support = 182.6:
      O   QE    LYS+  99 - HG2   LYS+  99   2.53 +/- 0.56  46.307% * 79.1619% (0.99  10.0   5.21 171.88) =  76.876%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.44 +/- 0.46  53.550% * 20.5905% (0.26  10.0   4.58 218.18) =  23.124%  kept
          QE    LYS+  38 - HG2   LYS+  99   8.35 +/- 1.54   0.066% *  0.0756% (0.95   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  99   9.36 +/- 1.22   0.023% *  0.0610% (0.76   1.0   0.02   1.48) =   0.000%
          QE    LYS+  99 - HG2   LYS+  38   8.70 +/- 1.37   0.038% *  0.0216% (0.27   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  99   9.36 +/- 0.44   0.013% *  0.0272% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  38  13.03 +/- 2.16   0.003% *  0.0166% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  99  17.28 +/- 1.00   0.000% *  0.0300% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  16.60 +/- 1.00   0.000% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  17.87 +/- 0.66   0.000% *  0.0082% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 7.06, residual support = 171.9:
      O T HA    LYS+  99 - HG2   LYS+  99   2.61 +/- 0.45  79.934% * 98.9579% (0.84  10.0 10.00   7.06 171.88) =  99.987%  kept
          HA    LEU   40 - HG2   LYS+  99   3.99 +/- 1.03   9.870% *  0.0671% (0.57   1.0  1.00   0.02  13.40) =   0.008%
          HA    ASN   35 - HG2   LYS+  38   4.18 +/- 1.15   9.875% *  0.0305% (0.26   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LYS+  99 - HG2   LYS+  38   8.97 +/- 1.04   0.074% *  0.2697% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   LYS+  99   9.40 +/- 1.00   0.058% *  0.1121% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   LYS+  38   8.08 +/- 0.59   0.178% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  99  15.65 +/- 2.30   0.003% *  0.1182% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  99  16.23 +/- 1.29   0.002% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  38  16.70 +/- 1.71   0.003% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  18.10 +/- 2.89   0.002% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  99  20.31 +/- 2.34   0.001% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  23.84 +/- 1.86   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  22.62 +/- 2.43   0.000% *  0.0322% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  23.66 +/- 1.08   0.000% *  0.0577% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  23.17 +/- 1.22   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  30.06 +/- 1.69   0.000% *  0.0312% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  28.60 +/- 1.33   0.000% *  0.0133% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  31.47 +/- 1.21   0.000% *  0.0157% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.108, support = 4.97, residual support = 11.7:
          HA    SER   37 - HA    LYS+  38   5.20 +/- 0.02  34.231% * 43.5702% (0.05  1.00   5.57  13.20) =  88.917%  kept
          HA    LEU   40 - HA    GLU- 100   4.91 +/- 0.63  50.597% *  2.7110% (0.80  1.00   0.02   0.02) =   8.178%  kept
          HA    LEU   40 - HA    LYS+  38   6.11 +/- 0.04  12.992% *  3.4596% (0.05  1.00   0.42   0.02) =   2.679%  kept
          HA    SER   37 - HA    GLU- 100   9.53 +/- 1.26   1.189% *  2.5874% (0.76  1.00   0.02   0.02) =   0.183%
          HA    VAL   42 - HA    GLU- 100  10.21 +/- 0.49   0.578% *  0.7538% (0.22  1.00   0.02   0.02) =   0.026%
          HA    GLU-  15 - HA    GLU- 100  17.09 +/- 1.17   0.029% *  3.2026% (0.95  1.00   0.02   0.02) =   0.006%
        T HA    PRO   58 - HA    GLU- 100  25.75 +/- 1.08   0.002% * 31.2530% (0.92 10.00   0.02   0.02) =   0.004%
          HA    SER   13 - HA    GLU- 100  20.40 +/- 2.34   0.012% *  3.2026% (0.95  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - HA    GLU- 100  20.10 +/- 1.11   0.011% *  2.5874% (0.76  1.00   0.02   0.02) =   0.002%
          HA    THR   46 - HA    GLU- 100  23.29 +/- 0.52   0.004% *  2.8279% (0.84  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HA    LYS+  38  15.30 +/- 1.07   0.061% *  0.1935% (0.06  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HA    LYS+  38  12.10 +/- 0.20   0.214% *  0.0455% (0.01  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HA    GLU- 100  20.02 +/- 2.21   0.012% *  0.6700% (0.20  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HA    LYS+  38  17.31 +/- 2.55   0.037% *  0.1935% (0.06  1.00   0.02   0.02) =   0.000%
        T HA    PRO   58 - HA    LYS+  38  26.76 +/- 0.92   0.002% *  1.8885% (0.06 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HA    LYS+  38  19.38 +/- 1.00   0.014% *  0.1563% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    GLU- 100  26.28 +/- 1.80   0.002% *  0.4582% (0.14  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HA    LYS+  38  24.92 +/- 0.28   0.003% *  0.1709% (0.05  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HA    LYS+  38  21.38 +/- 2.46   0.009% *  0.0405% (0.01  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    LYS+  38  28.14 +/- 1.61   0.001% *  0.0277% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 7 structures by 0.80 A, kept.
 
    Peak 3098 (8.85, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 14.9:
      O   HN    GLY  101 - HA    GLU- 100   2.90 +/- 0.36  99.050% * 99.9940% (1.00  10.0   3.86  14.94) = 100.000%  kept
          HN    GLY  101 - HA    LYS+  38   7.22 +/- 1.00   0.950% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.39, residual support = 75.7:
      O   HN    GLU- 100 - HA    GLU- 100   2.25 +/- 0.09  99.223% * 99.9940% (0.84  10.0   6.39  75.70) = 100.000%  kept
          HN    GLU- 100 - HA    LYS+  38   5.32 +/- 0.84   0.777% *  0.0060% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 0.783, support = 0.0199, residual support = 0.0199:
        T HA    LYS+  33 - HB2   GLU- 100  12.81 +/- 1.02  12.124% * 28.3278% (1.00 10.00   0.02   0.02) =  51.979%  kept
        T HA    GLN   32 - HB2   GLU- 100  12.17 +/- 1.22  17.926% *  8.7627% (0.31 10.00   0.02   0.02) =  23.773%  kept
        T HA    GLU-  29 - HB2   GLU- 100  16.74 +/- 1.18   2.492% * 27.8286% (0.98 10.00   0.02   0.02) =  10.494%  kept
          HA    VAL   70 - HB2   GLU- 100  11.70 +/- 0.87  23.484% *  2.3714% (0.84  1.00   0.02   0.02) =   8.429%  kept
          HB2   SER   37 - HB2   GLU- 100  10.41 +/- 0.86  42.092% *  0.5618% (0.20  1.00   0.02   0.02) =   3.579%  kept
        T HA    GLN  116 - HB2   GLU- 100  23.36 +/- 1.64   0.340% * 23.7140% (0.84 10.00   0.02   0.02) =   1.219%  kept
          HA    VAL   18 - HB2   GLU- 100  19.62 +/- 0.85   0.957% *  2.7399% (0.97  1.00   0.02   0.02) =   0.397%
          HB2   SER   82 - HB2   GLU- 100  26.41 +/- 1.74   0.168% *  2.6208% (0.92  1.00   0.02   0.02) =   0.067%
          HA    ALA   88 - HB2   GLU- 100  24.09 +/- 1.26   0.296% *  0.9684% (0.34  1.00   0.02   0.02) =   0.043%
          HA    SER   48 - HB2   GLU- 100  30.99 +/- 0.88   0.062% *  1.6074% (0.57  1.00   0.02   0.02) =   0.015%
          HD2   PRO   52 - HB2   GLU- 100  31.12 +/- 0.99   0.061% *  0.4972% (0.18  1.00   0.02   0.02) =   0.005%
    Distance limit 3.31 A violated in 20 structures by 5.67 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.447, support = 5.27, residual support = 39.5:
          HG2   LYS+  99 - HG2   GLU- 100   4.29 +/- 1.03  55.751% * 97.5004% (0.45   5.29  39.69) =  99.623%  kept
          HG2   LYS+  38 - HG2   GLU- 100   4.86 +/- 1.68  44.187% *  0.4657% (0.57   0.02   0.02) =   0.377%
          HB2   LEU   31 - HG2   GLU- 100  11.85 +/- 0.77   0.055% *  0.1441% (0.18   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   GLU- 100  20.26 +/- 1.00   0.002% *  0.7377% (0.90   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   GLU- 100  21.00 +/- 0.93   0.002% *  0.8063% (0.98   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   GLU- 100  20.00 +/- 0.76   0.002% *  0.1628% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG2   GLU- 100  27.29 +/- 2.36   0.000% *  0.1831% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 8 structures by 1.03 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.447, support = 4.08, residual support = 39.6:
          HG2   LYS+  99 - HG3   GLU- 100   3.28 +/- 1.38  75.918% * 96.7897% (0.45   4.09  39.69) =  99.805%  kept
          HG2   LYS+  38 - HG3   GLU- 100   5.86 +/- 1.85  24.039% *  0.5981% (0.57   0.02   0.02) =   0.195%
          HB2   LEU   31 - HG3   GLU- 100  12.14 +/- 1.08   0.039% *  0.1850% (0.18   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLU- 100  19.80 +/- 1.10   0.001% *  0.9474% (0.90   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLU- 100  20.65 +/- 0.63   0.001% *  1.0355% (0.98   0.02   0.02) =   0.000%
          QG2   THR   23 - HG3   GLU- 100  20.08 +/- 0.64   0.001% *  0.2091% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   GLU- 100  26.38 +/- 2.10   0.000% *  0.2352% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 5 structures by 0.57 A, kept.
 
    Peak 3105 (3.81, 2.12, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.46, residual support = 75.7:
      O   HA    GLU- 100 - HG3   GLU- 100   2.96 +/- 0.47  87.805% * 99.7364% (1.00  10.0   4.46  75.70) =  99.997%  kept
          HA    LYS+  38 - HG3   GLU- 100   4.81 +/- 1.49  12.194% *  0.0198% (0.20   1.0   0.02   0.02) =   0.003%
          HA    VAL   83 - HG3   GLU- 100  21.72 +/- 1.33   0.001% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   GLU- 100  27.58 +/- 1.65   0.000% *  0.0991% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  28.13 +/- 1.85   0.000% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3106 (10.11, 2.12, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.3, residual support = 75.7:
          HN    GLU- 100 - HG3   GLU- 100   2.83 +/- 0.62 100.000% *100.0000% (0.97   4.30  75.70) = 100.000%  kept
    Distance limit 3.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3107 (10.12, 2.23, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.48, residual support = 75.7:
          HN    GLU- 100 - HG2   GLU- 100   3.30 +/- 0.88 100.000% *100.0000% (0.84   6.48  75.70) = 100.000%  kept
    Distance limit 4.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3108 (7.76, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.65, residual support = 160.0:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.58 +/- 0.06  99.281% * 99.6342% (1.00  10.0   4.65 159.98) = 100.000%  kept
          HN    LYS+ 102 - HB    VAL   41   7.89 +/- 2.03   0.495% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB    VAL   41   7.98 +/- 0.76   0.154% *  0.0272% (0.27   1.0   0.02   0.11) =   0.000%
          HN    GLU-  36 - HB    VAL   41   9.96 +/- 0.86   0.038% *  0.0433% (0.43   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    LYS+ 102  12.04 +/- 1.66   0.014% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    LYS+ 102  13.98 +/- 1.72   0.006% *  0.0964% (0.97   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  12.53 +/- 0.90   0.008% *  0.0290% (0.29   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    LYS+ 102  15.03 +/- 1.07   0.003% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3109 (8.62, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.46, residual support = 22.4:
          HN    ILE  103 - QB    LYS+ 102   3.02 +/- 0.39  99.699% * 98.9474% (1.00   5.46  22.37) = 100.000%  kept
          HN    ILE  103 - HB    VAL   41   8.97 +/- 1.27   0.287% *  0.1628% (0.45   0.02   0.02) =   0.000%
          HN    GLN   90 - QB    LYS+ 102  18.83 +/- 1.17   0.002% *  0.3427% (0.95   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    VAL   41  17.47 +/- 0.73   0.003% *  0.1540% (0.43   0.02   0.02) =   0.000%
          HN    GLY  109 - QB    LYS+ 102  17.94 +/- 0.54   0.003% *  0.1906% (0.53   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    VAL   41  18.34 +/- 1.02   0.003% *  0.0856% (0.24   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  18.52 +/- 1.12   0.002% *  0.0362% (0.10   0.02   0.02) =   0.000%
          HN    SER   82 - QB    LYS+ 102  21.62 +/- 1.16   0.001% *  0.0807% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3110 (7.78, 1.45, 25.01 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 4.42, residual support = 160.0:
          HN    LYS+ 102 - HG2   LYS+ 102   3.59 +/- 0.44  99.295% * 99.2115% (0.73   4.42 159.98) =  99.998%  kept
          HN    ASP- 105 - HG2   LYS+ 102  10.00 +/- 1.16   0.589% *  0.2322% (0.38   0.02   0.02) =   0.001%
          HN    GLU-  36 - HG2   LYS+ 102  14.96 +/- 2.41   0.039% *  0.3255% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - HG2   LYS+ 102  13.30 +/- 2.12   0.066% *  0.1084% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG2   LYS+ 102  17.57 +/- 1.43   0.010% *  0.1224% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3111 (3.95, 4.28, 62.30 ppm):
    20 chemical-shift based assignments, quality = 0.595, support = 0.0197, residual support = 0.0197:
        T QB    SER  117 - HA    ILE  103  13.45 +/- 0.81  17.204% *  7.5887% (0.34 10.00   0.02   0.02) =  37.595%  kept
        T QB    SER   85 - HA    ILE  103  16.80 +/- 0.94   4.605% * 19.9520% (0.90 10.00   0.02   0.02) =  26.456%  kept
          HB    THR   94 - HA    ILE  103  13.23 +/- 0.52  18.703% *  1.7002% (0.76  1.00   0.02   0.02) =   9.157%  kept
          HA    LYS+ 121 - HA    ILE  103  13.48 +/- 1.02  17.599% *  1.5282% (0.69  1.00   0.02   0.02) =   7.745%  kept
        T QB    SER   48 - HA    ILE  103  22.85 +/- 0.78   0.708% * 19.2979% (0.87 10.00   0.02   0.02) =   3.936%  kept
          HA2   GLY   16 - HA    THR   39  13.95 +/- 1.68  16.737% *  0.6592% (0.30  1.00   0.02   0.02) =   3.177%  kept
          HA    ALA  120 - HA    ILE  103  16.61 +/- 1.00   4.933% *  2.2050% (0.99  1.00   0.02   0.02) =   3.132%  kept
          HA    LYS+  65 - HA    THR   39  16.03 +/- 1.12   6.329% *  0.6139% (0.28  1.00   0.02   0.02) =   1.119%  kept
        T QB    SER  117 - HA    THR   39  20.22 +/- 0.92   1.490% *  2.5072% (0.11 10.00   0.02   0.02) =   1.076%  kept
        T HA2   GLY   51 - HA    ILE  103  26.79 +/- 0.57   0.272% * 13.4936% (0.61 10.00   0.02   0.02) =   1.059%  kept
        T QB    SER   85 - HA    THR   39  23.79 +/- 0.70   0.558% *  6.5917% (0.30 10.00   0.02   0.02) =   1.059%  kept
        T HD2   PRO   52 - HA    ILE  103  23.40 +/- 0.67   0.613% *  5.5474% (0.25 10.00   0.02   0.02) =   0.978%  kept
          HA    LYS+  65 - HA    ILE  103  19.78 +/- 0.95   1.711% *  1.8582% (0.84  1.00   0.02   0.02) =   0.915%  kept
          HA2   GLY   16 - HA    ILE  103  20.72 +/- 1.34   1.293% *  1.9952% (0.90  1.00   0.02   0.02) =   0.743%  kept
        T QB    SER   48 - HA    THR   39  26.63 +/- 0.49   0.283% *  6.3756% (0.29 10.00   0.02   0.02) =   0.519%  kept
          HA    LYS+ 121 - HA    THR   39  18.04 +/- 1.63   3.365% *  0.5049% (0.23  1.00   0.02   0.02) =   0.489%
          HA    ALA  120 - HA    THR   39  19.59 +/- 1.81   2.095% *  0.7285% (0.33  1.00   0.02   0.02) =   0.439%
          HB    THR   94 - HA    THR   39  20.75 +/- 0.40   1.253% *  0.5617% (0.25  1.00   0.02   0.02) =   0.203%
        T HA2   GLY   51 - HA    THR   39  32.07 +/- 0.84   0.094% *  4.4580% (0.20 10.00   0.02   0.02) =   0.120%
        T HD2   PRO   52 - HA    THR   39  29.43 +/- 0.67   0.156% *  1.8327% (0.08 10.00   0.02   0.02) =   0.082%
    Distance limit 3.06 A violated in 20 structures by 7.02 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.98, residual support = 37.1:
      O   HN    LEU  104 - HA    ILE  103   2.29 +/- 0.11  99.978% * 99.8797% (0.92  10.0   5.98  37.09) = 100.000%  kept
          HN    PHE   72 - HA    THR   39   9.97 +/- 0.63   0.017% *  0.0217% (0.20   1.0   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    ILE  103  14.07 +/- 0.93   0.002% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU  104 - HA    THR   39  12.84 +/- 0.67   0.003% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 2.76 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 = 0.332, support = 3.74, residual support = 37.9:
      O   HN    THR   39 - HA    THR   39   2.86 +/- 0.02  95.839% * 72.5911% (0.33  10.0   3.74  38.08) =  98.543%  kept
          HN    LYS+ 102 - HA    ILE  103   4.90 +/- 0.19   3.902% * 26.3538% (0.65   1.0   3.68  22.37) =   1.456%  kept
          HN    GLU-  36 - HA    THR   39   8.18 +/- 0.13   0.176% *  0.0612% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  12.86 +/- 1.02   0.013% *  0.2212% (1.00   1.0   0.02   0.46) =   0.000%
          HN    LYS+ 102 - HA    THR   39  10.64 +/- 1.34   0.048% *  0.0474% (0.21   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  13.30 +/- 0.49   0.010% *  0.2197% (0.99   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  15.84 +/- 0.78   0.004% *  0.1852% (0.84   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.29 +/- 0.86   0.002% *  0.1079% (0.49   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.88 +/- 0.50   0.002% *  0.0356% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  17.61 +/- 0.91   0.002% *  0.0439% (0.20   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  20.32 +/- 0.73   0.001% *  0.0731% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  18.84 +/- 0.64   0.001% *  0.0342% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  19.98 +/- 0.98   0.001% *  0.0113% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  26.21 +/- 0.57   0.000% *  0.0145% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3115 (0.69, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.34, residual support = 30.6:
        T QD1   LEU   98 - HA    ILE  103   2.56 +/- 0.29  99.946% * 99.6453% (0.41 10.00   4.34  30.61) = 100.000%  kept
          QG2   ILE   19 - HA    THR   39  11.13 +/- 0.89   0.020% *  0.0799% (0.33  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    THR   39  10.34 +/- 0.49   0.031% *  0.0329% (0.14  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    ILE  103  14.85 +/- 0.73   0.003% *  0.2418% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 0.396, support = 2.21, residual support = 3.72:
          HN    ASP- 105 - QG2   ILE  103   3.22 +/- 0.39  97.851% * 24.6465% (0.38   2.14   2.57) =  94.191%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.35 +/- 0.15   1.988% * 74.8010% (0.73   3.35  22.37) =   5.808%  kept
          HD1   TRP   87 - QG2   ILE  103  10.35 +/- 1.08   0.134% *  0.1216% (0.20   0.02   0.46) =   0.001%
          HN    GLU-  36 - QG2   ILE  103  15.86 +/- 0.64   0.008% *  0.3233% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   ILE  103  13.78 +/- 0.37   0.019% *  0.1076% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.62, residual support = 37.1:
          HN    LEU  104 - QG2   ILE  103   2.46 +/- 0.38  99.995% * 99.9410% (0.90   6.62  37.09) = 100.000%  kept
          HN    PHE   72 - QG2   ILE  103  13.42 +/- 0.80   0.005% *  0.0590% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 6.73, residual support = 138.3:
      O   HN    ILE  103 - HB    ILE  103   2.08 +/- 0.05  99.999% * 99.8308% (1.00  10.0   6.73 138.30) = 100.000%  kept
          HN    GLN   90 - HB    ILE  103  16.30 +/- 1.40   0.001% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    ILE  103  15.35 +/- 0.73   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  20.44 +/- 1.25   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 138.3:
      O T HA    ILE  103 - HG12  ILE  103   2.27 +/- 0.22  99.759% * 97.9216% (0.20  10.0 10.00   5.98 138.30) =  99.999%  kept
          HA    LEU  104 - HG12  ILE  103   6.33 +/- 0.22   0.226% *  0.3001% (0.61   1.0  1.00   0.02  37.09) =   0.001%
          HA    ASP-  86 - HG12  ILE  103  12.73 +/- 1.17   0.004% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG12  ILE  103  10.85 +/- 0.84   0.009% *  0.1614% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG12  ILE  103  15.28 +/- 1.10   0.001% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG12  ILE  103  18.58 +/- 0.90   0.000% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG12  ILE  103  23.54 +/- 1.50   0.000% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG12  ILE  103  28.47 +/- 2.51   0.000% *  0.3892% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  30.69 +/- 2.61   0.000% *  0.1761% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.93, residual support = 138.3:
          HN    ILE  103 - HG12  ILE  103   3.18 +/- 0.26  99.974% * 99.5132% (0.80   6.93 138.30) = 100.000%  kept
          HN    GLN   90 - HG12  ILE  103  15.19 +/- 1.08   0.011% *  0.2717% (0.76   0.02   0.02) =   0.000%
          HN    GLY  109 - HG12  ILE  103  14.83 +/- 0.65   0.012% *  0.1511% (0.42   0.02   0.02) =   0.000%
          HN    SER   82 - HG12  ILE  103  18.79 +/- 1.18   0.003% *  0.0640% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.31, residual support = 138.3:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  99.989% * 99.2748% (0.58  10.0 10.00   4.31 138.30) = 100.000%  kept
          QG2   THR   94 - HG12  ILE  103   8.55 +/- 0.50   0.008% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   71 - HG12  ILE  103  12.86 +/- 1.27   0.001% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  103  11.03 +/- 0.86   0.002% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  22.06 +/- 1.11   0.000% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  23.09 +/- 1.31   0.000% *  0.0513% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3122 (0.98, 1.82, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.47, support = 4.76, residual support = 138.3:
      O T QD1   ILE  103 - HG12  ILE  103   2.14 +/- 0.02  89.253% * 32.5765% (0.39  10.0 10.00   4.62 138.30) =  80.394%  kept
      O T QG2   ILE  103 - HG12  ILE  103   3.09 +/- 0.17  10.618% * 66.7776% (0.80  10.0 10.00   5.31 138.30) =  19.605%  kept
          QD2   LEU   40 - HG12  ILE  103   6.76 +/- 0.72   0.119% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG12  ILE  103  12.77 +/- 1.08   0.002% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG12  ILE  103  12.06 +/- 2.10   0.005% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  13.78 +/- 1.08   0.001% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  14.39 +/- 1.49   0.001% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  103  18.27 +/- 0.89   0.000% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3123 (0.70, 1.82, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.718, support = 5.83, residual support = 30.6:
          QD1   LEU   98 - HG12  ILE  103   1.96 +/- 0.34  99.999% * 99.7533% (0.72   5.83  30.61) = 100.000%  kept
          QG2   ILE   19 - HG12  ILE  103  14.44 +/- 0.87   0.001% *  0.2467% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.753, support = 4.05, residual support = 138.3:
      O   QD1   ILE  103 - HG13  ILE  103   2.14 +/- 0.02  59.586% * 82.5087% (0.84  10.0   3.97 138.30) =  87.550%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.30 +/- 0.15  40.411% * 17.2996% (0.18  10.0   4.66 138.30) =  12.450%  kept
          QG2   ILE  119 - HG13  ILE  103  13.74 +/- 1.34   0.001% *  0.0953% (0.97   1.0   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  103  13.18 +/- 0.93   0.001% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  17.85 +/- 0.74   0.000% *  0.0246% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.53 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 = 2.42, residual support = 30.6:
          QD1   LEU   98 - HG13  ILE  103   2.49 +/- 0.61  99.995% * 99.4074% (0.90   2.42  30.61) = 100.000%  kept
          QG2   ILE   19 - HG13  ILE  103  14.73 +/- 0.66   0.005% *  0.5926% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.559, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   ILE  103  11.07 +/- 1.21  52.648% * 17.5479% (0.45   0.02   0.02) =  45.333%  kept
          HE21  GLN   30 - QD1   ILE  103  13.16 +/- 1.39  19.264% * 30.1124% (0.77   0.02   0.02) =  28.464%  kept
          QD    PHE   59 - QD1   ILE  103  12.87 +/- 1.44  25.703% * 17.5479% (0.45   0.02   0.02) =  22.132%  kept
          HH2   TRP   49 - QD1   ILE  103  19.27 +/- 1.92   2.385% * 34.7918% (0.89   0.02   0.02) =   4.072%  kept
    Distance limit 3.92 A violated in 20 structures by 5.92 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 0.413, residual support = 0.463:
          HE3   TRP   87 - QD1   ILE  103   4.98 +/- 1.18  93.865% * 57.4716% (0.52   0.42   0.46) =  97.261%  kept
          HN    TRP   87 - QD1   ILE  103   8.51 +/- 1.06   4.555% * 32.5842% (0.67   0.19   0.46) =   2.676%  kept
          HD21  ASN   69 - QD1   ILE  103  14.61 +/- 1.31   0.641% *  3.3240% (0.63   0.02   0.02) =   0.038%
          HN    ALA   91 - QD1   ILE  103  12.53 +/- 1.04   0.664% *  1.0773% (0.21   0.02   0.02) =   0.013%
          HN    GLN   17 - QD1   ILE  103  17.42 +/- 1.00   0.100% *  4.1975% (0.80   0.02   0.02) =   0.008%
          HN    ALA   61 - QD1   ILE  103  16.42 +/- 0.87   0.175% *  1.3454% (0.26   0.02   0.02) =   0.004%
    Distance limit 3.58 A violated in 13 structures by 1.37 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.67, residual support = 138.3:
          HN    ILE  103 - QD1   ILE  103   3.17 +/- 0.66  99.798% * 99.4055% (0.92   5.67 138.30) = 100.000%  kept
          HN    GLN   90 - QD1   ILE  103  11.78 +/- 1.11   0.082% *  0.3318% (0.87   0.02   0.02) =   0.000%
          HN    GLY  109 - QD1   ILE  103  11.73 +/- 1.07   0.106% *  0.1845% (0.49   0.02   0.02) =   0.000%
          HN    SER   82 - QD1   ILE  103  14.94 +/- 1.10   0.014% *  0.0781% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 138.3:
      O   HA    ILE  103 - HG13  ILE  103   2.87 +/- 0.40  98.781% * 99.0827% (0.73  10.0   5.40 138.30) =  99.999%  kept
          HA    LEU  104 - HG13  ILE  103   6.20 +/- 0.42   1.103% *  0.0379% (0.28   1.0   0.02  37.09) =   0.000%
          HA    ASP-  44 - HG13  ILE  103  10.18 +/- 0.62   0.066% *  0.1224% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG13  ILE  103  12.53 +/- 1.33   0.029% *  0.0991% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HG13  ILE  103  14.68 +/- 1.26   0.010% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HG13  ILE  103  14.47 +/- 0.59   0.007% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HG13  ILE  103  17.86 +/- 0.90   0.002% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG13  ILE  103  21.72 +/- 0.96   0.001% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG13  ILE  103  23.93 +/- 1.23   0.000% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  29.04 +/- 2.38   0.000% *  0.1043% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  31.35 +/- 2.39   0.000% *  0.1260% (0.92   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  24.24 +/- 0.65   0.000% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3130 (8.62, 1.16, 28.60 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 138.3:
          HN    ILE  103 - HG13  ILE  103   4.14 +/- 0.12  99.824% * 99.4582% (1.00   6.22 138.30) = 100.000%  kept
          HN    GLN   90 - HG13  ILE  103  14.23 +/- 1.19   0.071% *  0.3024% (0.95   0.02   0.02) =   0.000%
          HN    GLY  109 - HG13  ILE  103  13.45 +/- 0.59   0.091% *  0.1682% (0.53   0.02   0.02) =   0.000%
          HN    SER   82 - HG13  ILE  103  18.57 +/- 1.25   0.014% *  0.0712% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.27 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.3, residual support = 138.3:
          HN    ILE  103 - QG2   ILE  103   3.48 +/- 0.13  99.860% * 99.2319% (0.69   6.30 138.30) =  99.999%  kept
          HN    GLY  109 - QG2   ILE  103  11.30 +/- 0.52   0.091% *  0.4427% (0.97   0.02   0.02) =   0.000%
          HN    GLN   90 - QG2   ILE  103  12.89 +/- 1.21   0.048% *  0.2233% (0.49   0.02   0.02) =   0.000%
          HE1   HIS   22 - QG2   ILE  103  22.62 +/- 0.65   0.001% *  0.1021% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3132 (4.62, 1.86, 38.31 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.77, residual support = 22.4:
          HA    LYS+ 102 - HB    ILE  103   4.36 +/- 0.12  99.946% * 98.7635% (0.38   4.77  22.37) = 100.000%  kept
          HA    LEU   71 - HB    ILE  103  16.14 +/- 1.23   0.045% *  0.2183% (0.20   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    ILE  103  20.93 +/- 0.64   0.008% *  1.0182% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.37 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.821, support = 4.72, residual support = 18.2:
        T HB2   PHE   97 - HB2   LEU  104   3.47 +/- 0.23  94.394% * 99.7054% (0.82 10.00   4.72  18.22) =  99.998%  kept
          QE    LYS+  99 - HB2   LEU  104   6.34 +/- 1.01   4.419% *  0.0263% (0.22  1.00   0.02  17.12) =   0.001%
          QE    LYS+ 106 - HB2   LEU  104   7.96 +/- 1.24   1.167% *  0.0945% (0.78  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HB2   LEU  104  15.52 +/- 1.54   0.014% *  0.0765% (0.63  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   LEU  104  17.31 +/- 0.89   0.006% *  0.0973% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.27, residual support = 37.8:
          HN    ASP- 105 - HB2   LEU  104   2.44 +/- 0.34  99.999% * 99.8737% (0.82   6.27  37.76) = 100.000%  kept
          HN    ALA   88 - HB2   LEU  104  17.93 +/- 0.95   0.001% *  0.1263% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 7.39, residual support = 217.2:
      O   HN    LEU  104 - HB2   LEU  104   2.69 +/- 0.19  99.993% * 99.7579% (0.36  10.0   7.39 217.23) = 100.000%  kept
          HN    PHE   72 - HB2   LEU  104  13.51 +/- 0.86   0.007% *  0.2421% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.89, residual support = 217.2:
      O   HN    LEU  104 - HB3   LEU  104   3.73 +/- 0.10  99.974% * 99.9343% (0.71  10.0   6.89 217.23) = 100.000%  kept
          HN    PHE   72 - HB3   LEU  104  15.00 +/- 0.86   0.026% *  0.0657% (0.46   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3137 (9.38, 1.53, 26.82 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 7.45, residual support = 217.2:
          HN    LEU  104 - HG    LEU  104   2.97 +/- 0.42  99.989% * 99.8239% (0.92   7.45 217.23) = 100.000%  kept
          HN    PHE   72 - HG    LEU  104  13.99 +/- 1.24   0.011% *  0.1761% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 1.5, residual support = 17.1:
          HN    LYS+  99 - HG    LEU  104   3.31 +/- 0.51  94.183% * 96.3289% (0.98   1.50  17.12) =  99.916%  kept
          HE1   HIS  122 - HG    LEU  104   9.01 +/- 4.25   5.806% *  1.3074% (1.00   0.02   0.02) =   0.084%
          HN    GLN   30 - HG    LEU  104  17.66 +/- 0.95   0.005% *  0.5875% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  14 - HG    LEU  104  22.18 +/- 1.79   0.001% *  1.2844% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG    LEU  104  19.23 +/- 0.91   0.004% *  0.4918% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.391, support = 6.81, residual support = 212.3:
          HN    LEU  104 - QD1   LEU  104   3.68 +/- 0.58  89.066% * 77.5899% (0.40   6.89 217.23) =  97.227%  kept
          HN    PHE   72 - QD1   LEU   73   5.65 +/- 0.34   9.081% * 21.6795% (0.18   4.30  39.98) =   2.770%  kept
          HN    PHE   72 - QD1   LEU   63   8.29 +/- 1.06   1.181% *  0.1007% (0.18   0.02  17.71) =   0.002%
          HN    PHE   72 - QD1   LEU  104  11.10 +/- 1.15   0.137% *  0.5469% (0.96   0.02   0.02) =   0.001%
          HN    LEU  104 - QD1   LEU   63   9.67 +/- 1.08   0.386% *  0.0415% (0.07   0.02   0.02) =   0.000%
          HN    LEU  104 - QD1   LEU   73  11.24 +/- 0.74   0.148% *  0.0415% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.397, support = 2.96, residual support = 17.1:
        T HB2   LYS+  99 - QD1   LEU  104   2.03 +/- 0.30  99.376% * 97.1108% (0.40 10.00   2.96  17.12) = 100.000%  kept
          HB    VAL   43 - QD1   LEU   73   5.01 +/- 0.58   0.572% *  0.0229% (0.09  1.00   0.02   8.01) =   0.000%
        T HB    VAL   43 - QD1   LEU  104  10.18 +/- 1.11   0.009% *  1.2428% (0.51 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   63  11.20 +/- 1.02   0.005% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   73  11.27 +/- 1.05   0.005% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QD1   LEU   63   8.82 +/- 1.14   0.022% *  0.0229% (0.09  1.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - QD1   LEU  104  16.51 +/- 1.18   0.000% *  1.0590% (0.43 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  11.18 +/- 0.80   0.005% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  13.10 +/- 1.41   0.002% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  13.50 +/- 0.63   0.002% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU  104  21.26 +/- 0.99   0.000% *  0.1059% (0.43  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  17.30 +/- 1.31   0.000% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 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 = 2.0, residual support = 17.1:
          HB2   LYS+  99 - QD2   LEU  104   2.79 +/- 0.29  95.797% * 87.1245% (0.90  1.00   2.00  17.12) =  99.991%  kept
        T HB    VAL   43 - QD2   LEU  104  10.96 +/- 0.87   0.030% *  9.3754% (0.97 10.00   0.02   0.02) =   0.003%
        T HB    VAL   43 - QG1   VAL   41   7.31 +/- 0.52   0.375% *  0.5036% (0.05 10.00   0.02   1.57) =   0.002%
        T HB    VAL   43 - QG2   VAL   18   9.26 +/- 0.92   0.106% *  1.4406% (0.15 10.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - QG2   VAL   18   5.59 +/- 0.64   2.486% *  0.0372% (0.04  1.00   0.02  50.10) =   0.001%
          HB2   LYS+  99 - QG1   VAL   41   6.47 +/- 1.11   1.182% *  0.0468% (0.05  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   VAL   18  14.73 +/- 0.79   0.005% *  0.1378% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG2   VAL   18  14.97 +/- 1.04   0.006% *  0.1339% (0.14  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU  104  21.69 +/- 1.11   0.000% *  0.8968% (0.92  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.78 +/- 1.18   0.001% *  0.2422% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  13.98 +/- 1.23   0.009% *  0.0130% (0.01  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   41  17.73 +/- 0.68   0.002% *  0.0482% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.723, support = 3.15, residual support = 41.3:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  99.821% * 98.4679% (0.72  10.0 10.00   3.15  41.30) = 100.000%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.07 +/- 0.12   0.172% *  0.1263% (0.93   1.0  1.00   0.02  19.38) =   0.000%
          HB    ILE  103 - HB2   ASP- 105   8.94 +/- 0.28   0.006% *  0.0885% (0.65   1.0  1.00   0.02   2.57) =   0.000%
        T HB2   MET   92 - HB2   ASP- 105  15.96 +/- 1.02   0.000% *  0.4836% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP- 105  13.29 +/- 0.70   0.001% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  15.32 +/- 2.50   0.001% *  0.0834% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  18.57 +/- 1.39   0.000% *  0.1189% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  18.59 +/- 0.90   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  19.18 +/- 0.51   0.000% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  18.46 +/- 0.96   0.000% *  0.0678% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  16.84 +/- 0.84   0.000% *  0.0287% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  21.49 +/- 0.48   0.000% *  0.1243% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  21.32 +/- 0.96   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.6, residual support = 4.96:
        T QG2   THR  118 - HB2   ASP- 105   2.86 +/- 1.40 100.000% *100.0000% (0.54 10.00   1.60   4.96) = 100.000%  kept
    Distance limit 3.22 A violated in 1 structures by 0.31 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.6, residual support = 4.96:
        T QG2   THR  118 - HB3   ASP- 105   3.73 +/- 1.40 100.000% *100.0000% (0.57 10.00   1.60   4.96) = 100.000%  kept
    Distance limit 3.42 A violated in 3 structures by 0.56 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.888, support = 4.5, residual support = 54.1:
          HB2   PHE   97 - HB2   ASP- 105   3.73 +/- 0.32  81.967% * 57.0802% (0.89   4.64  59.70) =  86.158%  kept
          QE    LYS+ 106 - HB2   ASP- 105   5.82 +/- 1.35  17.717% * 42.4259% (0.85   3.64  19.38) =  13.842%  kept
          QE    LYS+  99 - HB2   ASP- 105  10.27 +/- 0.97   0.233% *  0.0649% (0.24   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   ASP- 105  12.57 +/- 1.30   0.076% *  0.1889% (0.69   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   ASP- 105  18.04 +/- 0.81   0.007% *  0.2401% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.863, support = 3.75, residual support = 59.3:
        T HB2   PHE   97 - HB3   ASP- 105   2.87 +/- 0.49  97.872% * 67.7091% (0.87 10.00   3.76  59.70) =  99.103%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   6.67 +/- 1.33   1.868% * 32.0903% (0.41 10.00   3.50  19.38) =   0.897%  kept
          QE    LYS+  99 - HB3   ASP- 105   8.82 +/- 0.98   0.189% *  0.0567% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HB3   ASP- 105  11.20 +/- 0.95   0.044% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   ASP- 105  13.11 +/- 1.39   0.020% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   ASP- 105  17.71 +/- 0.98   0.002% *  0.0700% (0.90  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   ASP- 105  17.18 +/- 1.57   0.003% *  0.0350% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.12, residual support = 41.3:
      O T HA    ASP- 105 - HB3   ASP- 105   3.00 +/- 0.05  99.998% * 99.8608% (0.87  10.0 10.00   3.12  41.30) = 100.000%  kept
          HA    LEU   80 - HB3   ASP- 105  22.55 +/- 0.88   0.001% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP- 105  24.42 +/- 1.19   0.000% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB3   ASP- 105  22.16 +/- 1.08   0.001% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3150 (7.80, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.5, residual support = 41.3:
      O   HN    ASP- 105 - HB3   ASP- 105   2.63 +/- 0.15  99.999% * 99.9603% (0.95  10.0   4.50  41.30) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  17.26 +/- 0.84   0.001% *  0.0397% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 3.76, residual support = 19.4:
          HN    LYS+ 106 - HB3   ASP- 105   3.94 +/- 0.17  99.617% * 99.5336% (0.18   3.76  19.38) =  99.998%  kept
          HN    VAL   41 - HB3   ASP- 105  10.18 +/- 0.82   0.383% *  0.4664% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.79 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.41, residual support = 59.7:
          QD    PHE   97 - HB2   ASP- 105   3.22 +/- 0.39  99.968% * 99.3126% (0.87   3.41  59.70) = 100.000%  kept
          HZ3   TRP   87 - HB2   ASP- 105  13.57 +/- 1.48   0.031% *  0.5470% (0.82   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB2   ASP- 105  23.94 +/- 1.74   0.001% *  0.1404% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.63, residual support = 41.3:
      O   HN    ASP- 105 - HB2   ASP- 105   3.62 +/- 0.17  99.989% * 99.9603% (0.89  10.0   4.63  41.30) = 100.000%  kept
          HN    ALA   88 - HB2   ASP- 105  16.68 +/- 0.81   0.011% *  0.0397% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3154 (8.99, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.166, support = 3.76, residual support = 19.4:
          HN    LYS+ 106 - HB2   ASP- 105   2.66 +/- 0.18  99.982% * 99.5334% (0.17   3.76  19.38) = 100.000%  kept
          HN    VAL   41 - HB2   ASP- 105  11.47 +/- 0.74   0.018% *  0.4666% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 1.08, residual support = 2.15:
        T HA    MET   96 - HA    LYS+ 106   3.02 +/- 0.46  99.955% * 99.9197% (0.87 10.00   1.08   2.15) = 100.000%  kept
          HA    PHE   72 - HA    LYS+ 106  11.39 +/- 0.55   0.045% *  0.0803% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.92, residual support = 10.4:
          QD    PHE   97 - HA    LYS+ 106   2.86 +/- 0.61  99.868% * 99.5747% (0.45   3.92  10.43) =  99.999%  kept
          HZ3   TRP   87 - HA    LYS+ 106  10.66 +/- 1.29   0.132% *  0.4253% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 3.0, residual support = 10.4:
          HN    PHE   97 - HA    LYS+ 106   3.36 +/- 0.37  99.731% * 99.1338% (0.90   3.00  10.43) =  99.998%  kept
          HN    LEU  115 - HA    LYS+ 106   9.76 +/- 0.88   0.230% *  0.6612% (0.90   0.02   0.02) =   0.002%
          HN    ASP- 113 - HA    LYS+ 106  13.05 +/- 0.75   0.039% *  0.2050% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.17, residual support = 135.8:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.86 +/- 0.03 100.000% *100.0000% (0.61  10.0   5.17 135.84) = 100.000%  kept
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3159 (9.57, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.58, residual support = 26.9:
      O   HN    VAL  107 - HA    LYS+ 106   2.20 +/- 0.02 100.000% * 99.8992% (0.99  10.0   4.58  26.88) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  18.88 +/- 0.63   0.000% *  0.1008% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 2.71 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 = 135.8:
      O   HN    LYS+ 106 - QB    LYS+ 106   3.29 +/- 0.16  99.898% * 99.9120% (0.18  10.0   5.42 135.84) = 100.000%  kept
          HN    VAL   41 - QB    LYS+ 106  10.57 +/- 0.51   0.102% *  0.0880% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3161 (9.57, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 5.17, residual support = 26.9:
          HN    VAL  107 - QB    LYS+ 106   3.25 +/- 0.08  99.995% * 99.6109% (0.99   5.17  26.88) = 100.000%  kept
          HN    GLY   51 - QB    LYS+ 106  17.03 +/- 0.65   0.005% *  0.3891% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 5.95, residual support = 135.8:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.40 +/- 0.06  99.645% * 94.0497% (0.61  10.0 10.00   5.95 135.84) =  99.998%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.24 +/- 0.43   0.142% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 102 - QB    LYS+ 106  11.33 +/- 1.31   0.015% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+ 106   8.63 +/- 1.46   0.132% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+ 106   9.91 +/- 0.56   0.021% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 106  17.60 +/- 0.99   0.001% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 106  12.36 +/- 1.19   0.007% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 106  18.32 +/- 0.64   0.001% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106   9.44 +/- 0.64   0.030% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+ 106  14.06 +/- 0.61   0.003% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  14.81 +/- 0.55   0.002% *  0.0695% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  14.36 +/- 0.86   0.002% *  0.0431% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  22.81 +/- 1.18   0.000% *  0.1467% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3163 (1.03, 1.87, 37.27 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.73, residual support = 5.47:
          QG2   VAL  108 - QB    LYS+ 106   3.02 +/- 0.15  99.198% * 98.4932% (1.00   2.73   5.47) =  99.995%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.11 +/- 0.22   0.613% *  0.7082% (0.98   0.02   0.02) =   0.004%
          QD1   ILE  119 - QB    LYS+ 106   9.29 +/- 1.29   0.179% *  0.5521% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QB    LYS+ 106  14.33 +/- 0.87   0.010% *  0.2464% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3164 (1.16, 1.87, 37.27 ppm):
    6 chemical-shift based assignments, quality = 0.765, support = 4.55, residual support = 26.2:
          QG2   VAL  107 - QB    LYS+ 106   5.36 +/- 0.35  11.694% * 98.7224% (0.76   4.67  26.88) =  97.547%  kept
          HG13  ILE  103 - QB    LYS+ 106   4.47 +/- 0.53  38.684% *  0.5522% (1.00   0.02   0.02) =   1.805%  kept
          QG2   THR   94 - QB    LYS+ 106   4.25 +/- 0.50  49.310% *  0.1539% (0.28   0.02   0.02) =   0.641%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  10.40 +/- 1.11   0.264% *  0.2912% (0.53   0.02   0.02) =   0.006%
          HB3   LYS+ 112 - QB    LYS+ 106  14.17 +/- 0.51   0.030% *  0.1708% (0.31   0.02   0.02) =   0.000%
          QB    ALA   20 - QB    LYS+ 106  15.53 +/- 0.48   0.018% *  0.1095% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.133, support = 4.88, residual support = 101.4:
          HN    LYS+  81 - QG    LYS+  81   2.14 +/- 0.40  99.910% * 81.9465% (0.13   4.88 101.42) =  99.998%  kept
          HE3   TRP   27 - HG2   LYS+  33   9.26 +/- 1.35   0.034% *  2.4737% (0.98   0.02   0.02) =   0.001%
          QE    PHE   95 - HG2   LYS+ 106  10.23 +/- 1.05   0.024% *  0.8665% (0.34   0.02   0.02) =   0.000%
          HN    THR   23 - QG    LYS+  81   9.65 +/- 0.55   0.016% *  0.6357% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  13.16 +/- 1.01   0.003% *  1.1844% (0.47   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+  33  13.88 +/- 1.01   0.002% *  1.3278% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  15.22 +/- 1.23   0.002% *  1.5003% (0.59   0.02   0.02) =   0.000%
          QE    PHE   95 - QG    LYS+  81  14.32 +/- 1.17   0.003% *  0.6841% (0.27   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  15.90 +/- 0.94   0.001% *  1.4479% (0.57   0.02   0.02) =   0.000%
          QE    PHE   95 - HG2   LYS+  33  16.42 +/- 1.70   0.001% *  1.4288% (0.57   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  18.05 +/- 0.85   0.001% *  1.1430% (0.45   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+  33  17.23 +/- 1.99   0.001% *  0.4994% (0.20   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+ 106  17.27 +/- 1.68   0.001% *  0.3029% (0.12   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+ 106  21.12 +/- 1.08   0.000% *  0.8053% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  20.24 +/- 1.27   0.000% *  0.4256% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  21.25 +/- 1.19   0.000% *  0.7017% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  27.36 +/- 1.23   0.000% *  2.3873% (0.95   0.02   0.02) =   0.000%
          HN    LEU   67 - QG    LYS+  81  23.61 +/- 0.65   0.000% *  0.2391% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.271, support = 0.749, residual support = 1.5:
          HN    GLU-  79 - QG    LYS+  81   3.67 +/- 0.27  99.487% * 81.2907% (0.27   0.75   1.50) =  99.990%  kept
          HN    VAL   70 - HG2   LYS+  33  12.43 +/- 2.12   0.106% *  3.8965% (0.49   0.02   0.02) =   0.005%
          HN    THR   94 - HG2   LYS+ 106  10.64 +/- 1.01   0.291% *  0.9608% (0.12   0.02   0.02) =   0.003%
          HN    THR   94 - QG    LYS+  81  12.23 +/- 0.71   0.092% *  0.7585% (0.09   0.02   0.02) =   0.001%
          HN    VAL   70 - HG2   LYS+ 106  17.19 +/- 1.24   0.011% *  2.3631% (0.30   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+  33  20.80 +/- 0.90   0.003% *  4.5321% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+ 106  20.50 +/- 1.29   0.004% *  2.7486% (0.34   0.02   0.02) =   0.000%
          HN    THR   94 - HG2   LYS+  33  20.96 +/- 1.05   0.003% *  1.5842% (0.20   0.02   0.02) =   0.000%
          HN    VAL   70 - QG    LYS+  81  23.59 +/- 0.46   0.002% *  1.8656% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.66, residual support = 135.8:
      O   HA    LYS+ 106 - HG3   LYS+ 106   3.35 +/- 0.23  99.963% * 99.8764% (0.18  10.0   5.66 135.84) = 100.000%  kept
          HA    LYS+ 106 - HG3   LYS+ 102  13.38 +/- 1.23   0.029% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  65  17.62 +/- 1.15   0.006% *  0.0419% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  19.97 +/- 0.54   0.002% *  0.0635% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 4.3, residual support = 45.5:
        T HB2   PHE   95 - HB    VAL  107   2.50 +/- 0.77 100.000% *100.0000% (0.69 10.00   4.30  45.47) = 100.000%  kept
    Distance limit 3.14 A violated in 2 structures by 0.14 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.2, residual support = 58.2:
      O T QG2   VAL  107 - HB    VAL  107   2.13 +/- 0.01  99.815% * 99.7352% (0.72  10.0 10.00   3.20  58.23) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   6.87 +/- 1.32   0.168% *  0.0199% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    VAL  107  10.68 +/- 1.06   0.008% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB    VAL  107  10.25 +/- 0.71   0.009% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  16.28 +/- 0.63   0.001% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.63 +/- 0.89   0.000% *  0.0176% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3171 (1.10, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.62, residual support = 58.2:
      O T QG1   VAL  107 - HB    VAL  107   2.12 +/- 0.02  99.832% * 99.5954% (0.71  10.0 10.00   3.62  58.23) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   6.87 +/- 1.32   0.161% *  0.0226% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL  107  11.69 +/- 1.46   0.006% *  0.0849% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - HB    VAL  107  16.61 +/- 0.90   0.000% *  0.1779% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    VAL  107  16.29 +/- 1.97   0.001% *  0.0938% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.63 +/- 0.89   0.000% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3172 (0.59, 2.40, 36.05 ppm):
    7 chemical-shift based assignments, quality = 0.686, support = 0.542, residual support = 4.6:
          QD2   LEU  115 - HB    VAL  107   5.89 +/- 1.65  29.755% * 68.6529% (0.67   0.75   7.92) =  58.036%  kept
          QD1   LEU   63 - HB    VAL  107   4.83 +/- 1.15  58.953% * 24.8786% (0.71   0.26   0.02) =  41.669%  kept
          QD2   LEU   63 - HB    VAL  107   6.34 +/- 1.22  10.679% *  0.8891% (0.33   0.02   0.02) =   0.270%
          QD1   LEU  104 - HB    VAL  107  10.46 +/- 0.70   0.387% *  1.3623% (0.50   0.02   0.02) =   0.015%
          QD1   LEU   73 - HB    VAL  107  12.38 +/- 0.68   0.131% *  1.9439% (0.71   0.02   0.02) =   0.007%
          QD2   LEU   80 - HB    VAL  107  14.08 +/- 0.80   0.060% *  1.7786% (0.65   0.02   0.02) =   0.003%
          QG1   VAL   83 - HB    VAL  107  15.40 +/- 0.90   0.036% *  0.4945% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.30 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.83, residual support = 45.5:
          QD    PHE   95 - HB    VAL  107   3.22 +/- 0.56  99.956% * 99.8331% (0.63   3.83  45.47) = 100.000%  kept
          HN    ALA   47 - HB    VAL  107  12.64 +/- 0.68   0.044% *  0.1669% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.324, support = 0.0199, residual support = 2.42:
          QD    PHE   97 - HB    VAL  107   5.21 +/- 0.68  99.553% * 54.4328% (0.33   0.02   2.43) =  99.625%  kept
          HZ3   TRP   87 - HB    VAL  107  13.91 +/- 1.27   0.447% * 45.5672% (0.27   0.02   0.02) =   0.375%
    Distance limit 3.70 A violated in 18 structures by 1.51 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 = 58.2:
      O   HN    VAL  107 - HB    VAL  107   2.38 +/- 0.24  99.998% * 99.8992% (0.72  10.0   3.33  58.23) = 100.000%  kept
          HN    GLY   51 - HB    VAL  107  15.87 +/- 0.69   0.002% *  0.1008% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 3.24, residual support = 45.5:
          HN    PHE   95 - HB    VAL  107   3.82 +/- 0.44 100.000% *100.0000% (0.47   3.24  45.47) = 100.000%  kept
    Distance limit 4.07 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3177 (1.15, 1.09, 22.46 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 4.07, residual support = 58.2:
      O   QG2   VAL  107 - QG1   VAL  107   2.06 +/- 0.04  98.596% * 99.3136% (0.99  10.0  1.00   4.07  58.23) =  99.997%  kept
        T HG13  ILE  119 - QG1   VAL  107   5.00 +/- 0.97   1.319% *  0.1983% (0.20   1.0 10.00   0.02   0.02) =   0.003%
          HG2   LYS+ 121 - QG1   VAL  107   7.80 +/- 0.68   0.038% *  0.0967% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG1   VAL  107   9.26 +/- 0.67   0.013% *  0.0648% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   24   9.47 +/- 0.11   0.010% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   VAL   24   8.55 +/- 0.31   0.020% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG1   VAL  107  16.82 +/- 0.87   0.000% *  0.1755% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG1   VAL  107  14.87 +/- 0.70   0.001% *  0.0648% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG2   VAL   24  13.04 +/- 1.00   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   24  14.51 +/- 0.90   0.001% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   24  22.34 +/- 1.16   0.000% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   24  20.36 +/- 1.57   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3178 (2.39, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 3.62, residual support = 58.2:
      O T HB    VAL  107 - QG1   VAL  107   2.12 +/- 0.02  99.625% * 99.1597% (0.65  10.0 10.00   3.62  58.23) = 100.000%  kept
          HB2   GLN  116 - QG1   VAL  107   6.44 +/- 0.64   0.147% *  0.0268% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG2   VAL   24   6.61 +/- 0.54   0.124% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QG1   VAL  107   7.79 +/- 1.05   0.063% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL   24   9.16 +/- 1.02   0.021% *  0.0363% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG1   VAL  107  10.61 +/- 0.96   0.009% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL  107 - QG2   VAL   24  16.61 +/- 0.90   0.000% *  0.2357% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL   24   9.94 +/- 0.73   0.010% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG1   VAL  107  17.48 +/- 0.89   0.000% *  0.1280% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  19.52 +/- 0.81   0.000% *  0.1529% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  16.53 +/- 0.80   0.000% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 112 - QG2   VAL   24  21.68 +/- 1.78   0.000% *  0.0908% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL   24  17.05 +/- 0.92   0.000% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL   24  24.34 +/- 0.85   0.000% *  0.0064% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3179 (2.39, 1.15, 21.16 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.2, residual support = 58.2:
      O T HB    VAL  107 - QG2   VAL  107   2.13 +/- 0.01  99.777% * 99.2330% (0.65  10.0 10.00   3.20  58.23) = 100.000%  kept
        T QE    LYS+ 112 - QG2   VAL  107   7.39 +/- 1.52   0.121% *  0.3825% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL  107   7.20 +/- 0.71   0.080% *  0.0269% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL  107   8.99 +/- 0.81   0.022% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG2   VAL  107  16.21 +/- 0.91   0.001% *  0.1281% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL  107  19.56 +/- 0.81   0.000% *  0.1531% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  17.70 +/- 1.07   0.000% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3180 (2.01, 1.15, 21.16 ppm):
    12 chemical-shift based assignments, quality = 0.646, support = 0.986, residual support = 4.17:
        T QB    GLU- 114 - QG2   VAL  107   3.93 +/- 1.33  74.071% * 97.4510% (0.65 10.00   0.99   4.18) =  99.865%  kept
          HB2   LYS+ 111 - QG2   VAL  107   5.41 +/- 1.47  17.361% *  0.3025% (0.99  1.00   0.02   0.02) =   0.073%
        T HB    ILE  119 - QG2   VAL  107   6.96 +/- 1.10   8.283% *  0.5346% (0.18 10.00   0.02   0.02) =   0.061%
          HB2   GLN   17 - QG2   VAL  107  15.75 +/- 0.76   0.039% *  0.3052% (1.00  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG2   VAL  107  14.70 +/- 0.71   0.057% *  0.1728% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  107  15.42 +/- 1.52   0.040% *  0.2444% (0.80  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   VAL  107  16.00 +/- 0.91   0.032% *  0.3052% (1.00  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   VAL  107  14.85 +/- 2.03   0.053% *  0.1486% (0.49  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  107  18.04 +/- 0.60   0.015% *  0.1255% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   VAL  107  20.84 +/- 1.09   0.006% *  0.2887% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  107  16.47 +/- 0.51   0.026% *  0.0535% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  107  18.23 +/- 0.96   0.017% *  0.0680% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 10 structures by 1.16 A, kept.
 
    Peak 3181 (0.59, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.581, support = 1.74, residual support = 5.32:
          QD2   LEU  115 - QG1   VAL  107   4.00 +/- 1.36  13.913% * 60.3621% (0.92  1.00   2.55   7.92) =  60.021%  kept
        T QG1   VAL   83 - QG2   VAL   24   2.04 +/- 0.46  81.365% *  6.3590% (0.06 10.00   0.42   0.90) =  36.979%  kept
          QD2   LEU   80 - QG2   VAL   24   3.50 +/- 0.27   2.891% * 11.7947% (0.21  1.00   2.16   9.40) =   2.437%  kept
        T QD1   LEU   63 - QG1   VAL  107   4.37 +/- 0.93   1.363% *  5.0232% (0.98 10.00   0.02   0.02) =   0.489%
        T QD2   LEU   63 - QG1   VAL  107   5.37 +/- 1.10   0.391% *  2.2976% (0.45 10.00   0.02   0.02) =   0.064%
        T QD1   LEU   73 - QG2   VAL   24   6.74 +/- 0.33   0.059% *  1.1938% (0.23 10.00   0.02   0.02) =   0.005%
        T QD1   LEU  104 - QG1   VAL  107   8.77 +/- 0.60   0.012% *  3.5202% (0.69 10.00   0.02   0.02) =   0.003%
        T QD1   LEU   73 - QG1   VAL  107  11.60 +/- 0.58   0.002% *  5.0232% (0.98 10.00   0.02   0.02) =   0.001%
        T QG1   VAL   83 - QG1   VAL  107  14.22 +/- 0.79   0.001% *  1.2778% (0.25 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG2   VAL   24  14.32 +/- 0.85   0.001% *  1.1938% (0.23 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   24  14.60 +/- 1.11   0.001% *  0.8366% (0.16 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL  107  13.20 +/- 0.72   0.001% *  0.4596% (0.90  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   63 - QG2   VAL   24  15.03 +/- 0.71   0.000% *  0.5460% (0.11 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   24  18.14 +/- 1.44   0.000% *  0.1124% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3182 (0.46, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 1.08, residual support = 7.91:
          QD1   LEU  115 - QG2   VAL  107   4.43 +/- 1.50  96.685% * 97.2891% (0.38   1.08   7.92) =  99.905%  kept
          QG1   VAL   75 - QG2   VAL  107   9.79 +/- 0.56   3.315% *  2.7109% (0.57   0.02   0.02) =   0.095%
    Distance limit 3.54 A violated in 10 structures by 1.11 A, kept.
 
    Peak 3183 (0.70, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.88, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107   9.03 +/- 1.13  91.026% * 58.0948% (0.90   0.02   0.02) =  93.361%  kept
          QG2   ILE   19 - QG2   VAL  107  13.55 +/- 0.56   8.974% * 41.9052% (0.65   0.02   0.02) =   6.639%  kept
    Distance limit 3.23 A violated in 20 structures by 5.65 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 21.16 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.63, residual support = 58.2:
      O T HA    VAL  107 - QG2   VAL  107   2.67 +/- 0.16  98.389% * 99.4123% (0.45  10.0 10.00   3.63  58.23) =  99.999%  kept
          HA    LYS+ 111 - QG2   VAL  107   5.79 +/- 1.34   1.453% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - QG2   VAL  107   9.79 +/- 1.44   0.100% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   VAL  107   9.61 +/- 0.94   0.056% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   VAL  107  15.79 +/- 0.65   0.003% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3185 (2.07, 1.09, 22.46 ppm):
    20 chemical-shift based assignments, quality = 0.385, support = 0.0199, residual support = 0.913:
        T HB    ILE  119 - QG1   VAL  107   5.74 +/- 1.00  40.652% * 28.3613% (0.25 10.00   0.02   0.02) =  72.167%  kept
          HB2   PRO   93 - QG1   VAL  107   6.47 +/- 1.91  34.881% *  9.5003% (0.84  1.00   0.02   0.02) =  20.742%  kept
          HB    VAL  108 - QG1   VAL  107   5.95 +/- 0.31  18.258% *  5.0993% (0.45  1.00   0.02  15.34) =   5.828%  kept
          HG2   PRO   58 - QG1   VAL  107   9.28 +/- 1.03   1.843% *  7.3579% (0.65  1.00   0.02   0.02) =   0.849%  kept
          HG3   PRO   52 - QG1   VAL  107  11.56 +/- 1.32   0.356% *  7.3579% (0.65  1.00   0.02   0.02) =   0.164%
          HB2   GLN   30 - QG2   VAL   24   8.17 +/- 0.74   3.516% *  0.6740% (0.06  1.00   0.02   0.02) =   0.148%
          HB2   ARG+  54 - QG1   VAL  107  13.06 +/- 0.64   0.162% *  5.9841% (0.53  1.00   0.02   0.02) =   0.061%
          HB2   PRO   93 - QG2   VAL   24  16.03 +/- 0.73   0.052% *  2.2578% (0.20  1.00   0.02   0.02) =   0.007%
          HB2   GLN   30 - QG1   VAL  107  16.70 +/- 0.74   0.039% *  2.8361% (0.25  1.00   0.02   0.02) =   0.007%
          HB2   GLU-  14 - QG1   VAL  107  20.66 +/- 1.00   0.011% *  8.2592% (0.73  1.00   0.02   0.02) =   0.006%
          HB    VAL  108 - QG2   VAL   24  15.40 +/- 1.32   0.070% *  1.2119% (0.11  1.00   0.02   0.02) =   0.005%
          HB3   GLU- 100 - QG1   VAL  107  17.14 +/- 0.72   0.035% *  2.2509% (0.20  1.00   0.02   0.02) =   0.005%
          HB2   GLU-  14 - QG2   VAL   24  17.64 +/- 1.12   0.028% *  1.9628% (0.17  1.00   0.02   0.02) =   0.003%
          HG3   PRO   52 - QG2   VAL   24  18.13 +/- 1.26   0.026% *  1.7486% (0.15  1.00   0.02   0.02) =   0.003%
          HB3   GLU- 100 - QG2   VAL   24  16.63 +/- 0.60   0.041% *  0.5349% (0.05  1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - QG1   VAL  107  28.22 +/- 1.31   0.002% *  8.6923% (0.76  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - QG2   VAL   24  22.57 +/- 0.78   0.007% *  1.7486% (0.15  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - QG2   VAL   24  22.11 +/- 1.16   0.008% *  1.4221% (0.13  1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - QG2   VAL   24  24.64 +/- 2.02   0.004% *  2.0658% (0.18  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - QG2   VAL   24  22.15 +/- 1.21   0.008% *  0.6740% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 16 structures by 1.22 A, eliminated.
    Peak unassigned.
 
    Peak 3186 (4.14, 1.09, 22.46 ppm):
    16 chemical-shift based assignments, quality = 0.894, support = 1.36, residual support = 7.6:
          HA    LEU  115 - QG1   VAL  107   2.26 +/- 0.83  91.042% * 33.4675% (0.90   1.29   7.92) =  89.758%  kept
          HA    GLU- 114 - QG1   VAL  107   4.33 +/- 0.82   6.181% * 51.7742% (0.92   1.94   4.18) =   9.426%  kept
          HA    ASN   28 - QG2   VAL   24   4.79 +/- 0.19   2.353% * 11.7449% (0.21   1.97  11.91) =   0.814%  kept
          HA    THR   26 - QG2   VAL   24   6.30 +/- 0.13   0.394% *  0.0832% (0.14   0.02   2.66) =   0.001%
          HA    ARG+  54 - QG1   VAL  107  12.02 +/- 0.61   0.011% *  0.1969% (0.34   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG1   VAL  107  15.52 +/- 1.01   0.002% *  0.5720% (0.99   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   VAL   24  14.21 +/- 2.52   0.006% *  0.1359% (0.24   0.02   0.02) =   0.000%
          HA    ALA   34 - QG2   VAL   24  13.21 +/- 0.32   0.005% *  0.1344% (0.23   0.02   0.02) =   0.000%
          HA    ASN   28 - QG1   VAL  107  17.76 +/- 0.85   0.001% *  0.5006% (0.87   0.02   0.02) =   0.000%
          HA    ALA   34 - QG1   VAL  107  17.53 +/- 0.65   0.001% *  0.5657% (0.98   0.02   0.02) =   0.000%
          HA    ALA  124 - QG1   VAL  107  13.48 +/- 0.52   0.003% *  0.1439% (0.25   0.02   0.02) =   0.000%
          HA    THR   26 - QG1   VAL  107  20.31 +/- 0.61   0.000% *  0.3500% (0.61   0.02   0.02) =   0.000%
          HA    LEU  115 - QG2   VAL   24  19.99 +/- 0.90   0.000% *  0.1230% (0.21   0.02   0.02) =   0.000%
          HA    GLU- 114 - QG2   VAL   24  22.31 +/- 1.28   0.000% *  0.1266% (0.22   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG2   VAL   24  20.61 +/- 1.23   0.000% *  0.0468% (0.08   0.02   0.02) =   0.000%
          HA    ALA  124 - QG2   VAL   24  27.06 +/- 1.46   0.000% *  0.0342% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3187 (4.50, 1.09, 22.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 4.31, residual support = 58.2:
      O T HA    VAL  107 - QG1   VAL  107   2.18 +/- 0.26  99.413% * 99.0400% (0.45  10.0 10.00   4.31  58.23) = 100.000%  kept
          HA    TRP   27 - QG2   VAL   24   5.77 +/- 0.20   0.396% *  0.0439% (0.20   1.0  1.00   0.02  25.95) =   0.000%
          HA    LYS+ 111 - QG1   VAL  107   6.56 +/- 0.55   0.169% *  0.0754% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG1   VAL  107  11.37 +/- 1.03   0.010% *  0.1916% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG1   VAL  107  11.65 +/- 1.55   0.009% *  0.1340% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG1   VAL  107  16.37 +/- 0.59   0.001% *  0.1845% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL  107 - QG2   VAL   24  17.44 +/- 0.85   0.000% *  0.2354% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG2   VAL   24  15.25 +/- 0.66   0.001% *  0.0318% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   VAL   24  20.48 +/- 0.74   0.000% *  0.0455% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QG2   VAL   24  21.94 +/- 0.88   0.000% *  0.0179% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3188 (7.17, 1.09, 22.46 ppm):
    8 chemical-shift based assignments, quality = 0.151, support = 2.86, residual support = 23.6:
          HD1   TRP   27 - QG2   VAL   24   2.46 +/- 1.14  86.657% * 54.1772% (0.12   3.11  25.95) =  90.443%  kept
          QD    PHE   59 - QG1   VAL  107   4.14 +/- 1.00  13.297% * 37.3029% (0.49   0.51   1.31) =   9.556%  kept
          HH2   TRP   49 - QG1   VAL  107  14.03 +/- 2.27   0.021% *  2.9048% (0.97   0.02   0.02) =   0.001%
          HE21  GLN   30 - QG2   VAL   24  10.43 +/- 0.47   0.020% *  0.5975% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   30 - QG1   VAL  107  15.80 +/- 0.89   0.002% *  2.5141% (0.84   0.02   0.02) =   0.000%
          HD1   TRP   27 - QG1   VAL  107  16.27 +/- 0.81   0.002% *  1.4651% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   VAL   24  19.32 +/- 1.56   0.001% *  0.6903% (0.23   0.02   0.02) =   0.000%
          QD    PHE   59 - QG2   VAL   24  17.43 +/- 1.31   0.001% *  0.3482% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3189 (7.02, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.85, residual support = 45.5:
          QD    PHE   95 - QG2   VAL  107   3.12 +/- 0.72  99.114% * 99.4862% (0.95   3.85  45.47) =  99.998%  kept
          HN    ALA   47 - QG2   VAL  107   9.95 +/- 0.90   0.251% *  0.4180% (0.76   0.02   0.02) =   0.001%
          QE    PHE   72 - QG2   VAL  107   8.75 +/- 1.82   0.636% *  0.0958% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 1 structures by 0.16 A, kept.
 
    Peak 3190 (8.40, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 1.47, residual support = 7.77:
          HN    LEU  115 - QG2   VAL  107   4.11 +/- 1.21  85.689% * 81.4478% (0.90   1.50   7.92) =  97.283%  kept
          HN    PHE   97 - QG2   VAL  107   7.50 +/- 0.87  10.632% * 18.2154% (0.90   0.34   2.43) =   2.699%  kept
          HN    ASP- 113 - QG2   VAL  107   6.82 +/- 1.14   3.679% *  0.3368% (0.28   0.02   0.02) =   0.017%
    Distance limit 3.76 A violated in 3 structures by 0.41 A, kept.
 
    Peak 3191 (9.15, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 3.64, residual support = 15.3:
          HN    VAL  108 - QG2   VAL  107   3.43 +/- 0.34  99.398% * 99.3374% (0.57   3.64  15.34) =  99.996%  kept
          HN    VAL   43 - QG2   VAL  107   8.92 +/- 0.67   0.602% *  0.6626% (0.69   0.02   0.02) =   0.004%
    Distance limit 3.33 A violated in 2 structures by 0.13 A, kept.
 
    Peak 3192 (9.57, 1.09, 22.46 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.84, residual support = 58.2:
          HN    VAL  107 - QG1   VAL  107   3.17 +/- 0.37  99.968% * 99.2323% (0.99   3.84  58.23) = 100.000%  kept
          HN    GLY   51 - QG1   VAL  107  14.09 +/- 1.01   0.018% *  0.5211% (1.00   0.02   0.02) =   0.000%
          HN    VAL  107 - QG2   VAL   24  15.39 +/- 0.83   0.011% *  0.1227% (0.24   0.02   0.02) =   0.000%
          HN    GLY   51 - QG2   VAL   24  18.71 +/- 0.89   0.003% *  0.1238% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3193 (9.18, 1.09, 22.46 ppm):
    2 chemical-shift based assignments, quality = 0.646, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG1   VAL  107   8.95 +/- 0.57  73.954% * 80.7980% (0.69   0.02   0.02) =  92.277%  kept
          HN    VAL   43 - QG2   VAL   24  10.78 +/- 0.57  26.046% * 19.2020% (0.16   0.02   0.02) =   7.723%  kept
    Distance limit 3.39 A violated in 20 structures by 5.09 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 = 6.41:
      O   HN    ALA  110 - HA2   GLY  109   3.13 +/- 0.37  99.938% * 99.9027% (0.99  10.0   2.20   6.41) = 100.000%  kept
          HN    PHE   45 - HA2   GLY  109  11.09 +/- 0.81   0.062% *  0.0973% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3195 (8.62, 3.67, 43.34 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 2.2, residual support = 9.36:
      O   HN    GLY  109 - HA2   GLY  109   2.60 +/- 0.28  99.923% * 99.5895% (0.53  10.0   2.20   9.36) = 100.000%  kept
          HN    GLN   90 - HA2   GLY  109   9.51 +/- 1.61   0.076% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA2   GLY  109  18.86 +/- 0.73   0.001% *  0.1893% (1.00   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY  109  19.61 +/- 1.08   0.001% *  0.0421% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3196 (9.15, 2.05, 32.95 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.08, residual support = 62.1:
      O   HN    VAL  108 - HB    VAL  108   2.99 +/- 0.47  99.937% * 99.8788% (0.57  10.0   4.08  62.13) = 100.000%  kept
          HN    VAL   43 - HB    VAL  108  11.15 +/- 0.71   0.063% *  0.1212% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.135, support = 3.09, residual support = 7.43:
          HN    GLY  109 - QG1   VAL  108   2.51 +/- 0.32  97.242% * 89.7984% (0.14   3.09   7.44) =  99.883%  kept
          HN    GLN   90 - QG1   VAL  108   6.28 +/- 1.61   2.746% *  3.7235% (0.87   0.02   0.02) =   0.117%
          HN    ILE  103 - QG1   VAL  108  12.76 +/- 0.63   0.007% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    SER   82 - QG1   VAL  108  14.31 +/- 0.89   0.004% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    GLY   16 - QG1   VAL  108  20.28 +/- 0.79   0.000% *  0.5809% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3198 (9.15, 0.89, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.52, residual support = 62.1:
          HN    VAL  108 - QG1   VAL  108   3.61 +/- 0.04  99.858% * 99.4664% (0.57   4.52  62.13) =  99.999%  kept
          HN    VAL   43 - QG1   VAL  108  10.87 +/- 0.55   0.142% *  0.5336% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3199 (9.15, 1.03, 20.80 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.08, residual support = 62.1:
          HN    VAL  108 - QG2   VAL  108   2.57 +/- 0.62  99.801% * 99.4087% (0.57   4.08  62.13) =  99.999%  kept
          HN    VAL   43 - QG2   VAL  108   9.06 +/- 0.95   0.199% *  0.5913% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.19 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3200 (8.65, 1.03, 20.80 ppm):
    3 chemical-shift based assignments, quality = 0.794, support = 0.02, residual support = 0.02:
          HN    SER  117 - QG2   VAL  108   9.89 +/- 1.03  86.063% * 32.6470% (0.80   0.02   0.02) =  87.096%  kept
          HN    SER   82 - QG2   VAL  108  14.61 +/- 1.38  11.648% * 28.0060% (0.69   0.02   0.02) =  10.112%  kept
          HN    GLY   16 - QG2   VAL  108  18.69 +/- 1.09   2.288% * 39.3470% (0.97   0.02   0.02) =   2.791%  kept
    Distance limit 4.20 A violated in 20 structures by 5.43 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  15.29 +/- 0.76 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.77 A violated in 20 structures by 11.52 A, eliminated.
    Peak unassigned.
 
    Peak 3202 (5.60, 1.03, 20.80 ppm):
    1 chemical-shift based assignment, quality = 0.278, support = 1.42, residual support = 5.47:
          HA    LYS+ 106 - QG2   VAL  108   4.68 +/- 0.11 100.000% *100.0000% (0.28   1.42   5.47) = 100.000%  kept
    Distance limit 3.92 A violated in 1 structures by 0.77 A, kept.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 6.56, residual support = 315.7:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.41 +/- 0.21  99.380% * 98.2964% (0.69  10.0  1.00   6.56 315.72) = 100.000%  kept
          HB2   LYS+ 112 - HB3   LYS+ 111   6.36 +/- 0.57   0.535% *  0.0251% (0.18   1.0  1.00   0.02  28.03) =   0.000%
          HB3   PRO   93 - HB3   LYS+ 111   8.52 +/- 0.91   0.065% *  0.1146% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB3   LYS+ 111  11.87 +/- 2.20   0.010% *  0.3568% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+ 111  13.54 +/- 1.75   0.004% *  0.1381% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 111  13.83 +/- 1.59   0.003% *  0.1428% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 111  15.35 +/- 0.93   0.002% *  0.1195% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 111  17.83 +/- 1.07   0.001% *  0.1403% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  17.97 +/- 2.14   0.001% *  0.1321% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  22.70 +/- 2.52   0.000% *  0.1937% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  21.40 +/- 1.25   0.000% *  0.1283% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  22.71 +/- 2.41   0.000% *  0.0588% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  26.25 +/- 2.33   0.000% *  0.1094% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  30.00 +/- 2.45   0.000% *  0.0442% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3204 (1.16, 1.53, 33.52 ppm):
    6 chemical-shift based assignments, quality = 0.332, support = 3.21, residual support = 26.6:
          HB3   LYS+ 112 - HB3   LYS+ 111   6.62 +/- 1.32  20.789% * 87.4544% (0.31  1.00   3.39  28.03) =  94.727%  kept
          QG2   VAL  107 - HB3   LYS+ 111   4.55 +/- 2.15  78.754% *  1.2785% (0.76  1.00   0.02   0.02) =   5.246%  kept
        T HG2   LYS+ 121 - HB3   LYS+ 111  13.93 +/- 1.31   0.035% *  8.8017% (0.53 10.00   0.02   0.02) =   0.016%
          QG2   THR   94 - HB3   LYS+ 111   9.21 +/- 1.32   0.403% *  0.4651% (0.28  1.00   0.02   0.02) =   0.010%
          HG13  ILE  103 - HB3   LYS+ 111  15.77 +/- 2.18   0.016% *  1.6692% (1.00  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HB3   LYS+ 111  20.98 +/- 0.82   0.003% *  0.3311% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 2 structures by 0.54 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.96, residual support = 315.7:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.95 +/- 0.14  98.620% * 99.9336% (0.97  10.0   6.96 315.72) = 100.000%  kept
          HA    VAL  108 - HB3   LYS+ 111   6.81 +/- 1.67   1.337% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   LYS+ 111  10.97 +/- 1.09   0.043% *  0.0504% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3206 (7.57, 1.53, 33.52 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.5, residual support = 315.7:
      O   HN    LYS+ 111 - HB3   LYS+ 111   2.55 +/- 0.45  99.945% * 99.6823% (0.73  10.0   5.50 315.72) = 100.000%  kept
          HN    ILE   56 - HB3   LYS+ 111   9.89 +/- 0.84   0.051% *  0.0468% (0.34   1.0   0.02   2.22) =   0.000%
          HN    LEU   63 - HB3   LYS+ 111  14.22 +/- 1.39   0.004% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LYS+ 111  20.35 +/- 1.05   0.001% *  0.0997% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  33.35 +/- 2.26   0.000% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3207 (7.58, 2.02, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 315.7:
      O   HN    LYS+ 111 - HB2   LYS+ 111   3.25 +/- 0.51  99.326% * 99.5678% (1.00  10.0   7.06 315.72) = 100.000%  kept
          HN    ILE   56 - HB2   LYS+ 111  10.36 +/- 0.74   0.134% *  0.0834% (0.84   1.0   0.02   2.22) =   0.000%
          HE21  GLN   32 - HG3   GLN   30  10.15 +/- 1.06   0.178% *  0.0146% (0.15   1.0   0.02   1.61) =   0.000%
          HN    LEU   63 - HB2   LYS+ 111  14.80 +/- 1.26   0.018% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   8.81 +/- 0.63   0.328% *  0.0031% (0.03   1.0   0.02   8.66) =   0.000%
          HN    ALA   84 - HG3   GLN   30  16.08 +/- 0.80   0.009% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LYS+ 111  21.30 +/- 0.98   0.002% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   GLN   30  18.97 +/- 0.79   0.003% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  24.38 +/- 1.09   0.001% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  25.80 +/- 1.48   0.001% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  26.05 +/- 1.69   0.001% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  34.29 +/- 1.79   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 315.7:
          HN    LYS+ 111 - HG2   LYS+ 111   3.79 +/- 0.47  99.669% * 94.2741% (0.18   6.52 315.72) =  99.997%  kept
          HN    ILE   56 - HG2   LYS+ 111  11.12 +/- 1.16   0.204% *  0.8044% (0.49   0.02   2.22) =   0.002%
          QE    PHE   60 - HG2   LYS+ 111  14.60 +/- 2.64   0.087% *  0.5100% (0.31   0.02   0.02) =   0.000%
          HN    LEU   63 - HG2   LYS+ 111  16.06 +/- 1.38   0.025% *  1.0023% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+ 111  20.41 +/- 3.04   0.009% *  1.4820% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+ 111  25.68 +/- 2.04   0.001% *  1.6379% (0.99   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+ 111  20.56 +/- 1.26   0.005% *  0.2894% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 6.55, residual support = 315.7:
          HN    LYS+ 111 - HG3   LYS+ 111   3.31 +/- 0.59  99.442% * 98.0226% (0.65   6.55 315.72) =  99.999%  kept
          HN    ILE   56 - HG3   LYS+ 111  10.32 +/- 1.35   0.194% *  0.4463% (0.97   0.02   2.22) =   0.001%
          HN    LEU   63 - HG3   LYS+ 111  15.78 +/- 1.14   0.015% *  0.4614% (1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HG2   LYS+  74  11.40 +/- 1.18   0.123% *  0.0493% (0.11   0.02   0.02) =   0.000%
          HN    ILE   56 - HG2   LYS+  74  12.55 +/- 1.03   0.058% *  0.0477% (0.10   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG3   LYS+ 111  20.51 +/- 3.03   0.014% *  0.1736% (0.38   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+  74  12.50 +/- 0.72   0.056% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+  74  13.69 +/- 0.57   0.033% *  0.0280% (0.06   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+  74  12.86 +/- 0.70   0.046% *  0.0185% (0.04   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   LYS+ 111  20.43 +/- 1.32   0.002% *  0.2992% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG2   LYS+  74  16.15 +/- 1.01   0.012% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   LYS+ 111  25.71 +/- 1.74   0.001% *  0.2618% (0.57   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  21.91 +/- 1.22   0.002% *  0.0123% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  34.42 +/- 1.85   0.000% *  0.1153% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3210 (8.52, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 0.0856, support = 5.67, residual support = 31.8:
          HN    VAL   75 - HG2   LYS+  74   2.91 +/- 0.60  99.882% * 92.7485% (0.09   5.67  31.84) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.13 +/- 1.05   0.114% *  0.4047% (0.11   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 111  18.43 +/- 0.90   0.003% *  3.0596% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  20.60 +/- 1.18   0.002% *  3.7871% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.758, support = 0.828, residual support = 2.52:
        T HB2   LEU  115 - HA    LYS+ 112   2.90 +/- 0.65  92.719% * 68.4220% (0.76 10.00   0.75   2.24) =  98.342%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.30 +/- 0.39   4.613% * 15.3965% (0.18  1.00   7.36  28.03) =   1.101%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.59 +/- 0.52   2.351% * 15.2647% (0.73  1.00   1.76   1.19) =   0.556%  kept
          HG3   PRO   58 - HA    LYS+ 112   8.92 +/- 1.98   0.308% *  0.1912% (0.80  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    LYS+ 112  20.33 +/- 3.03   0.002% *  0.2071% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LYS+ 112  17.19 +/- 1.45   0.003% *  0.0896% (0.38  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 112  22.67 +/- 1.31   0.001% *  0.1912% (0.80  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LYS+ 112  18.84 +/- 1.77   0.002% *  0.0418% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 112  21.95 +/- 1.69   0.001% *  0.0532% (0.22  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  22.58 +/- 1.47   0.001% *  0.0532% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 112  30.99 +/- 1.39   0.000% *  0.0896% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 1.82, residual support = 8.56:
        T QD1   ILE   56 - HA    LYS+ 112   3.77 +/- 1.30  99.436% * 99.7143% (0.84 10.00   1.82   8.56) = 100.000%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  14.27 +/- 0.63   0.188% *  0.1211% (0.92  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+ 112  12.01 +/- 0.86   0.332% *  0.0365% (0.28  1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HA    LYS+ 112  17.66 +/- 1.37   0.041% *  0.0743% (0.57  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 112  25.98 +/- 1.57   0.003% *  0.0539% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 6 structures by 0.77 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.71, residual support = 3.4:
          QD    PHE   55 - HA    LYS+ 112   4.45 +/- 0.68  97.090% * 96.9379% (0.95   1.71   3.40) =  99.979%  kept
          QE    PHE   95 - HA    LYS+ 112   9.22 +/- 1.55   2.833% *  0.6803% (0.57   0.02   0.02) =   0.020%
          HN    LEU   67 - HA    LYS+ 112  16.55 +/- 1.49   0.063% *  0.2378% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   27 - HA    LYS+ 112  23.32 +/- 1.42   0.007% *  1.1778% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - HA    LYS+ 112  25.74 +/- 1.32   0.003% *  0.6322% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+ 112  25.24 +/- 1.21   0.004% *  0.3341% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 9 structures by 0.92 A, kept.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.75, residual support = 232.1:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.80 +/- 0.06  99.985% * 99.7200% (0.92  10.0   5.75 232.12) = 100.000%  kept
          HN    MET   92 - HA    LYS+ 112  13.46 +/- 1.56   0.012% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HA    LYS+ 112  16.35 +/- 1.20   0.003% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HA    LYS+ 112  20.43 +/- 1.23   0.001% *  0.0937% (0.87   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  38.66 +/- 2.02   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3215 (8.51, 0.36, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.23, residual support = 232.1:
          HN    LYS+ 112 - HG2   LYS+ 112   3.55 +/- 0.73  99.993% * 98.9778% (0.41   6.23 232.12) = 100.000%  kept
          HN    ASP-  78 - HG2   LYS+ 112  22.60 +/- 1.81   0.002% *  0.5908% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG2   LYS+ 112  19.72 +/- 1.85   0.005% *  0.2386% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG2   LYS+ 112  40.26 +/- 2.45   0.000% *  0.1928% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.758, support = 0.02, residual support = 0.02:
          QE    PHE   59 - HG2   LYS+ 112   8.25 +/- 1.61  49.140% * 30.2011% (0.90   0.02   0.02) =  62.332%  kept
          HN    PHE   59 - HG2   LYS+ 112   8.71 +/- 2.13  44.817% * 17.7173% (0.53   0.02   0.02) =  33.350%  kept
          QD    PHE   60 - HG2   LYS+ 112  12.01 +/- 1.85   5.238% * 15.0977% (0.45   0.02   0.02) =   3.322%  kept
          HN    LYS+  66 - HG2   LYS+ 112  16.85 +/- 1.89   0.753% * 31.0863% (0.92   0.02   0.02) =   0.983%  kept
          HN    LYS+  81 - HG2   LYS+ 112  26.65 +/- 1.85   0.052% *  5.8976% (0.18   0.02   0.02) =   0.013%
    Distance limit 3.98 A violated in 19 structures by 3.13 A, eliminated.
    Peak unassigned.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.58, residual support = 232.1:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.52 +/- 0.45  99.979% * 93.9398% (0.20  10.0 10.00   4.58 232.12) =  99.999%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  11.92 +/- 1.89   0.018% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   96 - HG2   LYS+ 112  19.71 +/- 1.89   0.001% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG2   LYS+ 112  17.88 +/- 1.65   0.002% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG2   LYS+ 112  25.99 +/- 1.44   0.000% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG2   LYS+ 112  34.42 +/- 2.15   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  36.47 +/- 2.51   0.000% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3218 (2.45, 1.05, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.65, residual support = 232.1:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.85 +/- 0.43  99.975% * 93.9398% (0.20  10.0 10.00   4.65 232.12) =  99.999%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  12.53 +/- 1.94   0.021% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   96 - HG3   LYS+ 112  19.92 +/- 1.60   0.001% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   LYS+ 112  18.02 +/- 1.39   0.002% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   LYS+ 112  26.04 +/- 1.14   0.000% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG3   LYS+ 112  34.73 +/- 1.94   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG3   LYS+ 112  36.89 +/- 2.14   0.000% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3219 (7.36, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.483, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HG3   LYS+ 112  11.41 +/- 1.90  85.145% *  6.9459% (0.28   0.02   0.02) =  65.297%  kept
          HD1   TRP   49 - HG3   LYS+ 112  17.24 +/- 1.31   8.904% * 24.1093% (0.97   0.02   0.02) =  23.702%  kept
          HN    LEU   67 - HG3   LYS+ 112  18.86 +/- 2.09   5.076% * 17.1603% (0.69   0.02   0.02) =   9.617%  kept
          HD2   HIS   22 - HG3   LYS+ 112  31.15 +/- 1.83   0.237% * 24.9820% (1.00   0.02   0.02) =   0.654%  kept
          HN    THR   23 - HG3   LYS+ 112  27.62 +/- 1.81   0.489% *  7.7106% (0.31   0.02   0.02) =   0.416%
          HD21  ASN   35 - HG3   LYS+ 112  33.95 +/- 2.24   0.149% * 19.0919% (0.76   0.02   0.02) =   0.315%
    Distance limit 4.12 A violated in 20 structures by 6.96 A, eliminated.
    Peak unassigned.
 
    Peak 3220 (8.51, 1.05, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.94, residual support = 232.1:
          HN    LYS+ 112 - HG3   LYS+ 112   3.31 +/- 0.42  99.995% * 98.9284% (0.41   5.94 232.12) = 100.000%  kept
          HN    ASP-  78 - HG3   LYS+ 112  22.68 +/- 1.64   0.001% *  0.6194% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 112  19.98 +/- 1.76   0.003% *  0.2501% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 112  40.79 +/- 2.48   0.000% *  0.2021% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.78, residual support = 232.1:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.37 +/- 0.16  99.990% * 95.1769% (0.20  10.0  1.00   3.78 232.12) = 100.000%  kept
          HB3   ASP-  62 - HD2   LYS+ 112  12.39 +/- 2.12   0.009% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HD2   LYS+ 112  20.62 +/- 1.46   0.000% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD2   LYS+ 112  18.50 +/- 1.56   0.001% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD2   LYS+ 112  26.74 +/- 1.35   0.000% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD2   LYS+ 112  35.16 +/- 2.02   0.000% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  37.30 +/- 2.23   0.000% *  0.2156% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3222 (0.36, 1.11, 29.98 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.53, residual support = 232.1:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.63 +/- 0.18  99.990% * 99.7845% (0.85  10.0   5.53 232.12) = 100.000%  kept
          QB    ALA   47 - HD3   LYS+ 112  13.98 +/- 1.61   0.007% *  0.1053% (0.89   1.0   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD3   LYS+ 112  15.72 +/- 1.54   0.003% *  0.1103% (0.94   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 2.96, residual support = 232.1:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.36 +/- 0.15  99.988% * 98.0934% (0.19  10.0   2.96 232.12) = 100.000%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  11.84 +/- 1.89   0.011% *  0.4913% (0.94   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HD3   LYS+ 112  20.39 +/- 1.47   0.000% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD3   LYS+ 112  18.63 +/- 1.71   0.001% *  0.0981% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD3   LYS+ 112  26.81 +/- 1.60   0.000% *  0.4140% (0.79   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD3   LYS+ 112  35.03 +/- 2.12   0.000% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  36.93 +/- 2.47   0.000% *  0.2222% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 4.58, residual support = 232.1:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.52 +/- 0.45  99.877% * 99.5374% (0.75  10.0 10.00   4.58 232.12) = 100.000%  kept
        T HG2   LYS+ 112 - HB3   ASP-  62  11.92 +/- 1.89   0.018% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   47 - QE    LYS+ 112  11.77 +/- 1.60   0.025% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - QE    LYS+ 112  13.57 +/- 1.80   0.016% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   ASP-  62   9.34 +/- 0.72   0.058% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   ASP-  62  14.37 +/- 0.86   0.005% *  0.0215% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.439, support = 1.45, residual support = 8.55:
          QD1   ILE   56 - QE    LYS+ 112   4.42 +/- 1.89  77.487% * 88.7731% (0.44   1.45   8.56) =  99.916%  kept
          QD1   ILE   56 - HB3   ASP-  62   6.89 +/- 0.60  17.527% *  0.2499% (0.09   0.02   0.02) =   0.064%
          QG2   VAL   18 - HB3   ASP-  62   8.72 +/- 0.98   3.539% *  0.1952% (0.07   0.02   0.02) =   0.010%
          QG2   THR   46 - QE    LYS+ 112  13.01 +/- 2.15   0.186% *  0.7164% (0.26   0.02   0.02) =   0.002%
          QD2   LEU   73 - HB3   ASP-  62  12.86 +/- 0.60   0.338% *  0.3803% (0.14   0.02   0.02) =   0.002%
          QG2   VAL   18 - QE    LYS+ 112  13.71 +/- 2.01   0.118% *  0.9543% (0.34   0.02   0.02) =   0.002%
          QG1   VAL   43 - QE    LYS+ 112  16.29 +/- 1.67   0.054% *  1.5016% (0.54   0.02   0.02) =   0.001%
          QD2   LEU   73 - QE    LYS+ 112  16.99 +/- 2.05   0.043% *  1.8587% (0.67   0.02   0.02) =   0.001%
          QG1   VAL   43 - HB3   ASP-  62  14.00 +/- 0.58   0.214% *  0.3072% (0.11   0.02   0.02) =   0.001%
          QG2   THR   46 - HB3   ASP-  62  12.44 +/- 1.29   0.373% *  0.1466% (0.05   0.02   0.02) =   0.001%
          QG1   VAL   41 - HB3   ASP-  62  16.27 +/- 0.75   0.090% *  0.3967% (0.14   0.02   0.02) =   0.001%
          QG1   VAL   41 - QE    LYS+ 112  19.54 +/- 1.72   0.018% *  1.9388% (0.70   0.02   0.02) =   0.000%
          HG    LEU   31 - QE    LYS+ 112  25.08 +/- 2.34   0.004% *  2.1428% (0.77   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   ASP-  62  22.25 +/- 0.94   0.011% *  0.4384% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 10 structures by 1.27 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.806, support = 4.65, residual support = 232.1:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.85 +/- 0.43  91.521% * 98.8386% (0.81  10.0 10.00   4.65 232.12) =  99.998%  kept
          HG    LEU   63 - HB3   ASP-  62   4.90 +/- 0.89   8.350% *  0.0188% (0.15   1.0  1.00   0.02  42.42) =   0.002%
          HG    LEU   63 - QE    LYS+ 112  11.54 +/- 2.44   0.053% *  0.0918% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB3   ASP-  62  12.53 +/- 1.94   0.018% *  0.2022% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    LYS+ 112  11.01 +/- 0.85   0.040% *  0.0255% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QE    LYS+ 112  21.68 +/- 1.78   0.001% *  0.7827% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  13.65 +/- 0.81   0.010% *  0.0052% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  18.10 +/- 1.68   0.002% *  0.0158% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  15.84 +/- 1.28   0.005% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   ASP-  62  21.10 +/- 0.58   0.001% *  0.0160% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.478, support = 0.0199, residual support = 0.0199:
        T QG2   VAL  107 - QE    LYS+ 112   7.39 +/- 1.52  18.150% * 59.7816% (0.51 10.00   0.02   0.02) =  86.919%  kept
          HG13  ILE  119 - HB3   ASP-  62   5.73 +/- 1.75  64.205% *  1.3045% (0.11  1.00   0.02   0.02) =   6.710%  kept
          HG13  ILE  119 - QE    LYS+ 112   8.98 +/- 2.09  10.819% *  6.3761% (0.54  1.00   0.02   0.02) =   5.526%  kept
          QG2   VAL  107 - HB3   ASP-  62   8.73 +/- 1.00   5.862% *  1.2231% (0.10  1.00   0.02   0.02) =   0.574%  kept
          HG2   LYS+ 121 - QE    LYS+ 112  15.01 +/- 1.50   0.193% *  8.2327% (0.70  1.00   0.02   0.02) =   0.127%
          HG2   LYS+ 121 - HB3   ASP-  62  13.69 +/- 1.87   0.416% *  1.6844% (0.14  1.00   0.02   0.02) =   0.056%
          QB    ALA   20 - QE    LYS+ 112  18.88 +/- 1.97   0.057% *  9.8344% (0.83  1.00   0.02   0.02) =   0.045%
          QB    ALA   20 - HB3   ASP-  62  15.50 +/- 0.88   0.181% *  2.0121% (0.17  1.00   0.02   0.02) =   0.029%
          HG13  ILE  103 - QE    LYS+ 112  19.04 +/- 1.51   0.043% *  1.9506% (0.17  1.00   0.02   0.02) =   0.007%
          HB3   LEU   31 - QE    LYS+ 112  26.09 +/- 2.39   0.008% *  5.9782% (0.51  1.00   0.02   0.02) =   0.004%
          HG13  ILE  103 - HB3   ASP-  62  18.45 +/- 1.30   0.052% *  0.3991% (0.03  1.00   0.02   0.02) =   0.002%
          HB3   LEU   31 - HB3   ASP-  62  23.12 +/- 0.76   0.014% *  1.2231% (0.10  1.00   0.02   0.02) =   0.001%
    Distance limit 3.06 A violated in 16 structures by 1.89 A, eliminated.
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.724, support = 0.903, residual support = 3.39:
          QD    PHE   55 - QE    LYS+ 112   3.76 +/- 1.22  88.433% * 88.9389% (0.72   0.90   3.40) =  99.904%  kept
          QE    PHE   95 - QE    LYS+ 112   9.75 +/- 1.85   1.718% *  2.2241% (0.82   0.02   0.02) =   0.049%
          QE    PHE   95 - HB3   ASP-  62   7.33 +/- 0.69   4.076% *  0.4551% (0.17   0.02   0.02) =   0.024%
          HN    LEU   67 - HB3   ASP-  62   7.26 +/- 0.40   5.285% *  0.3003% (0.11   0.02   0.02) =   0.020%
          QD    PHE   55 - HB3   ASP-  62  10.97 +/- 0.98   0.365% *  0.4027% (0.15   0.02   0.02) =   0.002%
          HN    LEU   67 - QE    LYS+ 112  15.79 +/- 2.60   0.046% *  1.4679% (0.54   0.02   0.02) =   0.001%
          HD1   TRP   49 - QE    LYS+ 112  15.07 +/- 1.87   0.031% *  0.7003% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   27 - QE    LYS+ 112  22.50 +/- 2.33   0.004% *  1.8169% (0.67   0.02   0.02) =   0.000%
          HN    THR   23 - QE    LYS+ 112  24.06 +/- 2.21   0.002% *  2.1898% (0.81   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   ASP-  62  19.44 +/- 0.80   0.012% *  0.3717% (0.14   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   ASP-  62  21.77 +/- 0.85   0.006% *  0.4480% (0.16   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASP-  62  18.92 +/- 1.82   0.017% *  0.1433% (0.05   0.02   0.02) =   0.000%
          HD2   HIS   22 - QE    LYS+ 112  27.02 +/- 2.25   0.001% *  0.4490% (0.17   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   ASP-  62  23.23 +/- 1.00   0.004% *  0.0919% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 3 structures by 0.49 A, kept.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.831, support = 3.57, residual support = 23.7:
          HN    GLU- 114 - QB    ASP- 113   2.58 +/- 0.22  97.769% * 79.5276% (0.84   3.59  23.78) =  99.534%  kept
          HN    GLN  116 - QB    ASP- 113   5.08 +/- 0.24   1.858% * 19.5090% (0.98   0.75   1.50) =   0.464%
          HN    THR  118 - QB    ASP- 113   6.83 +/- 0.54   0.364% *  0.4250% (0.80   0.02   0.02) =   0.002%
          HN    PHE   60 - QB    ASP- 113  12.64 +/- 0.60   0.008% *  0.3005% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ASP- 113  21.02 +/- 1.11   0.000% *  0.2380% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 3.43, residual support = 14.3:
      O   HN    ASP- 113 - QB    ASP- 113   2.10 +/- 0.07  99.999% * 99.9821% (0.98  10.0   3.43  14.29) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  14.48 +/- 1.25   0.001% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.411, support = 0.02, residual support = 0.02:
        T QG1   ILE   56 - HA    ASP- 113   8.63 +/- 0.81  98.368% * 39.4133% (0.41 10.00   0.02   0.02) =  99.303%  kept
        T HB3   LYS+  99 - HA    ASP- 113  21.89 +/- 0.82   0.429% * 50.4393% (0.53 10.00   0.02   0.02) =   0.554%  kept
          HB    ILE   89 - HA    ASP- 113  21.23 +/- 0.90   0.533% *  8.8499% (0.92  1.00   0.02   0.02) =   0.121%
          HB    VAL   43 - HA    ASP- 113  20.27 +/- 0.70   0.670% *  1.2975% (0.14  1.00   0.02   0.02) =   0.022%
    Distance limit 3.58 A violated in 20 structures by 5.04 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.793, support = 4.03, residual support = 49.7:
      O   HN    GLU- 114 - HA    GLU- 114   2.82 +/- 0.05  56.198% * 54.8035% (0.84  10.0   3.63  44.28) =  87.874%  kept
      O   HN    GLN  116 - HA    LEU  115   3.61 +/- 0.03  12.639% * 29.5974% (0.45  10.0   7.53 100.69) =  10.674%  kept
          HN    GLN  116 - HA    GLU- 114   4.40 +/- 0.26   4.098% *  9.9037% (0.98   1.0   3.08   0.29) =   1.158%  kept
          HN    GLU- 114 - HA    LEU  115   5.06 +/- 0.15   1.693% *  5.5216% (0.38   1.0   4.38  15.17) =   0.267%
          HN    THR  118 - HA    GLU- 114   3.96 +/- 0.78  11.903% *  0.0525% (0.80   1.0   0.02   0.02) =   0.018%
          HN    THR  118 - HA    LEU  115   3.67 +/- 0.29  13.308% *  0.0242% (0.37   1.0   0.02   0.02) =   0.009%
          HN    PHE   60 - HA    LEU  115   8.00 +/- 1.15   0.150% *  0.0171% (0.26   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.44 +/- 0.87   0.008% *  0.0371% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  16.71 +/- 1.43   0.001% *  0.0135% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  19.83 +/- 1.37   0.001% *  0.0294% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 0.569, support = 6.71, residual support = 159.4:
      O   HN    LEU  115 - HA    LEU  115   2.78 +/- 0.04  79.835% * 31.4756% (0.41  10.0   7.56 227.91) =  67.788%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.04  17.458% * 68.3936% (0.90  10.0   4.93  15.17) =  32.210%  kept
          HN    ASP- 113 - HA    GLU- 114   5.06 +/- 0.14   2.220% *  0.0212% (0.28   1.0   0.02  23.78) =   0.001%
          HN    ASP- 113 - HA    LEU  115   6.60 +/- 0.18   0.449% *  0.0098% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.76 +/- 1.26   0.029% *  0.0315% (0.41   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.47 +/- 1.13   0.011% *  0.0684% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 3.89, residual support = 44.3:
      O   HN    GLU- 114 - QB    GLU- 114   2.30 +/- 0.21  96.990% * 99.6664% (0.81  10.0   3.89  44.28) =  99.997%  kept
          HN    THR  118 - QB    GLU- 114   4.71 +/- 0.68   1.863% *  0.0955% (0.77   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - QB    GLU- 114   5.01 +/- 0.27   1.133% *  0.1170% (0.95   1.0   0.02   0.29) =   0.001%
          HN    PHE   60 - QB    GLU- 114  10.76 +/- 1.30   0.013% *  0.0676% (0.55   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    GLU- 114  17.69 +/- 1.46   0.001% *  0.0535% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 0.851, support = 4.81, residual support = 15.4:
          HN    LEU  115 - QB    GLU- 114   3.02 +/- 0.34  88.970% * 82.6532% (0.87   4.85  15.17) =  97.526%  kept
          HN    ASP- 113 - QB    GLU- 114   4.46 +/- 0.31  10.967% * 17.0059% (0.27   3.22  23.78) =   2.473%  kept
          HN    PHE   97 - QB    GLU- 114  10.55 +/- 1.26   0.063% *  0.3409% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.838, support = 4.34, residual support = 42.8:
          HN    GLU- 114 - QG    GLU- 114   2.63 +/- 0.48  90.314% * 52.6251% (0.83   4.38  44.28) =  96.645%  kept
          HN    GLN  116 - QG    GLU- 114   5.23 +/- 0.76   3.492% * 46.8523% (0.98   3.32   0.29) =   3.326%  kept
          HN    THR  118 - QG    GLU- 114   5.15 +/- 1.10   6.154% *  0.2305% (0.80   0.02   0.02) =   0.029%
          HN    PHE   60 - QG    GLU- 114  10.81 +/- 1.34   0.038% *  0.1630% (0.56   0.02   0.02) =   0.000%
          HN    LEU   71 - QG    GLU- 114  17.79 +/- 1.75   0.002% *  0.1291% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 5.18, residual support = 15.2:
          HN    LEU  115 - QG    GLU- 114   3.25 +/- 1.01  99.752% * 98.3738% (0.45   5.18  15.17) =  99.999%  kept
          HN    PHE   97 - QG    GLU- 114  10.58 +/- 1.66   0.246% *  0.3796% (0.45   0.02   0.02) =   0.001%
          HN    ASN   35 - QG    GLU- 114  24.30 +/- 1.79   0.002% *  0.4455% (0.52   0.02   0.02) =   0.000%
          HN    ALA   12 - QG    GLU- 114  31.97 +/- 1.49   0.000% *  0.8010% (0.94   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.967, support = 1.29, residual support = 3.95:
          QG1   VAL  107 - QG    GLU- 114   3.36 +/- 1.34  89.097% * 58.3325% (0.98   1.31   4.18) =  92.479%  kept
          HD3   LYS+ 112 - QG    GLU- 114   7.86 +/- 1.66  10.501% * 40.2397% (0.83   1.06   1.19) =   7.519%  kept
          HG13  ILE  119 - QG    GLU- 114   8.52 +/- 1.58   0.392% *  0.2024% (0.22   0.02   0.02) =   0.001%
          QG1   VAL   24 - QG    GLU- 114  18.32 +/- 1.86   0.004% *  0.8394% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - QG    GLU- 114  18.63 +/- 1.44   0.004% *  0.1592% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG    GLU- 114  21.52 +/- 1.93   0.002% *  0.2267% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 1 structures by 0.32 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.585, support = 0.986, residual support = 4.17:
        T QG2   VAL  107 - QB    GLU- 114   3.93 +/- 1.33  95.928% * 97.0252% (0.59 10.00   0.99   4.18) =  99.934%  kept
          HG13  ILE  119 - QB    GLU- 114   8.34 +/- 1.02   2.730% *  2.1200% (0.62  1.00   0.20   0.02) =   0.062%
          HG2   LYS+ 121 - QB    GLU- 114   9.99 +/- 1.22   1.163% *  0.2707% (0.81  1.00   0.02   0.02) =   0.003%
          HG13  ILE  103 - QB    GLU- 114  12.57 +/- 1.43   0.154% *  0.0641% (0.19  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QB    GLU- 114  18.86 +/- 1.19   0.018% *  0.3234% (0.96  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QB    GLU- 114  21.55 +/- 1.58   0.007% *  0.1966% (0.59  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 10 structures by 1.08 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 6.24, residual support = 227.9:
      O T HA    LEU  115 - HB3   LEU  115   2.23 +/- 0.06  99.724% * 97.8960% (0.92  10.0 10.00   6.24 227.91) =  99.999%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.41 +/- 0.16   0.185% *  0.4755% (0.45   1.0 10.00   0.02  15.17) =   0.001%
        T HA    ARG+  54 - HB3   LEU  115  11.08 +/- 0.76   0.007% *  0.8858% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU   40   7.62 +/- 0.27   0.065% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  10.41 +/- 1.08   0.012% *  0.0075% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   LEU   40  17.04 +/- 1.39   0.001% *  0.1149% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU  115  17.33 +/- 0.81   0.000% *  0.0770% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  15.34 +/- 2.11   0.002% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  14.72 +/- 0.67   0.001% *  0.0118% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  19.41 +/- 1.31   0.000% *  0.0558% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  17.49 +/- 0.66   0.000% *  0.0218% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  22.59 +/- 1.85   0.000% *  0.0643% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  23.93 +/- 1.46   0.000% *  0.1003% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  24.42 +/- 1.50   0.000% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  13.30 +/- 0.18   0.002% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  23.88 +/- 1.50   0.000% *  0.0849% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  20.90 +/- 1.17   0.000% *  0.0327% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  26.14 +/- 1.17   0.000% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  30.23 +/- 1.54   0.000% *  0.0236% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  23.91 +/- 0.62   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.1, residual support = 227.9:
      O T QD1   LEU  115 - HB3   LEU  115   2.48 +/- 0.34  99.991% * 99.7570% (0.87  10.0 10.00   6.10 227.91) = 100.000%  kept
          QG1   VAL   75 - HB3   LEU  115  14.04 +/- 0.87   0.004% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  115 - HB3   LEU   40  16.48 +/- 1.86   0.002% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HB3   LEU   40  14.90 +/- 0.49   0.003% *  0.0132% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.448, support = 7.3, residual support = 227.9:
      O T QD2   LEU  115 - HB3   LEU  115   2.62 +/- 0.41  94.140% * 98.9032% (0.45  10.0 10.00   7.30 227.91) =  99.995%  kept
          QD1   LEU   63 - HB3   LEU  115   5.95 +/- 1.19   2.033% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HB3   LEU  115   7.66 +/- 1.25   0.428% *  0.2036% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   LEU   40   5.92 +/- 0.80   1.833% *  0.0058% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   40   6.06 +/- 0.54   0.927% *  0.0097% (0.04   1.0  1.00   0.02  19.79) =   0.000%
          QD2   LEU   63 - HB3   LEU   40   8.28 +/- 1.33   0.184% *  0.0239% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU   40   8.73 +/- 0.63   0.093% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   40   7.48 +/- 0.68   0.265% *  0.0058% (0.03   1.0  1.00   0.02   9.08) =   0.000%
          QD1   LEU   63 - HB3   LEU   40   9.80 +/- 1.10   0.065% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HB3   LEU   40  15.30 +/- 2.01   0.005% *  0.1160% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU  115  15.62 +/- 1.17   0.003% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   LEU  115  13.81 +/- 1.38   0.007% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU  115  14.38 +/- 1.54   0.006% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU  115  15.71 +/- 1.46   0.003% *  0.0828% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  115  17.00 +/- 0.96   0.002% *  0.0907% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  17.86 +/- 1.15   0.001% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  15.18 +/- 0.68   0.003% *  0.0106% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  17.03 +/- 0.83   0.002% *  0.0058% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3246 (8.17, 1.46, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.951, support = 7.64, residual support = 93.4:
          HN    GLN  116 - HB3   LEU  115   4.11 +/- 0.17  35.859% * 69.6076% (0.98   8.05 100.69) =  91.877%  kept
          HN    GLU- 114 - HB3   LEU  115   5.70 +/- 0.36   5.586% * 26.0185% (0.84   3.53  15.17) =   5.350%  kept
          HN    LEU   71 - HB3   LEU   40   4.01 +/- 0.97  49.246% *  1.1902% (0.05   2.56   1.84) =   2.157%  kept
          HN    THR  118 - HB3   LEU  115   5.65 +/- 0.34   5.561% *  2.9388% (0.80   0.42   0.02) =   0.602%  kept
          HN    PHE   60 - HB3   LEU  115   6.74 +/- 1.30   3.716% *  0.0999% (0.57   0.02   0.02) =   0.014%
          HN    LEU   71 - HB3   LEU  115  17.36 +/- 1.59   0.008% *  0.0791% (0.45   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   40  16.06 +/- 1.02   0.010% *  0.0166% (0.09   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   40  16.49 +/- 1.18   0.009% *  0.0117% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  19.19 +/- 1.44   0.004% *  0.0203% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  21.23 +/- 1.24   0.002% *  0.0173% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 7.44, residual support = 227.9:
      O   HN    LEU  115 - HB3   LEU  115   3.25 +/- 0.22  98.266% * 99.8421% (0.90  10.0   7.44 227.91) =  99.999%  kept
          HN    ASP- 113 - HB3   LEU  115   6.53 +/- 0.37   1.544% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU  115  12.07 +/- 1.48   0.047% *  0.0998% (0.90   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU   40   9.95 +/- 0.58   0.140% *  0.0117% (0.11   1.0   0.02   0.73) =   0.000%
          HN    LEU  115 - HB3   LEU   40  19.53 +/- 1.28   0.002% *  0.0117% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  23.06 +/- 1.23   0.001% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 0.75, residual support = 2.24:
        T HA    LYS+ 112 - HB2   LEU  115   2.90 +/- 0.65  99.959% * 99.6055% (0.69 10.00   0.75   2.24) = 100.000%  kept
          HB2   HIS  122 - HB2   LEU  115  13.37 +/- 1.26   0.023% *  0.1590% (0.41  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LEU  115  13.67 +/- 1.39   0.018% *  0.0765% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB2   LEU  115  27.71 +/- 1.13   0.000% *  0.1590% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.891, support = 0.0199, residual support = 2.32:
          QD    PHE   55 - HB2   LEU  115   5.63 +/- 0.86  77.825% * 18.1970% (0.87   0.02   3.01) =  75.838%  kept
          QE    PHE   95 - HB2   LEU  115   7.47 +/- 1.13  21.616% * 20.5627% (0.98   0.02   0.14) =  23.803%  kept
          HN    LEU   67 - HB2   LEU  115  14.94 +/- 1.62   0.354% * 13.5708% (0.65   0.02   0.02) =   0.257%
          HD1   TRP   49 - HB2   LEU  115  16.38 +/- 1.18   0.145% *  6.4748% (0.31   0.02   0.02) =   0.050%
          HE3   TRP   27 - HB2   LEU  115  21.00 +/- 1.30   0.036% * 16.7979% (0.80   0.02   0.02) =   0.033%
          HN    THR   23 - HB2   LEU  115  23.89 +/- 1.09   0.015% * 20.2453% (0.97   0.02   0.02) =   0.017%
          HD2   HIS   22 - HB2   LEU  115  27.17 +/- 1.15   0.007% *  4.1515% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.57 A violated in 17 structures by 1.77 A, eliminated.
    Peak unassigned.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.777, support = 7.4, residual support = 96.3:
          HN    GLN  116 - HB2   LEU  115   3.36 +/- 0.29  77.929% * 80.7612% (0.80   7.58 100.69) =  94.874%  kept
          HN    GLU- 114 - HB2   LEU  115   4.34 +/- 0.21  18.212% * 18.6169% (0.34   4.10  15.17) =   5.111%  kept
          HN    THR  118 - HB2   LEU  115   5.76 +/- 0.24   3.223% *  0.2610% (0.98   0.02   0.02) =   0.013%
          HN    PHE   60 - HB2   LEU  115   8.04 +/- 1.16   0.636% *  0.2610% (0.98   0.02   0.02) =   0.003%
          HN    GLU-  15 - HB2   LEU  115  24.50 +/- 1.17   0.001% *  0.0999% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 7.38, residual support = 227.9:
      O   HN    LEU  115 - HB2   LEU  115   2.06 +/- 0.11  99.415% * 99.8692% (0.90  10.0   7.38 227.91) = 100.000%  kept
          HN    ASP- 113 - HB2   LEU  115   4.92 +/- 0.25   0.583% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   LEU  115  13.04 +/- 1.24   0.002% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 0.499, support = 5.51, residual support = 70.8:
      O   HN    GLU- 114 - HA    GLU- 114   2.82 +/- 0.05  56.142% * 15.9009% (0.19  10.0   3.63  44.28) =  49.925%  kept
      O   HN    GLN  116 - HA    LEU  115   3.61 +/- 0.03  12.627% * 68.2000% (0.82  10.0   7.53 100.69) =  48.161%  kept
          HN    GLU- 114 - HA    LEU  115   5.06 +/- 0.15   1.692% * 12.7231% (0.70   1.0   4.38  15.17) =   1.204%  kept
          HN    GLN  116 - HA    GLU- 114   4.40 +/- 0.26   4.094% *  2.8735% (0.22   1.0   3.08   0.29) =   0.658%  kept
          HN    THR  118 - HA    LEU  115   3.67 +/- 0.29  13.296% *  0.0557% (0.67   1.0   0.02   0.02) =   0.041%
          HN    THR  118 - HA    GLU- 114   3.96 +/- 0.78  11.893% *  0.0152% (0.18   1.0   0.02   0.02) =   0.010%
          HN    PHE   60 - HA    LEU  115   8.00 +/- 1.15   0.150% *  0.0394% (0.47   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    ARG+  54   8.58 +/- 0.94   0.087% *  0.0221% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    ARG+  54  13.99 +/- 0.83   0.004% *  0.0382% (0.46   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    ARG+  54  14.79 +/- 0.79   0.003% *  0.0326% (0.39   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.44 +/- 0.87   0.008% *  0.0108% (0.13   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HA    ARG+  54  16.35 +/- 0.83   0.002% *  0.0312% (0.37   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  16.71 +/- 1.43   0.001% *  0.0312% (0.37   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  22.04 +/- 1.60   0.000% *  0.0175% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  19.83 +/- 1.37   0.000% *  0.0085% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.718, support = 7.41, residual support = 215.9:
      O   HN    LEU  115 - HA    LEU  115   2.78 +/- 0.04  79.824% * 78.3350% (0.75  10.0   7.56 227.91) =  94.354%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.04  17.455% * 21.4329% (0.20  10.0   4.93  15.17) =   5.645%  kept
          HN    ASP- 113 - HA    GLU- 114   5.06 +/- 0.14   2.219% *  0.0066% (0.06   1.0   0.02  23.78) =   0.000%
          HN    ASP- 113 - HA    LEU  115   6.60 +/- 0.18   0.449% *  0.0243% (0.23   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.76 +/- 1.26   0.029% *  0.0783% (0.75   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ARG+  54  13.24 +/- 0.64   0.007% *  0.0439% (0.42   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.47 +/- 1.13   0.011% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  14.13 +/- 1.00   0.005% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ARG+  54  19.72 +/- 1.16   0.001% *  0.0439% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 7.54, residual support = 227.9:
          HN    LEU  115 - HG    LEU  115   3.66 +/- 0.62  92.381% * 99.4477% (0.78   7.54 227.91) =  99.993%  kept
          HN    ASP- 113 - HG    LEU  115   5.86 +/- 1.06   6.118% *  0.0817% (0.24   0.02   0.02) =   0.005%
          HN    PHE   97 - HG    LEU   40   7.92 +/- 0.59   1.405% *  0.0896% (0.26   0.02   0.73) =   0.001%
          HN    PHE   97 - HG    LEU  115  13.81 +/- 1.44   0.081% *  0.2637% (0.78   0.02   0.02) =   0.000%
          HN    LEU  115 - HG    LEU   40  17.86 +/- 1.28   0.011% *  0.0896% (0.26   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG    LEU   40  21.38 +/- 1.23   0.004% *  0.0278% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.25 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  10.67 +/- 1.56 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.74 A violated in 20 structures by 6.93 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.926, support = 1.19, residual support = 2.86:
          QD    PHE   55 - QD1   LEU  115   4.24 +/- 1.19  75.919% * 82.5396% (0.95   1.23   3.01) =  94.807%  kept
          QE    PHE   95 - QD1   LEU  115   6.29 +/- 1.88  23.412% * 14.6506% (0.57   0.37   0.14) =   5.189%  kept
          HN    LEU   67 - QD1   LEU  115  11.80 +/- 1.58   0.631% *  0.2805% (0.20   0.02   0.02) =   0.003%
          HE3   TRP   27 - QD1   LEU  115  17.98 +/- 1.88   0.021% *  1.3894% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - QD1   LEU  115  20.01 +/- 1.67   0.010% *  0.7458% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  115  20.31 +/- 1.64   0.008% *  0.3941% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 7 structures by 0.82 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.48, residual support = 29.5:
          QD    PHE   59 - QD1   LEU  115   3.45 +/- 0.84  99.683% * 98.7208% (0.95   4.48  29.52) =  99.999%  kept
          HH2   TRP   49 - QD1   LEU  115  13.04 +/- 1.77   0.305% *  0.3891% (0.84   0.02   0.02) =   0.001%
          HE21  GLN   30 - QD1   LEU  115  18.53 +/- 1.85   0.006% *  0.4495% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - QD1   LEU  115  19.69 +/- 1.75   0.005% *  0.4406% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 3 structures by 0.36 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.832, support = 0.02, residual support = 0.135:
          QD    PHE   95 - QD2   LEU  115   6.29 +/- 1.91  97.316% * 75.7271% (0.84   0.02   0.14) =  99.124%  kept
          HN    ALA   47 - QD2   LEU  115  12.52 +/- 1.23   2.684% * 24.2729% (0.27   0.02   0.02) =   0.876%  kept
    Distance limit 3.36 A violated in 17 structures by 2.94 A, eliminated.
    Peak unassigned.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.894, support = 2.7, residual support = 29.5:
          QE    PHE   59 - QD2   LEU  115   3.63 +/- 1.27  66.882% * 83.1296% (0.89   2.90  29.52) =  91.565%  kept
          HN    PHE   59 - QD2   LEU  115   4.84 +/- 1.08  31.828% * 16.0802% (0.93   0.54  29.52) =   8.429%  kept
          HN    HIS  122 - QD2   LEU  115   7.99 +/- 0.65   0.933% *  0.2785% (0.43   0.02   0.02) =   0.004%
          HN    LYS+  66 - QD2   LEU  115   9.84 +/- 1.27   0.350% *  0.2785% (0.43   0.02   0.02) =   0.002%
          HH2   TRP   87 - QD2   LEU  115  18.00 +/- 2.56   0.006% *  0.2332% (0.36   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 6 structures by 0.66 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.607, support = 3.98, residual support = 14.4:
        T QD1   ILE  119 - HA    GLN  116   3.30 +/- 0.65  99.538% * 99.5742% (0.61 10.00   3.98  14.44) = 100.000%  kept
          QD1   LEU   67 - HA    GLN  116  10.54 +/- 1.97   0.215% *  0.0560% (0.34  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    GLN  116  11.15 +/- 0.76   0.122% *  0.0325% (0.20  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    GLN  116  13.78 +/- 1.61   0.049% *  0.0616% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    GLN  116  14.02 +/- 1.22   0.031% *  0.0507% (0.31  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    GLN  116  13.46 +/- 0.94   0.036% *  0.0409% (0.25  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    GLN  116  19.58 +/- 1.38   0.004% *  0.1553% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    GLN  116  18.58 +/- 1.50   0.005% *  0.0288% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 1 structures by 0.29 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 100.7:
          QD2   LEU  115 - HA    GLN  116   2.27 +/- 0.20  99.556% * 98.5632% (0.92   6.30 100.69) =  99.999%  kept
          QD1   LEU   63 - HA    GLN  116   6.63 +/- 0.85   0.292% *  0.3320% (0.98   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    GLN  116   7.16 +/- 0.79   0.147% *  0.1519% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLN  116  13.25 +/- 1.18   0.003% *  0.2327% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLN  116  17.45 +/- 1.22   0.001% *  0.3320% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLN  116  20.04 +/- 1.00   0.000% *  0.3038% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLN  116  21.86 +/- 1.09   0.000% *  0.0845% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 2.33, residual support = 14.4:
          HN    ILE  119 - HA    GLN  116   3.33 +/- 0.29  99.996% * 96.9618% (0.57   2.33  14.44) = 100.000%  kept
          HN    CYS   21 - HA    GLN  116  22.65 +/- 1.21   0.001% *  1.4163% (0.97   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN  116  20.73 +/- 0.84   0.002% *  0.5006% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    GLN  116  27.42 +/- 1.48   0.000% *  0.8309% (0.57   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLN  116  27.40 +/- 1.65   0.000% *  0.2904% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 6.98, residual support = 114.2:
      O   HN    GLN  116 - HA    GLN  116   2.79 +/- 0.05  92.063% * 90.2776% (0.98  10.0   7.02 115.17) =  99.154%  kept
          HN    THR  118 - HA    GLN  116   4.31 +/- 0.33   7.421% *  9.5521% (0.80   1.0   2.59   0.02) =   0.846%  kept
          HN    GLU- 114 - HA    GLN  116   6.89 +/- 0.19   0.415% *  0.0769% (0.84   1.0   0.02   0.29) =   0.000%
          HN    PHE   60 - HA    GLN  116   8.92 +/- 0.76   0.099% *  0.0521% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLN  116  17.53 +/- 1.86   0.002% *  0.0413% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.31 +/- 0.53  99.548% * 66.5564% (0.49  1.00   0.75   1.50) =  99.963%  kept
        T HA    PRO   58 - HB2   GLN  116  12.06 +/- 1.21   0.077% * 14.9903% (0.41 10.00   0.02   0.02) =   0.017%
          HA    ILE   56 - HB2   GLN  116   9.30 +/- 1.16   0.299% *  3.5189% (0.97  1.00   0.02   0.02) =   0.016%
          HA    LEU  123 - HB2   GLN  116  11.74 +/- 0.42   0.071% *  3.6382% (1.00  1.00   0.02   0.02) =   0.004%
          HA    LYS+  99 - HB2   GLN  116  21.25 +/- 1.29   0.002% *  3.0456% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   GLN  116  21.86 +/- 1.49   0.002% *  2.0644% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   GLN  116  24.04 +/- 1.32   0.001% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   GLN  116  29.37 +/- 1.49   0.000% *  3.4492% (0.95  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN  116  30.64 +/- 1.65   0.000% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.448, support = 7.02, residual support = 100.7:
          QD2   LEU  115 - HB2   GLN  116   3.25 +/- 0.79  98.869% * 97.5355% (0.45   7.02 100.69) =  99.994%  kept
          QD1   LEU   63 - HB2   GLN  116   8.62 +/- 0.81   0.693% *  0.4960% (0.80   0.02   0.02) =   0.004%
          QD2   LEU   63 - HB2   GLN  116   9.34 +/- 0.83   0.387% *  0.5718% (0.92   0.02   0.02) =   0.002%
          QD1   LEU  104 - HB2   GLN  116  14.91 +/- 0.95   0.023% *  0.1379% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   GLN  116  19.34 +/- 1.04   0.005% *  0.4960% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   GLN  116  17.39 +/- 1.25   0.012% *  0.1379% (0.22   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   GLN  116  18.67 +/- 1.12   0.006% *  0.2325% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   GLN  116  21.45 +/- 0.86   0.003% *  0.2546% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   GLN  116  22.43 +/- 1.05   0.002% *  0.1379% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.65, residual support = 100.7:
          QD2   LEU  115 - HG2   GLN  116   2.89 +/- 0.79  98.022% * 98.7351% (1.00   6.65 100.69) =  99.996%  kept
          QD1   LEU   63 - HG2   GLN  116   7.94 +/- 1.11   1.261% *  0.2479% (0.84   0.02   0.02) =   0.003%
          QD2   LEU   63 - HG2   GLN  116   8.57 +/- 0.96   0.691% *  0.0740% (0.25   0.02   0.02) =   0.001%
          QD1   LEU  104 - HG2   GLN  116  14.70 +/- 1.40   0.021% *  0.2661% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG2   GLN  116  18.81 +/- 1.52   0.004% *  0.2479% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG2   GLN  116  21.13 +/- 1.23   0.002% *  0.2961% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG2   GLN  116  22.99 +/- 1.28   0.001% *  0.1330% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 4.41, residual support = 115.2:
      O   HE21  GLN  116 - HG2   GLN  116   2.78 +/- 0.65  95.072% * 99.6673% (0.65  10.0   4.41 115.17) =  99.998%  kept
          HN    ALA  120 - HG2   GLN  116   5.32 +/- 0.66   4.841% *  0.0428% (0.28   1.0   0.02   0.38) =   0.002%
          HN    ALA   57 - HG2   GLN  116  10.66 +/- 1.90   0.086% *  0.1119% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG2   GLN  116  23.57 +/- 3.28   0.001% *  0.1510% (0.98   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  30.57 +/- 2.10   0.000% *  0.0270% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3268 (8.18, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.802, support = 7.06, residual support = 114.5:
          HN    GLN  116 - HG2   GLN  116   3.37 +/- 0.34  94.435% * 86.5794% (0.80   7.10 115.17) =  99.390%  kept
          HN    THR  118 - HG2   GLN  116   5.92 +/- 0.64   3.873% * 12.9035% (0.98   0.86   0.02) =   0.607%  kept
          HN    GLU- 114 - HG2   GLN  116   7.02 +/- 0.87   1.390% *  0.1039% (0.34   0.02   0.29) =   0.002%
          HN    PHE   60 - HG2   GLN  116   9.76 +/- 1.57   0.301% *  0.2987% (0.98   0.02   0.02) =   0.001%
          HN    GLU-  15 - HG2   GLN  116  24.40 +/- 1.93   0.001% *  0.1144% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.554, support = 0.0199, residual support = 0.0199:
          QD    PHE   55 - HB2   GLN  116   8.62 +/- 0.78  72.670% *  6.8436% (0.34   0.02   0.02) =  53.411%  kept
          QE    PHE   95 - HB2   GLN  116  10.69 +/- 1.23  23.254% * 15.3326% (0.76   0.02   0.02) =  38.291%  kept
          HN    LEU   67 - HB2   GLN  116  15.07 +/- 1.33   3.417% * 20.0629% (1.00   0.02   0.02) =   7.363%  kept
          HD1   TRP   49 - HB2   GLN  116  21.00 +/- 1.31   0.359% * 16.7579% (0.84   0.02   0.02) =   0.646%  kept
          HN    THR   23 - HB2   GLN  116  27.85 +/- 1.05   0.067% * 16.0651% (0.80   0.02   0.02) =   0.115%
          HE3   TRP   27 - HB2   GLN  116  24.35 +/- 1.12   0.155% *  5.5782% (0.28   0.02   0.02) =   0.093%
          HD2   HIS   22 - HB2   GLN  116  30.51 +/- 1.18   0.038% * 13.7814% (0.69   0.02   0.02) =   0.057%
          HD21  ASN   35 - HB2   GLN  116  30.99 +/- 1.78   0.039% *  5.5782% (0.28   0.02   0.02) =   0.023%
    Distance limit 3.68 A violated in 20 structures by 4.45 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 = 115.2:
      O   HN    GLN  116 - HB2   GLN  116   2.10 +/- 0.06  99.196% * 99.7303% (0.98  10.0   7.63 115.17) =  99.999%  kept
          HN    GLU- 114 - HB2   GLN  116   5.36 +/- 0.37   0.410% *  0.0850% (0.84   1.0   0.02   0.29) =   0.000%
          HN    THR  118 - HB2   GLN  116   5.36 +/- 0.32   0.387% *  0.0815% (0.80   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB2   GLN  116  10.70 +/- 0.79   0.006% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   GLN  116  20.14 +/- 1.78   0.000% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3271 (8.67, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.87, residual support = 27.7:
          HN    SER  117 - HB2   GLN  116   3.14 +/- 0.28  99.999% * 99.5590% (0.98   4.87  27.73) = 100.000%  kept
          HN    GLY   16 - HB2   GLN  116  21.86 +/- 1.32   0.001% *  0.3482% (0.84   0.02   0.02) =   0.000%
          HN    SER   82 - HB2   GLN  116  29.04 +/- 0.89   0.000% *  0.0928% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.87, residual support = 27.7:
      O   HN    SER  117 - HA    GLN  116   3.60 +/- 0.03  99.995% * 99.8922% (0.98  10.0   4.87  27.73) = 100.000%  kept
          HN    GLY   16 - HA    GLN  116  19.21 +/- 1.26   0.005% *  0.0851% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  27.89 +/- 1.11   0.000% *  0.0227% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 2.36, residual support = 6.39:
        T QB    ALA  120 - HA    SER  117   2.54 +/- 0.37  97.512% * 99.2618% (0.92 10.00   2.36   6.39) =  99.999%  kept
          HD2   LYS+ 121 - HA    SER  117   5.89 +/- 1.71   2.137% *  0.0188% (0.18  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    SER  117   7.66 +/- 0.86   0.232% *  0.0993% (0.92  1.00   0.02   1.57) =   0.000%
          HB3   LEU  115 - HA    SER  117   8.33 +/- 0.21   0.110% *  0.0404% (0.38  1.00   0.02   1.57) =   0.000%
          HG    LEU   67 - HA    SER  117  14.68 +/- 2.57   0.005% *  0.0523% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    SER  117  17.74 +/- 1.13   0.001% *  0.1075% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    SER  117  16.23 +/- 1.09   0.002% *  0.0404% (0.38  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    SER  117  23.93 +/- 0.58   0.000% *  0.2990% (0.28 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  17.47 +/- 1.32   0.001% *  0.0239% (0.22  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    SER  117  21.99 +/- 0.66   0.000% *  0.0566% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 0.465, support = 1.43, residual support = 17.2:
          HE21  GLN  116 - HA    SER  117   6.19 +/- 1.60  13.586% * 84.6537% (0.65   2.10  27.73) =  50.593%  kept
          HN    ALA  120 - HA    SER  117   3.56 +/- 0.23  86.390% * 13.0004% (0.28   0.75   6.39) =  49.406%  kept
          HN    ALA   57 - HA    SER  117  14.54 +/- 0.94   0.021% *  0.9054% (0.73   0.02   0.02) =   0.001%
          HE21  GLN   90 - HA    SER  117  24.08 +/- 3.93   0.002% *  1.2222% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HA    SER  117  28.42 +/- 1.74   0.000% *  0.2184% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3275 (8.68, 4.24, 61.69 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 3.59, residual support = 15.2:
      O   HN    SER  117 - HA    SER  117   2.75 +/- 0.05  99.999% * 99.9049% (0.57  10.0   3.59  15.20) = 100.000%  kept
          HN    GLY   16 - HA    SER  117  21.37 +/- 0.87   0.000% *  0.0602% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   20 - HA    SER  117  25.95 +/- 0.63   0.000% *  0.0349% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3278 (7.30, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 0.222, support = 0.0197, residual support = 0.0197:
          HN    LYS+  81 - QB    SER   85   7.12 +/- 0.21  59.117% *  3.4992% (0.12   0.02   0.02) =  43.892%  kept
          QD    PHE   55 - QB    SER  117  10.42 +/- 0.66   6.369% * 14.4446% (0.49   0.02   0.02) =  19.521%  kept
          HN    LYS+  81 - QB    SER   48   9.81 +/- 1.48  11.599% *  5.8981% (0.20   0.02   0.02) =  14.515%  kept
          QE    PHE   95 - QB    SER  117   9.94 +/- 0.96   9.051% *  4.5788% (0.15   0.02   0.02) =   8.793%  kept
          QD    PHE   60 - QB    SER  117  12.15 +/- 0.77   2.566% * 12.2000% (0.41   0.02   0.02) =   6.643%  kept
          QD    PHE   60 - QB    SER   48  11.58 +/- 1.09   3.970% *  3.1728% (0.11   0.02   0.02) =   2.672%  kept
          QD    PHE   55 - QB    SER   48  13.29 +/- 0.90   1.514% *  3.7566% (0.13   0.02   0.02) =   1.206%  kept
          HE3   TRP   27 - QB    SER   85  13.38 +/- 1.03   1.561% *  2.5923% (0.09   0.02   0.02) =   0.859%  kept
          QE    PHE   95 - QB    SER   48  12.54 +/- 1.25   2.429% *  1.1908% (0.04   0.02   0.02) =   0.614%  kept
          HE3   TRP   27 - QB    SER  117  20.44 +/- 0.95   0.111% * 16.8009% (0.57   0.02   0.02) =   0.396%
          HE3   TRP   27 - QB    SER   48  16.67 +/- 1.06   0.400% *  4.3694% (0.15   0.02   0.02) =   0.371%
          HN    LYS+  81 - QB    SER  117  24.76 +/- 1.22   0.035% * 22.6789% (0.76   0.02   0.02) =   0.170%
          QD    PHE   60 - QB    SER   85  16.46 +/- 0.76   0.409% *  1.8824% (0.06   0.02   0.02) =   0.163%
          QE    PHE   95 - QB    SER   85  15.12 +/- 0.85   0.698% *  0.7065% (0.02   0.02   0.02) =   0.105%
          QD    PHE   55 - QB    SER   85  19.09 +/- 1.09   0.169% *  2.2287% (0.08   0.02   0.02) =   0.080%
    Distance limit 3.75 A violated in 20 structures by 2.79 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 68.07 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.61, residual support = 36.4:
      O T QG2   THR  118 - HB    THR  118   2.15 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   3.61  36.38) = 100.000%  kept
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3281 (1.10, 3.88, 68.07 ppm):
    6 chemical-shift based assignments, quality = 0.971, support = 1.54, residual support = 6.19:
          QG1   VAL  107 - HB    THR  118   2.08 +/- 0.49  98.169% * 58.4892% (0.98   1.50   5.81) =  98.769%  kept
          HG13  ILE  119 - HB    THR  118   4.83 +/- 0.52   1.798% * 39.7741% (0.22   4.49  36.89) =   1.230%  kept
          HD3   LYS+ 112 - HB    THR  118  10.61 +/- 1.31   0.032% *  0.6645% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    THR  118  19.32 +/- 1.87   0.000% *  0.7344% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    THR  118  19.55 +/- 0.72   0.000% *  0.1393% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    THR  118  20.92 +/- 1.18   0.000% *  0.1984% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3282 (7.24, 3.88, 68.07 ppm):
    4 chemical-shift based assignments, quality = 0.524, support = 1.64, residual support = 9.37:
          QE    PHE   59 - HB    THR  118   3.76 +/- 1.84  88.039% * 33.6134% (0.45   1.71  10.66) =  83.335%  kept
          HN    HIS  122 - HB    THR  118   6.98 +/- 0.19  10.763% * 53.7475% (0.92   1.33   2.94) =  16.290%  kept
          HN    PHE   59 - HB    THR  118   9.21 +/- 1.25   1.117% * 11.8770% (0.84   0.32  10.66) =   0.374%
          HH2   TRP   87 - HB    THR  118  17.81 +/- 2.13   0.081% *  0.7621% (0.87   0.02   0.02) =   0.002%
    Distance limit 3.87 A violated in 4 structures by 0.55 A, kept.
 
    Peak 3283 (8.18, 3.88, 68.07 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.59, residual support = 36.4:
      O   HN    THR  118 - HB    THR  118   2.15 +/- 0.11  99.207% * 99.7459% (0.98  10.0   3.59  36.38) =  99.999%  kept
          HN    GLN  116 - HB    THR  118   5.12 +/- 0.37   0.631% *  0.0815% (0.80   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HB    THR  118   6.69 +/- 0.75   0.137% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB    THR  118   9.07 +/- 1.07   0.024% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB    THR  118  22.22 +/- 1.20   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3284 (0.26, 3.69, 67.42 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 3.61, residual support = 36.4:
      O T QG2   THR  118 - HA    THR  118   2.62 +/- 0.13 100.000% *100.0000% (0.14  10.0 10.00   3.61  36.38) = 100.000%  kept
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3286 (1.10, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.765, support = 2.01, residual support = 11.0:
          QG1   VAL  107 - HA    THR  118   3.95 +/- 0.18  93.629% * 24.6419% (0.88  1.00   1.50   5.81) =  83.178%  kept
        T HG13  ILE  119 - HA    THR  118   6.25 +/- 0.23   6.252% * 74.6264% (0.20 10.00   4.52  36.89) =  16.821%  kept
          HD3   LYS+ 112 - HA    THR  118  12.77 +/- 1.14   0.103% *  0.2800% (0.75  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    THR  118  20.36 +/- 1.94   0.006% *  0.3094% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    THR  118  20.73 +/- 1.10   0.005% *  0.0836% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    THR  118  20.38 +/- 0.89   0.005% *  0.0587% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 1 structures by 0.52 A, kept.
 
    Peak 3287 (1.50, 3.69, 67.42 ppm):
    10 chemical-shift based assignments, quality = 0.497, support = 2.52, residual support = 8.08:
        T HB3   LYS+ 121 - HA    THR  118   3.51 +/- 0.33  41.263% * 66.2491% (0.22 10.00   2.55   8.08) =  58.912%  kept
          HD2   LYS+ 121 - HA    THR  118   3.27 +/- 1.28  58.494% * 32.5941% (0.89  1.00   2.48   8.08) =  41.088%  kept
          QD    LYS+  66 - HA    THR  118  11.47 +/- 2.20   0.038% *  0.1929% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    THR  118   9.69 +/- 1.35   0.124% *  0.0465% (0.16  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR  118  10.63 +/- 1.17   0.062% *  0.0662% (0.22  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR  118  16.05 +/- 1.82   0.004% *  0.2657% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    THR  118  13.89 +/- 0.94   0.011% *  0.0592% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    THR  118  18.78 +/- 1.08   0.001% *  0.2219% (0.75  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    THR  118  20.57 +/- 0.65   0.001% *  0.2633% (0.89  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    THR  118  17.65 +/- 1.53   0.002% *  0.0410% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3288 (2.05, 3.69, 67.42 ppm):
    12 chemical-shift based assignments, quality = 0.681, support = 0.0199, residual support = 36.6:
        T HB    ILE  119 - HA    THR  118   5.86 +/- 0.09  93.733% * 57.0728% (0.69 10.00   0.02  36.89) =  99.327%  kept
          HB    VAL  108 - HA    THR  118  10.87 +/- 0.69   2.590% *  7.0645% (0.85  1.00   0.02   0.02) =   0.340%
          HB2   PRO   93 - HA    THR  118  12.37 +/- 2.20   2.111% *  7.0645% (0.85  1.00   0.02   0.02) =   0.277%
          HG2   PRO   58 - HA    THR  118  13.39 +/- 1.22   0.807% *  1.3079% (0.16  1.00   0.02   0.02) =   0.020%
          HB2   ARG+  54 - HA    THR  118  19.56 +/- 0.98   0.073% *  7.3202% (0.88  1.00   0.02   0.02) =   0.010%
          HB3   PRO   68 - HA    THR  118  15.88 +/- 2.15   0.391% *  1.1523% (0.14  1.00   0.02   0.02) =   0.008%
          HB3   GLU- 100 - HA    THR  118  18.92 +/- 1.09   0.088% *  5.1298% (0.62  1.00   0.02   0.02) =   0.008%
          HB2   GLN   30 - HA    THR  118  21.10 +/- 1.11   0.046% *  5.7073% (0.69  1.00   0.02   0.02) =   0.005%
          HG3   PRO   52 - HA    THR  118  18.51 +/- 1.62   0.117% *  1.3079% (0.16  1.00   0.02   0.02) =   0.003%
          HG3   GLN   30 - HA    THR  118  23.21 +/- 0.98   0.025% *  3.3482% (0.40  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HA    THR  118  25.02 +/- 1.44   0.017% *  1.6626% (0.20  1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - HA    THR  118  33.36 +/- 1.91   0.003% *  1.8622% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 20 structures by 2.12 A, eliminated.
    Peak unassigned.
 
    Peak 3289 (2.28, 3.69, 67.42 ppm):
    8 chemical-shift based assignments, quality = 0.402, support = 0.02, residual support = 36.8:
        T HG12  ILE  119 - HA    THR  118   5.07 +/- 0.15  99.400% * 44.9828% (0.40 10.00   0.02  36.89) =  99.879%  kept
          HB2   ASP-  44 - HA    THR  118  13.64 +/- 1.00   0.285% *  9.4912% (0.85  1.00   0.02   0.02) =   0.060%
          HB3   PHE   72 - HA    THR  118  14.99 +/- 1.26   0.164% *  8.7032% (0.78  1.00   0.02   0.02) =   0.032%
          QG    GLN   90 - HA    THR  118  18.06 +/- 2.33   0.078% *  8.0341% (0.72  1.00   0.02   0.02) =   0.014%
          QG    GLU-  15 - HA    THR  118  18.24 +/- 1.50   0.052% *  9.9446% (0.89  1.00   0.02   0.02) =   0.012%
          QG    GLU-  14 - HA    THR  118  22.68 +/- 1.37   0.013% *  9.2620% (0.83  1.00   0.02   0.02) =   0.003%
          QB    MET   11 - HA    THR  118  29.67 +/- 1.62   0.003% *  8.0341% (0.72  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    THR  118  26.55 +/- 0.88   0.005% *  1.5481% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 20 structures by 1.32 A, eliminated.
    Peak unassigned.
 
    Peak 3290 (3.89, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.0, residual support = 36.4:
      O T HB    THR  118 - HA    THR  118   3.02 +/- 0.05  99.907% * 99.8099% (0.72  10.0 10.00   3.00  36.38) = 100.000%  kept
          HA    PHE   60 - HA    THR  118  10.39 +/- 1.29   0.086% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR  118  16.69 +/- 1.00   0.004% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  19.14 +/- 1.10   0.002% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  22.89 +/- 0.95   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  23.72 +/- 1.41   0.000% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3291 (7.19, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.843, support = 0.0199, residual support = 10.6:
          QD    PHE   59 - HA    THR  118   6.95 +/- 1.05  99.369% * 25.6201% (0.85   0.02  10.66) =  99.389%  kept
          HE21  GLN   30 - HA    THR  118  19.86 +/- 1.06   0.269% * 26.1376% (0.87   0.02   0.02) =   0.274%
          HH2   TRP   49 - HA    THR  118  21.39 +/- 3.04   0.219% * 22.6222% (0.75   0.02   0.02) =   0.194%
          HD1   TRP   27 - HA    THR  118  21.84 +/- 1.00   0.143% * 25.6201% (0.85   0.02   0.02) =   0.143%
    Distance limit 3.40 A violated in 20 structures by 3.55 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 67.42 ppm):
    3 chemical-shift based assignments, quality = 0.47, support = 0.0199, residual support = 0.0199:
          HN    LEU  123 - HA    THR  118   6.96 +/- 0.21  99.430% * 43.4534% (0.47   0.02   0.02) =  99.523%  kept
          HZ2   TRP   49 - HA    THR  118  20.23 +/- 2.50   0.477% * 40.2018% (0.44   0.02   0.02) =   0.442%
          HE21  GLN   17 - HA    THR  118  22.68 +/- 1.78   0.094% * 16.3448% (0.18   0.02   0.02) =   0.035%
    Distance limit 3.78 A violated in 20 structures by 3.18 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 67.42 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 5.31, residual support = 36.9:
      O   HN    ILE  119 - HA    THR  118   3.58 +/- 0.04  99.989% * 99.6357% (0.51  10.0   5.31  36.89) = 100.000%  kept
          HN    CYS   21 - HA    THR  118  21.27 +/- 0.85   0.002% *  0.1698% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    THR  118  18.20 +/- 0.86   0.006% *  0.0600% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    THR  118  23.73 +/- 0.88   0.001% *  0.0996% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    THR  118  23.36 +/- 0.97   0.001% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3294 (8.20, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.508, support = 3.61, residual support = 36.4:
      O   HN    THR  118 - HA    THR  118   2.83 +/- 0.04  99.486% * 99.6520% (0.51  10.0   3.61  36.38) = 100.000%  kept
          HN    GLN  116 - HA    THR  118   6.89 +/- 0.22   0.486% *  0.0543% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    THR  118  11.46 +/- 1.06   0.027% *  0.1409% (0.72   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    THR  118  22.62 +/- 1.31   0.000% *  0.1527% (0.78   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3295 (3.70, 3.88, 68.07 ppm):
    7 chemical-shift based assignments, quality = 0.379, support = 3.05, residual support = 36.4:
      O T HA    THR  118 - HB    THR  118   3.02 +/- 0.05  93.385% * 73.6915% (0.38  10.0 10.00   3.00  36.38) =  97.615%  kept
          HA    ILE  119 - HB    THR  118   4.76 +/- 0.22   6.493% * 25.8899% (0.53   1.0  1.00   5.01  36.89) =   2.384%  kept
          HD3   PRO   58 - HB    THR  118  10.70 +/- 1.15   0.062% *  0.0956% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB    THR  118  10.81 +/- 0.99   0.055% *  0.0303% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    THR  118  18.40 +/- 0.60   0.002% *  0.1501% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    THR  118  17.99 +/- 0.65   0.002% *  0.0546% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    THR  118  21.51 +/- 1.81   0.001% *  0.0880% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3296 (1.11, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.515, support = 3.26, residual support = 7.88:
          QG1   VAL  107 - QG2   THR  118   2.10 +/- 0.48  96.777% * 31.3313% (0.51   3.10   5.81) =  93.341%  kept
          HG13  ILE  119 - QG2   THR  118   4.12 +/- 0.55   3.197% * 67.6657% (0.62   5.52  36.89) =   6.659%  kept
          HD3   LYS+ 112 - QG2   THR  118  10.52 +/- 1.26   0.022% *  0.3444% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   THR  118  15.05 +/- 1.58   0.001% *  0.3200% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   THR  118  15.60 +/- 1.19   0.001% *  0.2591% (0.65   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   THR  118  14.42 +/- 0.65   0.002% *  0.0794% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3297 (1.88, 0.24, 20.84 ppm):
    13 chemical-shift based assignments, quality = 0.254, support = 1.6, residual support = 4.91:
        T HB3   ASP- 105 - QG2   THR  118   3.73 +/- 1.40  84.983% * 76.9839% (0.25 10.00   1.60   4.96) =  97.805%  kept
          QB    LYS+ 106 - QG2   THR  118   5.35 +/- 0.98   8.991% * 15.3678% (0.51  1.00   1.57   2.94) =   2.066%  kept
          HB3   PRO   58 - QG2   THR  118  10.93 +/- 1.22   1.276% *  5.6413% (0.62  1.00   0.47   0.02) =   0.108%
          HB    ILE   56 - QG2   THR  118   8.41 +/- 0.89   4.122% *  0.3276% (0.85  1.00   0.02   0.02) =   0.020%
          HB2   MET   92 - QG2   THR  118  12.00 +/- 0.95   0.148% *  0.3004% (0.78  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QG2   THR  118   9.98 +/- 1.37   0.214% *  0.0771% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   THR  118  11.72 +/- 1.96   0.140% *  0.0685% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   THR  118  15.56 +/- 0.88   0.020% *  0.3342% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   THR  118  15.10 +/- 1.21   0.030% *  0.1552% (0.40  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   THR  118  15.10 +/- 1.04   0.042% *  0.0863% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   THR  118  16.84 +/- 1.32   0.010% *  0.3455% (0.89  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   THR  118  16.34 +/- 0.72   0.014% *  0.1300% (0.34  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   THR  118  17.58 +/- 0.49   0.010% *  0.1822% (0.47  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 3 structures by 0.48 A, kept.
 
    Peak 3298 (2.25, 0.24, 20.84 ppm):
    11 chemical-shift based assignments, quality = 0.568, support = 2.34, residual support = 11.4:
        T HB2   ASP- 105 - QG2   THR  118   2.86 +/- 1.40  67.212% * 65.2175% (0.51 10.00   1.60   4.96) =  79.747%  kept
          HG12  ILE  119 - QG2   THR  118   3.08 +/- 0.52  32.632% * 34.1140% (0.80  1.00   5.28  36.89) =  20.252%  kept
          HB2   ASP-  44 - QG2   THR  118   8.81 +/- 0.68   0.095% *  0.0541% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   THR  118  10.29 +/- 0.96   0.037% *  0.0701% (0.44  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   THR  118  12.88 +/- 1.12   0.008% *  0.1330% (0.83  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   THR  118  13.38 +/- 1.57   0.006% *  0.0816% (0.51  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   THR  118  13.77 +/- 1.23   0.005% *  0.0401% (0.25  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   THR  118  14.83 +/- 1.39   0.003% *  0.0401% (0.25  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   THR  118  17.18 +/- 1.20   0.001% *  0.0592% (0.37  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   THR  118  19.98 +/- 0.78   0.000% *  0.1412% (0.88  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   THR  118  17.13 +/- 0.70   0.001% *  0.0491% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3299 (3.70, 0.24, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.372, support = 3.96, residual support = 36.5:
      O T HA    THR  118 - QG2   THR  118   2.62 +/- 0.13  80.006% * 41.5367% (0.34  10.0 10.00   3.61  36.38) =  74.164%  kept
        T HA    ILE  119 - QG2   THR  118   3.38 +/- 0.23  19.882% * 58.2274% (0.47   1.0 10.00   4.95  36.89) =  25.836%  kept
          HD3   PRO   58 - QG2   THR  118   9.51 +/- 1.13   0.073% *  0.0539% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - QG2   THR  118   9.87 +/- 0.70   0.032% *  0.0171% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   THR  118  14.25 +/- 0.46   0.003% *  0.0846% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  14.20 +/- 0.52   0.003% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   THR  118  18.26 +/- 1.72   0.001% *  0.0496% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3300 (3.89, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.61, residual support = 36.4:
      O T HB    THR  118 - QG2   THR  118   2.15 +/- 0.01  99.605% * 99.8099% (0.72  10.0 10.00   3.61  36.38) = 100.000%  kept
          HA    PHE   60 - QG2   THR  118   6.34 +/- 1.18   0.390% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR  118  12.05 +/- 0.64   0.004% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  14.59 +/- 1.05   0.001% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  17.72 +/- 0.94   0.000% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  18.34 +/- 1.04   0.000% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3301 (6.83, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 0.983, residual support = 2.94:
          HD2   HIS  122 - QG2   THR  118   3.34 +/- 0.13  99.256% * 96.4982% (0.90   0.98   2.94) =  99.989%  kept
          HE22  GLN  116 - QG2   THR  118   8.41 +/- 0.69   0.451% *  1.9583% (0.89   0.02   0.02) =   0.009%
          QD    PHE   45 - QG2   THR  118   8.95 +/- 0.45   0.287% *  0.7366% (0.34   0.02   0.02) =   0.002%
          HE22  GLN   17 - QG2   THR  118  17.72 +/- 1.55   0.005% *  0.8069% (0.37   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.38 A, kept.
 
    Peak 3302 (7.19, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 3.62, residual support = 10.7:
          QD    PHE   59 - QG2   THR  118   4.45 +/- 1.19  99.549% * 98.4200% (0.85   3.62  10.66) =  99.998%  kept
          HE21  GLN   30 - QG2   THR  118  14.43 +/- 0.89   0.251% *  0.5552% (0.87   0.02   0.02) =   0.001%
          HD1   TRP   27 - QG2   THR  118  15.98 +/- 0.75   0.122% *  0.5442% (0.85   0.02   0.02) =   0.001%
          HH2   TRP   49 - QG2   THR  118  16.14 +/- 2.66   0.078% *  0.4806% (0.75   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 9 structures by 1.15 A, kept.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.95, residual support = 36.9:
        T QG2   THR  118 - HA    ILE  119   3.38 +/- 0.23 100.000% *100.0000% (0.57 10.00   4.95  36.89) = 100.000%  kept
    Distance limit 3.64 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.507, support = 4.3, residual support = 36.0:
          QB    ALA  120 - HA    ILE  119   5.01 +/- 0.02  46.650% * 56.0862% (0.45   5.16  55.40) =  62.588%  kept
          HD2   LYS+ 121 - HA    ILE  119   5.53 +/- 1.14  37.108% * 42.0719% (0.61   2.86   3.58) =  37.346%  kept
          HG    LEU  115 - HA    ILE  119   7.69 +/- 1.10   6.924% *  0.2173% (0.45   0.02   8.16) =   0.036%
          QD    LYS+  66 - HA    ILE  119   7.66 +/- 2.19   8.655% *  0.1208% (0.25   0.02   0.02) =   0.025%
          HG2   LYS+  65 - HA    ILE  119  11.90 +/- 1.63   0.343% *  0.3329% (0.69   0.02   0.02) =   0.003%
          HB3   LEU   40 - HA    ILE  119  12.72 +/- 1.83   0.270% *  0.3329% (0.69   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HA    ILE  119  16.79 +/- 0.74   0.034% *  0.4677% (0.97   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ILE  119  19.40 +/- 0.98   0.014% *  0.3703% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 11 structures by 0.75 A, kept.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.944, support = 0.02, residual support = 19.0:
          QD    PHE   59 - HA    ILE  119   5.21 +/- 0.75  99.805% * 25.6201% (0.95   0.02  19.06) =  99.809%  kept
          HE21  GLN   30 - HA    ILE  119  18.20 +/- 1.54   0.113% * 26.1376% (0.97   0.02   0.02) =   0.115%
          HH2   TRP   49 - HA    ILE  119  21.89 +/- 2.81   0.049% * 22.6222% (0.84   0.02   0.02) =   0.043%
          HD1   TRP   27 - HA    ILE  119  21.83 +/- 1.35   0.033% * 25.6201% (0.95   0.02   0.02) =   0.033%
    Distance limit 3.19 A violated in 19 structures by 2.01 A, eliminated.
    Peak unassigned.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.73, residual support = 256.7:
      O   HN    ILE  119 - HA    ILE  119   2.83 +/- 0.01  99.997% * 99.7485% (0.98  10.0   8.73 256.71) = 100.000%  kept
          HN    CYS   21 - HA    ILE  119  19.69 +/- 0.89   0.001% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ILE  119  19.83 +/- 0.75   0.001% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE  119  22.47 +/- 1.85   0.000% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  22.92 +/- 1.69   0.000% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3307 (7.45, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.207, support = 5.89, residual support = 52.6:
      O   HN    ALA  120 - HA    ILE  119   3.61 +/- 0.02  86.988% * 72.3669% (0.18  10.0   6.12  55.40) =  94.889%  kept
          HN    LEU  123 - HA    ILE  119   5.01 +/- 0.22  12.639% * 26.8148% (0.80   1.0   1.62   0.02) =   5.109%  kept
          HN    ALA  124 - HA    ILE  119   9.00 +/- 0.27   0.369% *  0.4050% (0.98   1.0   0.02   0.02) =   0.002%
          HE21  GLN   17 - HA    ILE  119  19.12 +/- 1.42   0.005% *  0.4132% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 2.69, residual support = 14.4:
          HA    GLN  116 - HB    ILE  119   2.80 +/- 0.55  99.978% * 96.7642% (0.84   2.69  14.44) = 100.000%  kept
          HA    VAL   70 - HB    ILE  119  14.87 +/- 1.54   0.009% *  0.7193% (0.84   0.02   0.02) =   0.000%
          HA    VAL   18 - HB    ILE  119  16.02 +/- 1.13   0.006% *  0.3921% (0.46   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB    ILE  119  15.65 +/- 1.06   0.006% *  0.2300% (0.27   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    ILE  119  23.47 +/- 1.86   0.001% *  0.4821% (0.56   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    ILE  119  26.71 +/- 1.87   0.000% *  0.5412% (0.63   0.02   0.02) =   0.000%
          HA    SER   48 - HB    ILE  119  22.31 +/- 1.07   0.001% *  0.1150% (0.13   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    ILE  119  28.12 +/- 1.73   0.000% *  0.4220% (0.49   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    ILE  119  29.16 +/- 1.16   0.000% *  0.3341% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.524, support = 5.01, residual support = 55.1:
          HN    ALA  120 - HB    ILE  119   2.63 +/- 0.16  92.197% * 93.1361% (0.53   5.03  55.40) =  99.541%  kept
          HE21  GLN  116 - HB    ILE  119   4.94 +/- 1.34   6.975% *  5.6472% (0.22   0.74  14.44) =   0.457%
          HN    LEU  123 - HB    ILE  119   5.97 +/- 0.24   0.740% *  0.1883% (0.27   0.02   0.02) =   0.002%
          HN    ALA  124 - HB    ILE  119   9.47 +/- 0.33   0.047% *  0.4885% (0.69   0.02   0.02) =   0.000%
          HN    ALA   57 - HB    ILE  119  10.84 +/- 1.25   0.040% *  0.1207% (0.17   0.02   0.02) =   0.000%
          HE21  GLN   17 - HB    ILE  119  20.39 +/- 1.38   0.001% *  0.4191% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 7.55, residual support = 256.7:
      O   HN    ILE  119 - HB    ILE  119   2.44 +/- 0.12  99.999% * 99.7485% (0.85  10.0   7.55 256.71) = 100.000%  kept
          HN    ILE   89 - HB    ILE  119  20.84 +/- 0.90   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    ILE  119  21.33 +/- 1.27   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  25.24 +/- 1.95   0.000% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  25.51 +/- 1.83   0.000% *  0.0157% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 3.85, residual support = 55.4:
          HA    ALA  120 - QG2   ILE  119   3.62 +/- 0.18  96.663% * 94.9065% (0.57   3.85  55.40) =  99.988%  kept
          HA    LYS+  65 - QG2   ILE  119   8.68 +/- 1.19   0.779% *  0.8240% (0.95   0.02   0.02) =   0.007%
          HA    LYS+ 121 - QG2   ILE  119   6.73 +/- 0.18   2.401% *  0.1724% (0.20   0.02   3.58) =   0.005%
          HA2   GLY   16 - QG2   ILE  119  12.40 +/- 0.96   0.067% *  0.7812% (0.90   0.02   0.02) =   0.001%
          HD2   PRO   52 - QG2   ILE  119  15.98 +/- 0.84   0.015% *  0.6657% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - QG2   ILE  119  13.40 +/- 0.81   0.042% *  0.2172% (0.25   0.02   0.02) =   0.000%
          QB    SER   85 - QG2   ILE  119  20.35 +/- 0.88   0.003% *  0.7812% (0.90   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   ILE  119  17.98 +/- 0.83   0.007% *  0.2971% (0.34   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   ILE  119  20.02 +/- 0.99   0.004% *  0.4583% (0.53   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   ILE  119  18.57 +/- 0.95   0.006% *  0.2689% (0.31   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   ILE  119  17.13 +/- 0.97   0.010% *  0.1344% (0.15   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   ILE  119  21.89 +/- 1.91   0.002% *  0.4932% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.592, support = 5.47, residual support = 52.7:
          HN    ALA  120 - QG2   ILE  119   3.50 +/- 0.18  61.555% * 82.2759% (0.61   5.63  55.40) =  95.133%  kept
          HN    LEU  123 - QG2   ILE  119   4.47 +/- 0.31  15.247% * 16.7924% (0.31   2.26   0.02) =   4.809%  kept
          HE21  GLN  116 - QG2   ILE  119   4.89 +/- 1.37  21.760% *  0.1201% (0.25   0.02  14.44) =   0.049%
          HN    ALA  124 - QG2   ILE  119   6.89 +/- 0.36   1.125% *  0.3856% (0.80   0.02   0.02) =   0.008%
          HN    ALA   57 - QG2   ILE  119   9.10 +/- 1.18   0.300% *  0.0953% (0.20   0.02   0.02) =   0.001%
          HE21  GLN   17 - QG2   ILE  119  15.35 +/- 1.25   0.012% *  0.3307% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3313 (7.91, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.88, residual support = 256.7:
          HN    ILE  119 - QG2   ILE  119   3.70 +/- 0.02  99.975% * 99.2749% (0.80   7.88 256.71) = 100.000%  kept
          HN    ILE   89 - QG2   ILE  119  18.01 +/- 0.85   0.008% *  0.3037% (0.97   0.02   0.02) =   0.000%
          HN    SER   37 - QG2   ILE  119  19.97 +/- 1.96   0.005% *  0.3140% (1.00   0.02   0.02) =   0.000%
          HN    CYS   21 - QG2   ILE  119  16.94 +/- 1.25   0.012% *  0.1074% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 0.861, support = 1.84, residual support = 7.31:
          QD2   LEU  115 - HG12  ILE  119   3.55 +/- 0.81  59.030% * 82.4421% (0.90   2.00   8.16) =  89.179%  kept
          QD1   LEU   63 - HG12  ILE  119   3.86 +/- 0.98  40.850% * 14.4536% (0.57   0.55   0.25) =  10.819%  kept
          QD1   LEU  104 - HG12  ILE  119  10.91 +/- 1.58   0.089% *  0.9212% (1.00   0.02   0.02) =   0.002%
          QD1   LEU   73 - HG12  ILE  119  14.38 +/- 1.31   0.010% *  0.5216% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG12  ILE  119  17.33 +/- 1.01   0.003% *  0.8504% (0.92   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG12  ILE  119  13.30 +/- 0.75   0.016% *  0.1421% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG12  ILE  119  19.19 +/- 1.20   0.002% *  0.6689% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.852, support = 1.84, residual support = 7.1:
          QD2   LEU  115 - HG13  ILE  119   3.67 +/- 1.49  49.190% * 84.1898% (0.90   2.05   8.16) =  86.517%  kept
          QD1   LEU   63 - HG13  ILE  119   3.96 +/- 1.49  50.690% * 12.7303% (0.57   0.49   0.25) =  13.481%  kept
          QD1   LEU  104 - HG13  ILE  119  11.39 +/- 1.89   0.092% *  0.9140% (1.00   0.02   0.02) =   0.002%
          QD1   LEU   73 - HG13  ILE  119  14.44 +/- 1.97   0.012% *  0.5175% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG13  ILE  119  17.50 +/- 1.45   0.003% *  0.8437% (0.92   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG13  ILE  119  13.74 +/- 0.87   0.011% *  0.1410% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG13  ILE  119  19.53 +/- 1.46   0.001% *  0.6637% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.81 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   9.95 +/- 2.21 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.53 A violated in 20 structures by 6.42 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.03, residual support = 19.1:
          QD    PHE   59 - HG13  ILE  119   3.33 +/- 0.77  99.967% * 98.1217% (0.95   3.03  19.06) = 100.000%  kept
          HH2   TRP   49 - HG13  ILE  119  19.77 +/- 2.58   0.016% *  0.5713% (0.84   0.02   0.02) =   0.000%
          HE21  GLN   30 - HG13  ILE  119  18.49 +/- 2.52   0.013% *  0.6601% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG13  ILE  119  21.64 +/- 2.06   0.004% *  0.6470% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 2 structures by 0.17 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.96, residual support = 256.7:
          HN    ILE  119 - HG13  ILE  119   3.23 +/- 0.47  99.990% * 99.1800% (0.80   6.96 256.71) = 100.000%  kept
          HN    ILE   89 - HG13  ILE  119  19.05 +/- 1.04   0.004% *  0.3435% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - HG13  ILE  119  19.11 +/- 1.96   0.005% *  0.1214% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE  119  23.91 +/- 2.70   0.001% *  0.3551% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 3.82, residual support = 19.1:
          QD    PHE   59 - HG12  ILE  119   3.06 +/- 0.93  99.973% * 98.9886% (0.84   3.82  19.06) = 100.000%  kept
          HE21  GLN   30 - HG12  ILE  119  18.62 +/- 1.64   0.014% *  0.3019% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG12  ILE  119  21.38 +/- 1.45   0.005% *  0.5181% (0.84   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG12  ILE  119  19.37 +/- 2.61   0.008% *  0.1914% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 2 structures by 0.25 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.86, residual support = 256.7:
          HN    ILE  119 - HG12  ILE  119   2.18 +/- 0.18  99.999% * 99.2731% (0.80   7.86 256.71) = 100.000%  kept
          HN    ILE   89 - HG12  ILE  119  18.36 +/- 0.89   0.000% *  0.3045% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE  119  19.23 +/- 1.08   0.000% *  0.1076% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE  119  23.88 +/- 1.89   0.000% *  0.3148% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 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   8.82 +/- 1.22 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.01 A violated in 20 structures by 5.81 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.334, support = 3.59, residual support = 6.17:
          QD2   LEU  115 - QD1   ILE  119   2.50 +/- 0.60  72.314% * 50.0950% (0.40  1.00   4.45   8.16) =  74.774%  kept
        T QD1   LEU   63 - QD1   ILE  119   3.33 +/- 0.96  27.651% * 44.1974% (0.15 10.00   1.05   0.25) =  25.225%  kept
        T QD1   LEU  104 - QD1   ILE  119  10.36 +/- 1.52   0.017% *  3.7610% (0.66 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QD1   ILE  119  12.28 +/- 1.48   0.006% *  0.8448% (0.15 10.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD1   ILE  119  11.42 +/- 0.90   0.010% *  0.3100% (0.55  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   ILE  119  16.45 +/- 1.33   0.001% *  0.5463% (0.96  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   ILE  119  14.62 +/- 1.18   0.002% *  0.2455% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.98, residual support = 14.4:
        T HA    GLN  116 - QD1   ILE  119   3.30 +/- 0.65  99.685% * 99.4587% (0.51 10.00   3.98  14.44) = 100.000%  kept
          HA    VAL   70 - QD1   ILE  119  11.97 +/- 1.59   0.125% *  0.0995% (0.51  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QD1   ILE  119  11.99 +/- 1.06   0.079% *  0.1514% (0.77  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QD1   ILE  119  11.57 +/- 1.05   0.099% *  0.0256% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QD1   ILE  119  19.15 +/- 1.90   0.006% *  0.1886% (0.96  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD1   ILE  119  21.47 +/- 1.93   0.003% *  0.0471% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  22.21 +/- 1.79   0.002% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 1 structures by 0.31 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.856, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119   7.61 +/- 1.44  58.829% * 81.6578% (0.96 10.00   0.02   0.02) =  86.416%  kept
        T QD    PHE   72 - QD1   ILE  119   8.04 +/- 0.99  41.171% * 18.3422% (0.21 10.00   0.02   0.02) =  13.584%  kept
    Distance limit 3.24 A violated in 20 structures by 3.59 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.514, support = 0.02, residual support = 0.02:
          QD    PHE   95 - QD1   ILE  119   5.60 +/- 1.42  71.609% * 23.3518% (0.47   0.02   0.02) =  66.524%  kept
          QE    PHE   72 - QD1   ILE  119   6.86 +/- 1.12  27.561% * 29.0981% (0.59   0.02   0.02) =  31.905%  kept
          HN    ALA   47 - QD1   ILE  119  12.57 +/- 0.71   0.831% * 47.5501% (0.96   0.02   0.02) =   1.571%  kept
    Distance limit 3.28 A violated in 16 structures by 1.93 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.849, support = 1.51, residual support = 15.6:
          HN    HIS  122 - QD1   ILE  119   6.24 +/- 0.51  13.030% * 98.1927% (0.87   1.56  15.52) =  96.844%  kept
          HN    PHE   59 - QD1   ILE  119   4.39 +/- 0.99  86.923% *  0.4790% (0.33   0.02  19.06) =   3.151%  kept
          HH2   TRP   87 - QD1   ILE  119  17.07 +/- 2.27   0.047% *  1.3283% (0.91   0.02   0.02) =   0.005%
    Distance limit 3.43 A violated in 4 structures by 0.70 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.96, residual support = 256.7:
          HN    ILE  119 - QD1   ILE  119   3.47 +/- 0.27  99.968% * 99.2806% (0.95   6.96 256.71) = 100.000%  kept
          HN    CYS   21 - QD1   ILE  119  15.89 +/- 1.25   0.013% *  0.2431% (0.81   0.02   0.02) =   0.000%
          HN    ILE   89 - QD1   ILE  119  16.03 +/- 1.10   0.012% *  0.2431% (0.81   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE  119  20.59 +/- 2.01   0.003% *  0.1883% (0.62   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE  119  20.32 +/- 1.90   0.003% *  0.0449% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.23, residual support = 25.1:
        T QD1   LEU  123 - HA    ALA  120   2.24 +/- 0.35  99.904% * 99.1996% (0.45 10.00   5.23  25.10) = 100.000%  kept
          HB3   LEU   63 - HA    ALA  120   9.80 +/- 1.69   0.042% *  0.2169% (0.98  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HA    ALA  120  10.89 +/- 1.65   0.018% *  0.1520% (0.69  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    ALA  120  15.33 +/- 3.35   0.027% *  0.0992% (0.45  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    ALA  120  12.45 +/- 1.07   0.006% *  0.0388% (0.18  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    ALA  120  15.40 +/- 0.79   0.001% *  0.1164% (0.53  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    ALA  120  16.76 +/- 0.93   0.001% *  0.1772% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.501, support = 3.6, residual support = 20.0:
          HN    LEU  123 - HA    ALA  120   2.65 +/- 0.15  56.714% * 44.8341% (0.80   1.0   3.60  25.10) =  52.115%  kept
      O   HN    ALA  120 - HA    ALA  120   2.78 +/- 0.05  42.827% * 54.5491% (0.18  10.0   3.61  14.41) =  47.882%  kept
          HN    ALA  124 - HA    ALA  120   5.91 +/- 0.23   0.459% *  0.3053% (0.98   1.0   0.02   0.02) =   0.003%
          HE21  GLN   17 - HA    ALA  120  22.14 +/- 1.53   0.000% *  0.3115% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 6.32, residual support = 314.8:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.76 +/- 0.01  99.995% * 99.7700% (0.45  10.0   6.32 314.85) = 100.000%  kept
          HZ2   TRP   49 - HA    LYS+ 121  25.11 +/- 2.52   0.000% *  0.2105% (0.95   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 121 - HA    LYS+  65  15.04 +/- 1.49   0.004% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HA    LYS+  65  24.03 +/- 2.41   0.000% *  0.0132% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 0.878, support = 2.68, residual support = 7.61:
          HA    THR  118 - HB2   LYS+ 121   2.64 +/- 0.68  94.468% * 33.1605% (0.87   2.47   8.08) =  89.565%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.76 +/- 0.28   5.525% * 66.0563% (0.97   4.43   3.58) =  10.435%  kept
          HA2   GLY  109 - HB2   LYS+ 121  15.50 +/- 1.35   0.005% *  0.1751% (0.57   0.02   0.02) =   0.000%
          HA    ALA   84 - HB2   LYS+ 121  21.35 +/- 0.96   0.001% *  0.2364% (0.76   0.02   0.02) =   0.000%
          HA    VAL   75 - HB2   LYS+ 121  21.46 +/- 0.93   0.001% *  0.0860% (0.28   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB2   LYS+ 121  26.57 +/- 2.06   0.000% *  0.2856% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.56, residual support = 8.03:
        T HA    THR  118 - HB3   LYS+ 121   3.51 +/- 0.33  94.949% * 81.3373% (0.72 10.00   2.55   8.08) =  98.813%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.85 +/- 0.49   5.036% * 18.4253% (0.81  1.00   4.07   3.58) =   1.187%  kept
          HA2   GLY  109 - HB3   LYS+ 121  16.21 +/- 1.33   0.012% *  0.0531% (0.47  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   LYS+ 121  22.01 +/- 1.15   0.002% *  0.0717% (0.64  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB3   LYS+ 121  27.55 +/- 2.16   0.001% *  0.0866% (0.77  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  22.25 +/- 1.32   0.002% *  0.0261% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.25, residual support = 314.8:
      O   HN    LYS+ 121 - HB3   LYS+ 121   2.95 +/- 0.44  99.998% * 99.9582% (0.75  10.0   6.25 314.85) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  23.48 +/- 2.70   0.002% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.26, residual support = 50.9:
          HN    HIS  122 - HB3   LYS+ 121   3.98 +/- 0.37  99.932% * 99.5432% (0.75   6.26  50.89) = 100.000%  kept
          HN    PHE   59 - HB3   LYS+ 121  14.13 +/- 1.20   0.059% *  0.1211% (0.28   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   LYS+ 121  19.50 +/- 1.91   0.009% *  0.3357% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.31 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.51, residual support = 50.9:
          HN    HIS  122 - HB2   LYS+ 121   3.42 +/- 0.18  99.384% * 99.2487% (0.41   7.51  50.89) =  99.999%  kept
          QD    PHE   59 - HB2   LYS+ 121   8.37 +/- 0.94   0.610% *  0.2192% (0.34   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB2   LYS+ 121  19.20 +/- 1.69   0.004% *  0.3128% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 121  22.80 +/- 1.23   0.001% *  0.2192% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 6.8, residual support = 314.8:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.23 +/- 0.37 100.000% * 99.9061% (0.92  10.0   6.80 314.85) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  22.59 +/- 2.64   0.000% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.466, support = 1.08, residual support = 7.91:
          QD2   LEU   67 - HB2   HIS  122   4.51 +/- 2.76  67.115% * 26.1943% (0.41   0.69   0.73) =  51.392%  kept
          QG2   ILE  119 - HB2   HIS  122   4.98 +/- 1.00  22.929% * 72.3600% (0.53   1.50  15.52) =  48.502%  kept
          QD1   LEU   40 - HB2   HIS  122   7.15 +/- 1.85   9.638% *  0.3629% (0.20   0.02   0.02) =   0.102%
          QD2   LEU   71 - HB2   HIS  122  11.46 +/- 2.36   0.301% *  0.4573% (0.25   0.02   0.02) =   0.004%
          QD1   ILE  103 - HB2   HIS  122  13.42 +/- 1.39   0.016% *  0.6255% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 1 structures by 0.13 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.535, support = 0.0198, residual support = 0.0198:
          QD1   LEU  104 - HB2   HIS  122   7.70 +/- 1.68  36.394% * 20.0916% (0.69   0.02   0.02) =  67.163%  kept
          QD1   LEU   63 - HB2   HIS  122   6.90 +/- 0.83  53.838% *  4.5130% (0.15   0.02   0.02) =  22.317%  kept
          QD2   LEU  115 - HB2   HIS  122   9.56 +/- 1.33   8.646% * 12.0248% (0.41   0.02   0.02) =   9.549%  kept
          QG2   ILE   89 - HB2   HIS  122  17.19 +/- 0.93   0.228% * 16.5597% (0.57   0.02   0.02) =   0.347%
          QD1   LEU   73 - HB2   HIS  122  14.19 +/- 1.22   0.707% *  4.5130% (0.15   0.02   0.02) =   0.293%
          QG1   VAL   83 - HB2   HIS  122  20.92 +/- 1.12   0.072% * 29.1845% (1.00   0.02   0.02) =   0.193%
          QD2   LEU   80 - HB2   HIS  122  19.20 +/- 1.04   0.115% * 13.1134% (0.45   0.02   0.02) =   0.138%
    Distance limit 3.99 A violated in 18 structures by 2.14 A, eliminated.
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.49, residual support = 68.7:
      O   HD2   HIS  122 - HB2   HIS  122   3.61 +/- 0.43  99.828% * 99.8219% (1.00  10.0   3.49  68.74) = 100.000%  kept
          HE22  GLN  116 - HB2   HIS  122  10.96 +/- 1.45   0.149% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB2   HIS  122  15.74 +/- 0.97   0.017% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   HIS  122  19.78 +/- 1.65   0.006% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3343 (7.21, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.36, residual support = 68.7:
      O   HN    HIS  122 - HB2   HIS  122   3.37 +/- 0.56  99.728% * 99.7165% (0.41  10.0   5.36  68.74) = 100.000%  kept
          QD    PHE   59 - HB2   HIS  122   9.31 +/- 1.26   0.267% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   HIS  122  20.20 +/- 1.91   0.003% *  0.1181% (0.49   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   HIS  122  22.46 +/- 1.64   0.002% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3344 (6.83, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.92, residual support = 68.7:
      O   HD2   HIS  122 - HB3   HIS  122   3.06 +/- 0.49  99.864% * 99.8219% (1.00  10.0   3.92  68.74) = 100.000%  kept
          HE22  GLN  116 - HB3   HIS  122  10.30 +/- 0.85   0.123% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB3   HIS  122  15.32 +/- 0.89   0.010% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   HIS  122  19.76 +/- 1.63   0.003% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3345 (7.23, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 6.03, residual support = 68.7:
      O   HN    HIS  122 - HB3   HIS  122   2.85 +/- 0.42  99.976% * 99.8567% (0.90  10.0   6.03  68.74) = 100.000%  kept
          HN    PHE   59 - HB3   HIS  122  12.39 +/- 1.13   0.022% *  0.0380% (0.34   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   HIS  122  19.99 +/- 1.84   0.001% *  0.1053% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3346 (0.94, 2.76, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.484, support = 1.19, residual support = 10.4:
          QG2   ILE  119 - HB3   HIS  122   4.40 +/- 0.88  40.734% * 67.6219% (0.53  1.00   1.43  15.52) =  65.063%  kept
          QD2   LEU   67 - HB3   HIS  122   4.81 +/- 2.17  52.597% * 27.7527% (0.41  1.00   0.75   0.73) =  34.479%  kept
        T QD1   LEU   40 - HB3   HIS  122   7.36 +/- 1.89   5.264% *  3.5625% (0.20 10.00   0.02   0.02) =   0.443%
          QD2   LEU   71 - HB3   HIS  122  11.65 +/- 2.68   1.363% *  0.4489% (0.25  1.00   0.02   0.02) =   0.014%
          QD1   ILE  103 - HB3   HIS  122  13.26 +/- 1.56   0.042% *  0.6141% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.681, support = 3.13, residual support = 25.1:
          HA    ALA  120 - HG    LEU  123   2.31 +/- 0.63  99.610% * 94.8747% (0.68  1.00   3.13  25.10) =  99.998%  kept
          HA    LYS+ 121 - HG    LEU  123   6.78 +/- 0.37   0.317% *  0.4197% (0.47  1.00   0.02   2.19) =   0.001%
          QB    SER  117 - HG    LEU  123   8.77 +/- 0.63   0.056% *  0.2084% (0.23  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG    LEU  123  13.11 +/- 1.32   0.013% *  0.5103% (0.57  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG    LEU  123  17.27 +/- 1.28   0.002% *  0.5479% (0.62  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG    LEU  123  23.49 +/- 0.86   0.000% *  1.5235% (0.17 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG    LEU  123  20.25 +/- 0.74   0.001% *  0.4669% (0.52  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG    LEU  123  25.75 +/- 0.92   0.000% *  0.5300% (0.60  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG    LEU  123  24.72 +/- 1.05   0.000% *  0.3706% (0.42  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG    LEU  123  27.94 +/- 0.89   0.000% *  0.5479% (0.62  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 5.52, residual support = 200.3:
          HN    LEU  123 - HG    LEU  123   3.67 +/- 0.26  99.996% * 99.5304% (0.36   5.52 200.31) = 100.000%  kept
          HZ2   TRP   49 - HG    LEU  123  25.21 +/- 1.90   0.001% *  0.3339% (0.33   0.02   0.02) =   0.000%
          HE21  GLN   17 - HG    LEU  123  21.65 +/- 1.68   0.003% *  0.1357% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.13, residual support = 25.1:
          HA    ALA  120 - HB3   LEU  123   3.20 +/- 0.63  97.836% * 96.1936% (0.99   3.13  25.10) =  99.991%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.32 +/- 0.55   1.965% *  0.4255% (0.69   0.02   2.19) =   0.009%
          QB    SER  117 - HB3   LEU  123   9.55 +/- 0.72   0.166% *  0.2113% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   LEU  123  14.01 +/- 1.37   0.024% *  0.5174% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LEU  123  17.77 +/- 1.52   0.006% *  0.5556% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LEU  123  21.49 +/- 1.30   0.001% *  0.4734% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LEU  123  27.24 +/- 1.36   0.000% *  0.5374% (0.87   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LEU  123  26.66 +/- 1.68   0.000% *  0.3757% (0.61   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LEU  123  28.85 +/- 1.30   0.000% *  0.5556% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   LEU  123  25.31 +/- 1.52   0.001% *  0.1545% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.923, support = 5.38, residual support = 174.5:
      O   HN    LEU  123 - HB3   LEU  123   3.18 +/- 0.54  45.185% * 88.3639% (0.98  10.0   5.52 200.31) =  86.289%  kept
          HN    ALA  124 - HB3   LEU  123   3.30 +/- 0.53  54.814% * 11.5741% (0.57   1.0   4.54  12.20) =  13.711%  kept
          HE21  GLN   17 - HB3   LEU  123  22.37 +/- 2.03   0.000% *  0.0619% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 3.14, residual support = 25.1:
          HA    ALA  120 - HB2   LEU  123   2.33 +/- 0.64  99.043% * 88.6782% (0.99  1.00   3.14  25.10) =  99.960%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.36 +/- 0.81   0.873% *  3.9191% (0.69 10.00   0.02   2.19) =   0.039%
        T HA    LYS+  65 - HB2   LEU  123  13.89 +/- 1.61   0.015% *  4.7655% (0.84 10.00   0.02   0.02) =   0.001%
          QB    SER  117 - HB2   LEU  123   8.69 +/- 0.67   0.065% *  0.1946% (0.34  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU  123  17.69 +/- 1.60   0.003% *  0.5117% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU  123  20.53 +/- 0.80   0.001% *  0.4360% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU  123  26.58 +/- 1.10   0.000% *  0.4949% (0.87  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU  123  25.99 +/- 1.24   0.000% *  0.3460% (0.61  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU  123  27.95 +/- 0.97   0.000% *  0.5117% (0.90  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   LEU  123  24.55 +/- 1.09   0.000% *  0.1423% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 0.974, support = 5.83, residual support = 197.3:
      O   HN    LEU  123 - HB2   LEU  123   2.40 +/- 0.48  88.046% * 89.1724% (0.98  10.0   5.85 200.31) =  98.387%  kept
          HN    ALA  124 - HB2   LEU  123   4.03 +/- 0.37  11.953% * 10.7651% (0.57   1.0   4.18  12.20) =   1.613%  kept
          HE21  GLN   17 - HB2   LEU  123  22.23 +/- 2.00   0.000% *  0.0625% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 5.23, residual support = 25.1:
        T HA    ALA  120 - QD1   LEU  123   2.24 +/- 0.35  99.193% * 98.4994% (0.57 10.00   5.23  25.10) = 100.000%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.32 +/- 0.37   0.772% *  0.0344% (0.20  1.00   0.02   2.19) =   0.000%
          HA    LYS+  65 - QD1   LEU  123   9.91 +/- 1.60   0.027% *  0.1646% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  123  13.27 +/- 1.38   0.005% *  0.1560% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QD1   LEU  123  21.83 +/- 1.20   0.000% *  0.5370% (0.31 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  16.17 +/- 0.82   0.001% *  0.0434% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD1   LEU  123  19.20 +/- 0.98   0.000% *  0.1330% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  123  22.62 +/- 0.87   0.000% *  0.1560% (0.90  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD1   LEU  123  22.92 +/- 1.85   0.000% *  0.0985% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  22.47 +/- 0.99   0.000% *  0.0915% (0.53  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  123  20.88 +/- 1.06   0.000% *  0.0593% (0.34  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  20.33 +/- 1.09   0.000% *  0.0268% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3354 (7.46, 1.35, 20.20 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 1.81, residual support = 9.22:
      O   HN    ALA  124 - QB    ALA  124   2.37 +/- 0.29  98.616% * 99.6754% (0.57  10.0   1.81   9.22) =  99.997%  kept
          HN    LEU  123 - QB    ALA  124   5.47 +/- 0.43   1.383% *  0.1908% (0.98   1.0   0.02  12.20) =   0.003%
          HE21  GLN   17 - QB    ALA  124  19.33 +/- 2.02   0.000% *  0.1337% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 1.81, residual support = 9.22:
      O   HN    ALA  124 - HA    ALA  124   2.74 +/- 0.23  98.339% * 99.7392% (0.98  10.0   1.81   9.22) =  99.999%  kept
          HN    LEU  123 - HA    ALA  124   5.64 +/- 0.28   1.600% *  0.0901% (0.80   1.0   0.02  12.20) =   0.001%
          HN    ALA  120 - HA    ALA  124   9.82 +/- 0.46   0.056% *  0.0197% (0.18   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   34  16.56 +/- 2.13   0.003% *  0.0130% (0.12   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA  124  23.54 +/- 2.00   0.000% *  0.1125% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  20.87 +/- 1.85   0.001% *  0.0104% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  22.44 +/- 2.34   0.000% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  22.67 +/- 1.53   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.946, support = 4.43, residual support = 47.5:
      O   HN    ALA  124 - HA    LEU  123   2.29 +/- 0.01  77.836% * 55.0021% (0.98  10.0   4.08  12.20) =  81.214%  kept
      O   HN    LEU  123 - HA    LEU  123   2.83 +/- 0.05  22.040% * 44.9320% (0.80  10.0   5.95 200.31) =  18.786%  kept
          HN    ALA  120 - HA    LEU  123   6.73 +/- 0.20   0.124% *  0.0098% (0.18   1.0   0.02  25.10) =   0.000%
          HE21  GLN   17 - HA    LEU  123  20.56 +/- 1.72   0.000% *  0.0561% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 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  16.70 +/- 2.14 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.21 A violated in 20 structures by 13.49 A, eliminated.
    Peak unassigned.
 
    Peak 3358 (8.63, 4.60, 54.68 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.96, residual support = 22.4:
      O   HN    ILE  103 - HA    LYS+ 102   2.31 +/- 0.12  99.999% * 99.7350% (0.69  10.0   5.96  22.37) = 100.000%  kept
          HN    GLN   90 - HA    LYS+ 102  19.61 +/- 1.11   0.000% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  22.12 +/- 1.38   0.000% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.32 +/- 0.46   0.000% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  20.95 +/- 1.05   0.000% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.71 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   2.17 +/- 0.03 100.000% *100.0000% (0.73  10.0   3.16  14.33) = 100.000%  kept
    Distance limit 2.40 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 = 6.84, residual support = 77.1:
      O   HN    LEU   80 - HB2   LEU   80   3.11 +/- 0.54  99.973% * 99.7811% (1.00  10.0   6.84  77.13) = 100.000%  kept
          HN    ALA   34 - HB2   LEU   80  16.62 +/- 0.59   0.006% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   80  16.74 +/- 1.26   0.005% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   LEU   80  14.46 +/- 0.56   0.015% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.57, residual support = 77.1:
      O   HN    LEU   80 - HB3   LEU   80   3.14 +/- 0.36  99.974% * 99.7811% (1.00  10.0   6.57  77.13) = 100.000%  kept
          HN    CYS   53 - HB3   LEU   80  16.23 +/- 1.36   0.006% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   LEU   80  16.78 +/- 0.83   0.006% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   LEU   80  14.72 +/- 0.85   0.014% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.53, residual support = 77.1:
      O   HA    LEU   80 - HB3   LEU   80   2.75 +/- 0.27  96.450% * 99.6901% (0.98  10.0   4.53  77.13) =  99.997%  kept
          HA    THR   23 - HB3   LEU   80   5.24 +/- 0.35   2.318% *  0.0912% (0.90   1.0   0.02  10.46) =   0.002%
          HB    THR   23 - HB3   LEU   80   6.70 +/- 1.06   0.991% *  0.0912% (0.90   1.0   0.02  10.46) =   0.001%
          HA    ASP-  78 - HB3   LEU   80   7.98 +/- 0.57   0.240% *  0.0617% (0.61   1.0   0.02   2.40) =   0.000%
          HA    ASP- 105 - HB3   LEU   80  20.10 +/- 0.58   0.001% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.537, support = 3.57, residual support = 77.1:
      O   QD2   LEU   80 - HB3   LEU   80   2.40 +/- 0.24  76.507% * 77.3053% (0.57  10.0  1.00   3.45  77.13) =  93.176%  kept
      O   QD1   LEU   80 - HB3   LEU   80   3.02 +/- 0.37  23.438% * 18.4793% (0.14  10.0  1.00   5.20  77.13) =   6.823%  kept
        T QD1   LEU   73 - HB3   LEU   80   8.56 +/- 0.69   0.039% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HB3   LEU   80  14.92 +/- 1.32   0.001% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   63 - HB3   LEU   80  16.29 +/- 1.17   0.001% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   80  17.89 +/- 1.18   0.000% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   80  11.85 +/- 1.17   0.006% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   80  11.38 +/- 0.96   0.008% *  0.0185% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   80  18.70 +/- 1.86   0.000% *  0.0828% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3365 (4.81, 1.44, 26.98 ppm):
    20 chemical-shift based assignments, quality = 0.631, support = 4.32, residual support = 73.0:
      O   HA    LEU   80 - HG    LEU   80   3.28 +/- 0.55  49.445% * 92.4039% (0.63  10.0   4.50  77.13) =  93.815%  kept
          HA    THR   23 - HG    LEU   80   3.36 +/- 0.78  44.040% *  6.8279% (0.58   1.0   1.62  10.46) =   6.174%  kept
          HB    THR   23 - HG    LEU   80   5.00 +/- 1.02   5.804% *  0.0845% (0.58   1.0   0.02  10.46) =   0.010%
          HA    ASP-  78 - HG    LEU   80   8.04 +/- 0.77   0.426% *  0.0572% (0.39   1.0   0.02   2.40) =   0.000%
          HA    THR   23 - HG    LEU   73  10.11 +/- 1.47   0.118% *  0.0336% (0.23   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   40  10.57 +/- 0.64   0.064% *  0.0459% (0.31   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   73  12.09 +/- 1.38   0.034% *  0.0336% (0.23   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   73  13.26 +/- 1.36   0.017% *  0.0367% (0.25   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG12  ILE   19  12.79 +/- 0.19   0.020% *  0.0288% (0.20   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG12  ILE   19  14.27 +/- 0.59   0.011% *  0.0288% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  15.96 +/- 1.06   0.005% *  0.0242% (0.17   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   40  19.42 +/- 1.01   0.002% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG12  ILE   19  17.15 +/- 0.76   0.003% *  0.0314% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  17.05 +/- 1.12   0.004% *  0.0227% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   80  21.16 +/- 0.95   0.001% *  0.0610% (0.42   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   40  21.41 +/- 0.94   0.001% *  0.0695% (0.48   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   40  21.43 +/- 0.98   0.001% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  19.94 +/- 0.57   0.001% *  0.0195% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  20.32 +/- 1.82   0.001% *  0.0208% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  25.08 +/- 0.88   0.000% *  0.0430% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3367 (8.96, 1.44, 26.98 ppm):
    16 chemical-shift based assignments, quality = 0.187, support = 5.47, residual support = 159.9:
          HN    LEU   73 - HG    LEU   73   3.33 +/- 0.84  49.767% * 46.2745% (0.20   5.65 170.45) =  82.848%  kept
          HN    ILE   19 - HG12  ILE   19   3.46 +/- 0.68  34.236% *  8.7666% (0.03   6.18 172.34) =  10.797%  kept
          HN    VAL   42 - HG    LEU   40   5.30 +/- 1.02   3.522% * 36.1682% (0.37   2.33   1.35) =   4.583%  kept
          HN    VAL   42 - HG    LEU   73   4.77 +/- 1.25   8.061% *  6.0716% (0.20   0.74   1.11) =   1.761%  kept
          HN    LEU   73 - HG12  ILE   19   6.60 +/- 1.32   1.056% *  0.1405% (0.17   0.02   4.16) =   0.005%
          HN    ILE   19 - HG    LEU   73   5.13 +/- 0.59   3.076% *  0.0331% (0.04   0.02   4.16) =   0.004%
          HN    VAL   42 - HG12  ILE   19   8.80 +/- 1.78   0.168% *  0.1405% (0.17   0.02   0.02) =   0.001%
          HN    LEU   73 - HG    LEU   40   9.47 +/- 0.89   0.053% *  0.3105% (0.37   0.02   0.02) =   0.001%
          HN    LEU   73 - HG    LEU   80  11.59 +/- 0.70   0.017% *  0.4127% (0.49   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  11.59 +/- 0.55   0.015% *  0.3394% (0.41   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  14.19 +/- 0.72   0.005% *  0.4127% (0.49   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  12.44 +/- 0.64   0.010% *  0.0833% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  12.29 +/- 0.82   0.011% *  0.0627% (0.08   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  15.56 +/- 1.00   0.002% *  0.1790% (0.21   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  19.92 +/- 0.94   0.001% *  0.4511% (0.54   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  19.97 +/- 1.71   0.001% *  0.1535% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3371 (1.72, 1.72, 37.34 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  99 - HB3   LYS+  99  (1.00)  kept
 
    Peak 3372 (4.39, 1.72, 37.34 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.81, residual support = 171.9:
      O T HA    LYS+  99 - HB3   LYS+  99   2.81 +/- 0.28  95.884% * 97.7927% (0.76  10.0 10.00   5.81 171.88) =  99.996%  kept
          HA    LEU   40 - HB3   LYS+  99   5.06 +/- 0.98   4.062% *  0.0828% (0.65   1.0  1.00   0.02  13.40) =   0.004%
          HA    ASN   35 - HB3   LYS+  99  10.83 +/- 1.12   0.044% *  0.1148% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LYS+  99  15.08 +/- 1.84   0.006% *  0.1254% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HB3   LYS+  99  22.52 +/- 1.59   0.000% *  1.1812% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP- 113 - HB3   LYS+  99  21.89 +/- 0.82   0.000% *  0.5261% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LYS+  99  17.21 +/- 1.44   0.002% *  0.0574% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LYS+  99  21.81 +/- 2.09   0.001% *  0.0574% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  22.38 +/- 1.29   0.000% *  0.0623% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3373 (8.35, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 3.67, residual support = 171.9:
      O   HN    LYS+  99 - HB3   LYS+  99   2.95 +/- 0.26  98.094% * 99.4797% (0.31  10.0   3.67 171.88) =  99.998%  kept
          HE1   HIS  122 - HB3   LYS+  99   9.66 +/- 4.50   1.878% *  0.0804% (0.25   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HB3   LYS+  99  12.20 +/- 0.98   0.026% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   LYS+  99  20.20 +/- 1.79   0.001% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB3   LYS+  99  25.31 +/- 2.42   0.000% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 1.5, residual support = 17.1:
        T QD1   LEU  104 - HB3   LYS+  99   2.26 +/- 0.32  99.996% * 96.9602% (0.41 10.00   1.50  17.12) = 100.000%  kept
        T QG2   ILE   89 - HB3   LYS+  99  16.68 +/- 0.53   0.001% *  2.6337% (0.84 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LYS+  99  17.08 +/- 1.04   0.001% *  0.2735% (0.87  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LYS+  99  16.00 +/- 1.80   0.001% *  0.0624% (0.20  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LYS+  99  16.87 +/- 0.77   0.001% *  0.0702% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 2.07, residual support = 13.4:
        T QD2   LEU   40 - HB3   LYS+  99   3.26 +/- 0.89  96.424% * 99.6071% (0.76 10.00   2.07  13.40) =  99.997%  kept
          QG2   ILE  103 - HB3   LYS+  99   7.18 +/- 0.38   2.037% *  0.0791% (0.61  1.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HB3   LYS+  99   9.66 +/- 2.34   1.477% *  0.0946% (0.73  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - HB3   LYS+  99  14.14 +/- 1.82   0.053% *  0.0325% (0.25  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB3   LYS+  99  18.31 +/- 0.77   0.006% *  0.1233% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LYS+  99  20.82 +/- 1.41   0.003% *  0.0634% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 1 structures by 0.16 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.47, residual support = 171.9:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.66 +/- 0.19  99.937% * 99.4593% (0.97  10.0   5.47 171.88) = 100.000%  kept
          HG2   LYS+  38 - HB3   LYS+  99  10.59 +/- 1.39   0.041% *  0.1028% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+  99  13.74 +/- 0.94   0.006% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  99  15.00 +/- 1.27   0.004% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  13.91 +/- 1.41   0.006% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  99  17.40 +/- 0.89   0.001% *  0.0894% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  15.91 +/- 0.80   0.002% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  18.71 +/- 0.53   0.001% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  21.82 +/- 2.48   0.000% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  21.43 +/- 0.71   0.000% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 171.9:
      O T HB2   LYS+  99 - HA    LYS+  99   2.69 +/- 0.26  99.974% * 99.7492% (0.99  10.0 10.00   7.00 171.88) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  99  11.13 +/- 0.76   0.025% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  99  18.78 +/- 1.07   0.001% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    LYS+  99  24.51 +/- 0.80   0.000% *  0.0986% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3379 (1.72, 1.24, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.578, support = 5.16, residual support = 180.8:
      O T QD    LYS+  99 - HG3   LYS+  99   2.31 +/- 0.14  56.487% * 20.0954% (0.34  10.0 10.00   5.27 171.88) =  43.092%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.90 +/- 0.27  16.444% * 58.3907% (0.99  10.0  1.00   5.00 171.88) =  36.450%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.63 +/- 0.16  27.003% * 19.9563% (0.34  10.0 10.00   5.18 215.25) =  20.457%  kept
        T QD    LYS+ 106 - HG12  ILE   89   9.54 +/- 1.38   0.020% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+  38   8.92 +/- 1.03   0.025% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  99  12.92 +/- 0.65   0.002% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  19.03 +/- 1.39   0.000% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38  10.31 +/- 1.29   0.011% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  13.22 +/- 1.49   0.002% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  22.18 +/- 1.19   0.000% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG12  ILE   89  18.73 +/- 0.65   0.000% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  15.68 +/- 1.75   0.001% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  12.81 +/- 1.23   0.002% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  18.69 +/- 0.58   0.000% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  18.99 +/- 1.49   0.000% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  24.90 +/- 1.34   0.000% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  17.58 +/- 1.00   0.000% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  26.12 +/- 1.49   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3380 (1.77, 1.24, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 6.44, residual support = 171.9:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.51 +/- 0.21  99.821% * 97.9462% (0.99  10.0 10.00   6.44 171.88) =  99.999%  kept
        T HB    VAL   43 - HG12  ILE   89   8.04 +/- 0.53   0.117% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.82 +/- 0.95   0.004% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG3   LYS+  38  10.57 +/- 1.05   0.025% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.75 +/- 1.06   0.030% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  18.49 +/- 0.96   0.001% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  99  20.10 +/- 1.53   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  17.68 +/- 1.07   0.001% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  27.01 +/- 1.04   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  22.46 +/- 0.55   0.000% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  21.71 +/- 1.55   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  28.99 +/- 0.98   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.2, residual support = 115.2:
    * O   HA    GLN  116 - HG3   GLN  116   3.49 +/- 0.50  99.988% * 99.5202% (1.00  10.0   5.20 115.17) = 100.000%  kept
          HA    VAL   70 - HG3   GLN  116  20.19 +/- 2.09   0.003% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLN  116  20.32 +/- 1.97   0.003% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  20.33 +/- 2.02   0.003% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  23.40 +/- 1.74   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  28.83 +/- 2.11   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  31.87 +/- 2.00   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  31.68 +/- 1.47   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  32.75 +/- 1.83   0.000% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.76, residual support = 115.2:
      O   HB2   GLN  116 - HG3   GLN  116   2.35 +/- 0.14  99.954% * 99.6757% (0.98  10.0   5.76 115.17) = 100.000%  kept
          HB2   PRO   58 - HG3   GLN  116  10.07 +/- 2.07   0.045% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   GLN  116  16.04 +/- 1.61   0.002% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   GLN  116  26.32 +/- 1.84   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  27.01 +/- 1.67   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  30.21 +/- 1.89   0.000% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 6.79, residual support = 100.7:
          QD2   LEU  115 - HG3   GLN  116   3.68 +/- 0.41  98.081% * 98.7664% (0.97   6.79 100.69) =  99.997%  kept
          QD1   LEU   63 - HG3   GLN  116   9.06 +/- 1.34   1.219% *  0.2069% (0.69   0.02   0.02) =   0.003%
          QD2   LEU   63 - HG3   GLN  116   9.69 +/- 1.17   0.667% *  0.0465% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG3   GLN  116  15.67 +/- 1.31   0.023% *  0.2953% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG3   GLN  116  19.92 +/- 1.69   0.006% *  0.2069% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   GLN  116  22.11 +/- 1.39   0.003% *  0.2953% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   GLN  116  23.92 +/- 1.29   0.002% *  0.1827% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.49, residual support = 115.2:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.999% * 99.7025% (0.98  10.0  1.00   5.49 115.17) = 100.000%  kept
          HB3   PHE   95 - HG3   GLN  116  13.25 +/- 1.57   0.001% *  0.0962% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  34.57 +/- 1.89   0.000% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3385 (2.50, 2.50, 34.75 ppm):
    1 diagonal assignment:
    *     HG3   GLN  116 - HG3   GLN  116  (1.00)  kept
 
    Peak 3386 (7.40, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 4.05, residual support = 115.2:
      O   HE21  GLN  116 - HG3   GLN  116   3.45 +/- 0.40  94.321% * 99.6819% (0.69  10.0   4.05 115.17) =  99.997%  kept
          HN    ALA  120 - HG3   GLN  116   6.23 +/- 0.75   5.550% *  0.0448% (0.31   1.0   0.02   0.38) =   0.003%
          HN    ALA   57 - HG3   GLN  116  11.33 +/- 1.73   0.127% *  0.1109% (0.76   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG3   GLN  116  24.24 +/- 3.33   0.001% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG3   GLN  116  31.88 +/- 2.27   0.000% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.688, support = 7.32, residual support = 114.5:
          HN    GLN  116 - HG3   GLN  116   3.76 +/- 0.26  94.193% * 84.1068% (0.69   7.35 115.17) =  99.410%  kept
          HN    THR  118 - HG3   GLN  116   6.82 +/- 0.41   3.053% * 15.3150% (0.92   1.00   0.02) =   0.587%  kept
          HN    GLU- 114 - HG3   GLN  116   7.03 +/- 0.69   2.520% *  0.0830% (0.25   0.02   0.29) =   0.003%
          HN    PHE   60 - HG3   GLN  116  10.82 +/- 1.57   0.233% *  0.3331% (1.00   0.02   0.02) =   0.001%
          HN    GLU-  15 - HG3   GLN  116  25.68 +/- 2.07   0.001% *  0.1621% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.916, support = 6.59, residual support = 176.1:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.675% * 88.2996% (1.00  10.0 10.00   6.60 171.88) =  90.832%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.675% *  8.9120% (0.10  10.0 10.00   6.44 218.18) =   9.168%  kept
          QB    ALA   88 - HG12  ILE   89   4.53 +/- 0.24   0.177% *  0.0247% (0.28   1.0  1.00   0.02   7.09) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   9.13 +/- 1.24   0.003% *  0.8540% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG12  ILE   89   4.12 +/- 0.67   0.391% *  0.0063% (0.07   1.0  1.00   0.02  13.77) =   0.000%
        T HG2   LYS+  99 - HG3   LYS+  38   8.32 +/- 1.10   0.007% *  0.0921% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG12  ILE   89   5.61 +/- 0.54   0.055% *  0.0111% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   8.14 +/- 0.91   0.006% *  0.0261% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.67 +/- 0.85   0.006% *  0.0221% (0.25   1.0  1.00   0.02  16.57) =   0.000%
        T HG2   LYS+ 111 - HG12  ILE   89  15.23 +/- 1.74   0.000% *  0.3313% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  10.49 +/- 0.55   0.001% *  0.0175% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  14.04 +/- 1.10   0.000% *  0.0768% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  13.74 +/- 1.80   0.000% *  0.0302% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.63 +/- 2.49   0.000% *  0.8169% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  10.80 +/- 0.98   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  15.75 +/- 1.03   0.000% *  0.0537% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  12.13 +/- 0.97   0.001% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.34 +/- 0.88   0.000% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  15.66 +/- 0.84   0.000% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.02 +/- 1.02   0.000% *  0.0431% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  19.07 +/- 0.97   0.000% *  0.0608% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  16.56 +/- 0.85   0.000% *  0.0218% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.44 +/- 1.61   0.000% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  20.25 +/- 0.68   0.000% *  0.0358% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.65 +/- 1.14   0.000% *  0.0643% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.92 +/- 0.75   0.000% *  0.0273% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  20.15 +/- 0.89   0.000% *  0.0155% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  24.31 +/- 0.81   0.000% *  0.0346% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  21.67 +/- 0.91   0.000% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  19.27 +/- 2.01   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  23.85 +/- 0.83   0.000% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  21.67 +/- 1.16   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  22.85 +/- 1.62   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.76 +/- 0.97   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  24.47 +/- 1.32   0.000% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  23.06 +/- 0.96   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  22.81 +/- 1.13   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  31.10 +/- 2.56   0.000% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  27.66 +/- 0.96   0.000% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   2699
      with diagonal assignment               :    465
      without assignment possibility         :      4
      with one assignment possibility        :    112
      with multiple assignment possibilities :   2118
      with given assignment possibilities    :      0
      with unique volume contribution        :   1744
      with multiple volume contributions     :    486
      eliminated by violation filter         :    106
 
    Peaks:
      selected                               :   2699
      without assignment                     :    132
      with assignment                        :   2567
      with unique assignment                 :   2022
      with multiple assignment               :    545
      with reference assignment              :   1605
      with identical reference assignment    :   1265
      with compatible reference assignment   :    332
      with incompatible reference assignment :      8
      with additional reference assignment   :      0
      with additional assignment             :    962
 
    Atoms with eliminated volume contribution > 2.5:
    HA    HIS   22       3.0
    HE21  GLN   30       2.5
    QB    LYS+  33       2.8
    QD1   LEU   40       2.6
    QD2   LEU   40       4.0
    QD    PHE   45       4.0
    QG2   ILE   56       3.0
    QD    PHE   59       3.2
    QD    PHE   60       4.0
    HN    LYS+  65       6.0
    HZ    PHE   72       3.2
    HA    LEU   73       3.0
    HA    THR  118       4.0
    QD1   ILE  119       3.1
 
    Peak 2 (6.75, 6.75, 114.38 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   27 - HZ2   TRP   27  (1.00)  kept
 
    Peak 3 (7.49, 7.49, 115.54 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   49 - HZ2   TRP   49  (1.00)  kept
 
    Peak 4 (7.61, 7.61, 114.70 ppm):
    2 diagonal assignments:
    *     HZ2   TRP   87 - HZ2   TRP   87  (1.00)  kept
          HN    ILE   56 - HN    ILE   56  (0.01)  kept
 
    Peak 5 (7.18, 7.18, 125.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   49 - HH2   TRP   49  (1.00)  kept
 
    Peak 6 (7.23, 7.23, 124.80 ppm):
    1 diagonal assignment:
    *     HH2   TRP   87 - HH2   TRP   87  (1.00)  kept
 
    Peak 7 (7.71, 7.71, 120.66 ppm):
    1 diagonal assignment:
    *     HE3   TRP   87 - HE3   TRP   87  (1.00)  kept
 
    Peak 8 (6.38, 6.38, 129.17 ppm):
    1 diagonal assignment:
    *     HZ    PHE   45 - HZ    PHE   45  (1.00)  kept
 
    Peak 9 (6.69, 6.69, 132.41 ppm):
    1 diagonal assignment:
    *     QD    PHE   72 - QD    PHE   72  (1.00)  kept
 
    Peak 10 (6.68, 6.68, 130.18 ppm):
    1 diagonal assignment:
    *     QE    PHE   45 - QE    PHE   45  (1.00)  kept
 
    Peak 11 (6.71, 6.71, 127.90 ppm):
    1 diagonal assignment:
    *     HZ    PHE   72 - HZ    PHE   72  (1.00)  kept
 
    Peak 12 (6.88, 6.88, 128.47 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 13 (7.26, 7.26, 128.86 ppm):
    1 diagonal assignment:
    *     QE    PHE   59 - QE    PHE   59  (1.00)  kept
 
    Peak 14 (7.75, 7.75, 128.42 ppm):
    1 diagonal assignment:
    *     HD1   TRP   87 - HD1   TRP   87  (1.00)  kept
 
    Peak 15 (7.19, 7.19, 127.61 ppm):
    1 diagonal assignment:
    *     HD1   TRP   27 - HD1   TRP   27  (1.00)  kept
 
    Peak 16 (7.35, 7.35, 128.88 ppm):
    1 diagonal assignment:
    *     HD1   TRP   49 - HD1   TRP   49  (1.00)  kept
 
    Peak 17 (7.63, 7.63, 131.92 ppm):
    1 diagonal assignment:
    *     QE    PHE   60 - QE    PHE   60  (1.00)  kept
 
    Peak 18 (7.02, 7.02, 132.19 ppm):
    1 diagonal assignment:
    *     QD    PHE   95 - QD    PHE   95  (1.00)  kept
 
    Peak 19 (6.86, 6.86, 131.77 ppm):
    1 diagonal assignment:
    *     QD    PHE   45 - QD    PHE   45  (1.00)  kept
 
    Peak 20 (6.85, 6.85, 130.68 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 21 (6.99, 6.99, 130.46 ppm):
    1 diagonal assignment:
    *     QE    PHE   72 - QE    PHE   72  (1.00)  kept
 
    Peak 22 (8.33, 8.33, 138.33 ppm):
    1 diagonal assignment:
    *     HE1   HIS  122 - HE1   HIS  122  (1.00)  kept
 
    Peak 23 (8.58, 8.58, 136.90 ppm):
    1 diagonal assignment:
    *     HE1   HIS   22 - HE1   HIS   22  (1.00)  kept
 
    Peak 24 (6.83, 6.83, 120.22 ppm):
    1 diagonal assignment:
    *     HD2   HIS  122 - HD2   HIS  122  (1.00)  kept
 
    Peak 25 (7.11, 7.11, 121.95 ppm):
    1 diagonal assignment:
    *     HE3   TRP   49 - HE3   TRP   49  (1.00)  kept
 
    Peak 26 (7.36, 7.36, 120.68 ppm):
    1 diagonal assignment:
    *     HD2   HIS   22 - HD2   HIS   22  (1.00)  kept
 
    Peak 27 (7.12, 7.12, 119.95 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 28 (7.17, 7.17, 120.01 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 29 (7.31, 7.32, 120.14 ppm):
    1 diagonal assignment:
    *     HE3   TRP   27 - HE3   TRP   27  (0.76)  kept
 
    Peak 30 (7.13, 7.13, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   97 - QD    PHE   97  (1.00)  kept
 
    Peak 31 (7.32, 7.32, 132.31 ppm):
    1 diagonal assignment:
    *     QD    PHE   55 - QD    PHE   55  (1.00)  kept
 
    Peak 32 (7.29, 7.29, 132.36 ppm):
    1 diagonal assignment:
    *     QD    PHE   60 - QD    PHE   60  (1.00)  kept
 
    Peak 33 (7.33, 7.33, 130.29 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 34 (7.39, 7.39, 131.00 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 35 (7.38, 7.41, 131.81 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 36 (6.31, 6.31, 122.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   27 - HH2   TRP   27  (1.00)  kept
 
    Peak 37 (3.92, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.94, residual support = 71.9:
        T HA    PHE   60 - QD    PHE   60   2.72 +/- 0.33  99.807% * 98.3426% (0.87 10.00   3.94  71.95) = 100.000%  kept
        T QB    SER  117 - QD    PHE   60  12.15 +/- 0.77   0.017% *  1.0168% (0.90 10.00   0.02   0.02) =   0.000%
        T QB    SER   48 - QD    PHE   60  11.58 +/- 1.09   0.024% *  0.4255% (0.38 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    PHE   60   8.97 +/- 0.80   0.112% *  0.0552% (0.49  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   60  11.73 +/- 0.91   0.019% *  0.0733% (0.65  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   60  14.56 +/- 0.97   0.006% *  0.0642% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   60  13.01 +/- 0.92   0.014% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 70.4:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  99.665% * 99.2427% (0.69  10.0   1.00  70.42) =  99.999%  kept
          HN    TRP   87 - HZ3   TRP   87   6.55 +/- 0.42   0.328% *  0.1753% (0.61   1.0   0.02  70.42) =   0.001%
          HN    ALA   91 - HZ3   TRP   87  13.56 +/- 1.21   0.006% *  0.0892% (0.31   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HZ3   TRP   87  20.05 +/- 1.68   0.000% *  0.1636% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HZ3   TRP   87  21.18 +/- 1.27   0.000% *  0.2208% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HZ3   TRP   87  20.57 +/- 0.98   0.000% *  0.1084% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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  21.22 +/- 2.44 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 4.70 A violated in 20 structures by 16.51 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.16, residual support = 4.66:
          QB    ALA   20 - HE1   HIS   22   4.41 +/- 0.13  99.960% * 93.6770% (0.76   1.16   4.66) = 100.000%  kept
          QG2   VAL  107 - HE1   HIS   22  21.31 +/- 0.81   0.008% *  1.9956% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   31 - HE1   HIS   22  17.67 +/- 0.34   0.025% *  0.5260% (0.25   0.02   0.02) =   0.000%
          HG13  ILE  103 - HE1   HIS   22  24.68 +/- 0.63   0.003% *  1.1099% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HE1   HIS   22  31.05 +/- 1.54   0.001% *  2.1049% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HE1   HIS   22  26.03 +/- 1.95   0.003% *  0.5865% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.51 A, kept.
 
    Peak 48 (8.78, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.416, support = 4.45, residual support = 36.5:
          HN    ASN   28 - HD1   TRP   27   3.83 +/- 0.39  85.677% * 35.4018% (0.25   5.07  46.84) =  77.581%  kept
          HN    GLU-  25 - HD1   TRP   27   5.36 +/- 0.85  13.698% * 63.9625% (0.99   2.30   0.53) =  22.410%  kept
          HN    ASP-  44 - HD1   TRP   27   9.21 +/- 0.72   0.620% *  0.5492% (0.98   0.02   0.02) =   0.009%
          HN    ALA  110 - HD1   TRP   27  20.08 +/- 1.11   0.005% *  0.0865% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 49 (10.20, 7.19, 127.61 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 1.98, residual support = 101.3:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   1.98 101.26) = 100.000%  kept
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (6.35, 7.32, 120.14 ppm):
    2 chemical-shift based assignments, quality = 0.889, support = 1.56, residual support = 101.3:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  99.998% * 99.9801% (0.89  10.0   1.56 101.26) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  15.90 +/- 1.10   0.002% *  0.0199% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 3.91, residual support = 101.3:
          HA    TRP   27 - HE3   TRP   27   2.85 +/- 0.78  99.946% * 98.4462% (0.96   3.91 101.26) = 100.000%  kept
          HA    ALA   91 - HE3   TRP   27  18.52 +/- 0.81   0.009% *  0.5178% (0.98   0.02   0.02) =   0.000%
          HA    VAL  107 - HE3   TRP   27  17.18 +/- 0.56   0.009% *  0.4822% (0.91   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   67  15.47 +/- 1.05   0.015% *  0.0750% (0.14   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LEU   67  17.84 +/- 0.74   0.006% *  0.0784% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HE3   TRP   27  22.73 +/- 0.90   0.002% *  0.1961% (0.37   0.02   0.02) =   0.000%
          HA    ALA  110 - HE3   TRP   27  19.99 +/- 1.46   0.004% *  0.0806% (0.15   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  17.54 +/- 2.01   0.007% *  0.0125% (0.02   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   67  23.30 +/- 1.15   0.001% *  0.0806% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  21.33 +/- 0.90   0.002% *  0.0305% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 1 structures by 0.08 A, kept.
 
    Peak 52 (3.02, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.174, support = 4.5, residual support = 101.3:
      O   HB3   TRP   27 - HE3   TRP   27   2.89 +/- 0.23  99.899% * 98.0783% (0.17  10.0   4.50 101.26) = 100.000%  kept
          QE    LYS+  99 - HE3   TRP   27  13.79 +/- 0.84   0.009% *  0.4678% (0.83   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HE3   TRP   27  14.85 +/- 1.23   0.007% *  0.5405% (0.96   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    LEU   67  11.17 +/- 1.43   0.041% *  0.0728% (0.13   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HE3   TRP   27  15.95 +/- 0.85   0.004% *  0.5551% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HE3   TRP   27  13.15 +/- 0.64   0.012% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  12.32 +/- 1.47   0.022% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU   67  18.40 +/- 2.23   0.003% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    LEU   67  19.72 +/- 1.39   0.001% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  18.05 +/- 0.94   0.002% *  0.0153% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 53 (0.76, 7.32, 120.14 ppm):
    16 chemical-shift based assignments, quality = 0.891, support = 1.46, residual support = 7.3:
          QG1   VAL   43 - HE3   TRP   27   3.85 +/- 0.80  47.186% * 71.3793% (0.99   1.50   6.14) =  85.556%  kept
          QD2   LEU   73 - HE3   TRP   27   4.46 +/- 0.67  22.674% * 19.8461% (0.28   1.50  14.34) =  11.431%  kept
          HG    LEU   31 - HE3   TRP   27   4.33 +/- 0.68  24.793% *  4.6397% (0.41   0.24  14.11) =   2.922%  kept
          QG1   VAL   41 - HE3   TRP   27   6.41 +/- 1.04   3.234% *  0.9003% (0.94   0.02   0.02) =   0.074%
          QD1   ILE   19 - HE3   TRP   27   8.25 +/- 1.05   0.565% *  0.4633% (0.48   0.02   0.02) =   0.007%
          QG2   VAL   18 - HE3   TRP   27   9.74 +/- 0.86   0.201% *  0.8786% (0.91   0.02   0.02) =   0.004%
          QG2   THR   46 - HE3   TRP   27  10.79 +/- 0.62   0.126% *  0.7949% (0.83   0.02   0.02) =   0.003%
          QG2   VAL   18 - HN    LEU   67   7.99 +/- 0.94   0.706% *  0.1367% (0.14   0.02   0.02) =   0.002%
          QD1   ILE   19 - HN    LEU   67  10.95 +/- 1.25   0.168% *  0.0721% (0.08   0.02   0.02) =   0.000%
          QD2   LEU  104 - HE3   TRP   27  13.55 +/- 0.92   0.027% *  0.3246% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    LEU   67  12.14 +/- 0.35   0.053% *  0.1481% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    LEU   67  12.52 +/- 0.41   0.049% *  0.1401% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LEU   67  10.07 +/- 0.46   0.151% *  0.0412% (0.04   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   67  14.26 +/- 1.00   0.020% *  0.1237% (0.13   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   67  13.13 +/- 1.25   0.044% *  0.0505% (0.05   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LEU   67  18.78 +/- 1.22   0.004% *  0.0609% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.70 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 = 0.393, support = 4.65, residual support = 14.0:
          QD1   LEU   73 - HE3   TRP   27   2.30 +/- 0.68  93.284% * 48.6879% (0.37   4.79  14.34) =  94.426%  kept
          QD2   LEU   80 - HE3   TRP   27   5.55 +/- 0.91   5.440% * 49.1973% (0.76   2.37   8.95) =   5.565%  kept
          QG1   VAL   83 - HE3   TRP   27   6.94 +/- 1.31   0.863% *  0.4862% (0.89   0.02   2.34) =   0.009%
          QD1   LEU   63 - HN    LEU   67   6.35 +/- 0.50   0.314% *  0.0317% (0.06   0.02   0.02) =   0.000%
          QG2   ILE   89 - HE3   TRP   27  10.22 +/- 0.87   0.048% *  0.1507% (0.28   0.02   0.02) =   0.000%
          QD1   LEU  104 - HE3   TRP   27  12.71 +/- 1.42   0.005% *  0.5128% (0.94   0.02   0.02) =   0.000%
          QD1   LEU   63 - HE3   TRP   27  12.30 +/- 1.02   0.006% *  0.2035% (0.37   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   67  11.29 +/- 1.19   0.014% *  0.0798% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   67  10.78 +/- 1.31   0.016% *  0.0613% (0.11   0.02   0.02) =   0.000%
          QD2   LEU  115 - HE3   TRP   27  17.72 +/- 1.88   0.001% *  0.3937% (0.72   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU   67  12.04 +/- 0.33   0.007% *  0.0317% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   67  17.04 +/- 0.54   0.001% *  0.0645% (0.12   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  19.71 +/- 1.17   0.000% *  0.0757% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  16.61 +/- 0.65   0.001% *  0.0235% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 0.719, support = 0.937, residual support = 2.43:
          QG2   VAL   75 - HE3   TRP   27   4.59 +/- 0.63  89.763% * 84.0637% (0.72   0.94   2.45) =  99.370%  kept
          QG2   VAL   42 - HE3   TRP   27   8.56 +/- 0.65   2.994% * 15.4420% (0.56   0.22   0.02) =   0.609%  kept
          QG2   VAL   42 - HN    LEU   67   7.25 +/- 0.51   7.102% *  0.2166% (0.09   0.02   0.02) =   0.020%
          QG2   VAL   75 - HN    LEU   67  14.07 +/- 0.48   0.141% *  0.2778% (0.11   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 5 structures by 0.60 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.43, residual support = 34.4:
      O T HB2   HIS   22 - HD2   HIS   22   3.23 +/- 0.53  99.998% * 99.9216% (0.92  10.0 10.00   2.43  34.41) = 100.000%  kept
          HA    LEU   63 - HD2   HIS   22  21.42 +/- 0.94   0.002% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HD2   HIS   22  29.10 +/- 1.31   0.000% *  0.0214% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 57 (3.25, 7.36, 120.68 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.04, residual support = 34.4:
      O T HB3   HIS   22 - HD2   HIS   22   3.56 +/- 0.50  99.999% * 99.8217% (0.45  10.0 10.00   3.04  34.41) = 100.000%  kept
          HD3   ARG+  54 - HD2   HIS   22  26.41 +/- 2.22   0.001% *  0.1783% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 58 (2.79, 7.36, 120.68 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22  11.98 +/- 0.46  50.168% * 29.7119% (0.92   0.02   0.02) =  74.435%  kept
          HB3   ASP-  78 - HD2   HIS   22  15.71 +/- 0.80  10.316% * 19.5221% (0.61   0.02   0.02) =  10.056%  kept
          HB2   PHE   72 - HD2   HIS   22  12.87 +/- 0.82  33.750% *  4.9662% (0.15   0.02   0.02) =   8.370%  kept
          QB    CYS   50 - HD2   HIS   22  18.71 +/- 1.56   3.797% * 28.8658% (0.90   0.02   0.02) =   5.473%  kept
          HB3   ASN   69 - HD2   HIS   22  20.59 +/- 0.91   1.970% * 16.9340% (0.53   0.02   0.02) =   1.666%  kept
    Distance limit 4.74 A violated in 20 structures by 5.92 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.02, residual support = 4.66:
        T QB    ALA   20 - HD2   HIS   22   4.84 +/- 0.09  99.899% * 98.9678% (0.28 10.00   2.02   4.66) = 100.000%  kept
          QG2   VAL  107 - HD2   HIS   22  19.86 +/- 0.73   0.021% *  0.3088% (0.87  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   HIS   22  21.33 +/- 0.72   0.014% *  0.3435% (0.97  1.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HD2   HIS   22  16.70 +/- 0.81   0.062% *  0.0704% (0.20  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HD2   HIS   22  28.60 +/- 1.48   0.002% *  0.2303% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HD2   HIS   22  31.15 +/- 1.58   0.001% *  0.0792% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.47 A, kept.
 
    Peak 60 (4.74, 7.36, 120.68 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HD2   HIS   22  19.75 +/- 2.25 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.69 A violated in 20 structures by 15.07 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 2.81, residual support = 5.25:
          HA    CYS   21 - HD2   HIS   22   3.78 +/- 0.18  99.982% * 97.0559% (0.95   2.81   5.25) = 100.000%  kept
          HA    CYS   50 - HD2   HIS   22  21.73 +/- 1.78   0.003% *  0.6904% (0.95   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   HIS   22  22.83 +/- 1.17   0.002% *  0.7299% (1.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HD2   HIS   22  18.52 +/- 1.02   0.008% *  0.2029% (0.28   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD2   HIS   22  23.05 +/- 1.35   0.002% *  0.4721% (0.65   0.02   0.02) =   0.000%
          HA1   GLY  109 - HD2   HIS   22  27.31 +/- 1.04   0.001% *  0.7044% (0.97   0.02   0.02) =   0.000%
          HA    VAL  108 - HD2   HIS   22  23.71 +/- 0.75   0.002% *  0.1444% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 0.979, support = 3.21, residual support = 46.2:
          HA    ASN   28 - HD1   TRP   27   4.69 +/- 0.59  88.423% * 79.1531% (1.00   3.23  46.84) =  97.346%  kept
          HA    THR   26 - HD1   TRP   27   7.13 +/- 0.67  10.329% * 18.4526% (0.28   2.70  22.35) =   2.651%  kept
          HA    LYS+  81 - HD1   TRP   27  10.46 +/- 1.32   0.875% *  0.0973% (0.20   0.02   0.02) =   0.001%
          HA    ALA   34 - HD1   TRP   27  13.52 +/- 1.12   0.155% *  0.4537% (0.92   0.02   0.02) =   0.001%
          HA1   GLY  101 - HD1   TRP   27  15.18 +/- 3.27   0.165% *  0.3756% (0.76   0.02   0.02) =   0.001%
          HA    LEU  115 - HD1   TRP   27  21.56 +/- 0.94   0.009% *  0.4872% (0.99   0.02   0.02) =   0.000%
          HA    ARG+  54 - HD1   TRP   27  22.85 +/- 1.57   0.007% *  0.3376% (0.69   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD1   TRP   27  17.53 +/- 0.87   0.030% *  0.0665% (0.14   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD1   TRP   27  24.49 +/- 1.27   0.004% *  0.2981% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - HD1   TRP   27  29.45 +/- 1.67   0.001% *  0.2783% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.23 A, kept.
 
    Peak 63 (3.77, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.03, residual support = 26.0:
          HA    VAL   24 - HD1   TRP   27   2.45 +/- 0.76  99.964% * 99.5140% (1.00   5.03  25.95) = 100.000%  kept
          HA    LYS+  38 - HD1   TRP   27  16.76 +/- 1.09   0.027% *  0.2723% (0.69   0.02   0.02) =   0.000%
          HD2   PRO   68 - HD1   TRP   27  21.63 +/- 1.55   0.004% *  0.1352% (0.34   0.02   0.02) =   0.000%
          HA    ALA   61 - HD1   TRP   27  18.75 +/- 1.39   0.006% *  0.0785% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 1 structures by 0.05 A, kept.
 
    Peak 64 (3.58, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.65, residual support = 101.3:
      O T HB2   TRP   27 - HD1   TRP   27   2.71 +/- 0.28  99.961% * 99.7544% (0.65  10.0 10.00   3.65 101.26) = 100.000%  kept
          HA    THR   77 - HD1   TRP   27  10.16 +/- 0.93   0.038% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HD1   TRP   27  18.68 +/- 0.79   0.001% *  0.0998% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.09, residual support = 101.3:
      O T HB3   TRP   27 - HD1   TRP   27   3.64 +/- 0.13  99.948% * 99.6316% (0.73  10.0 10.00   4.09 101.26) = 100.000%  kept
          QE    LYS+ 106 - HD1   TRP   27  15.21 +/- 1.84   0.026% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HD1   TRP   27  15.89 +/- 1.02   0.016% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HD1   TRP   27  17.18 +/- 1.24   0.010% *  0.1267% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 66 (1.08, 7.19, 127.61 ppm):
    6 chemical-shift based assignments, quality = 0.757, support = 3.1, residual support = 26.0:
        T QG2   VAL   24 - HD1   TRP   27   2.46 +/- 1.14  75.223% * 94.2349% (0.76 10.00   3.11  25.95) =  98.338%  kept
          QG1   VAL   24 - HD1   TRP   27   3.57 +/- 1.04  24.767% *  4.8377% (0.31  1.00   2.54  25.95) =   1.662%  kept
        T QG1   VAL  107 - HD1   TRP   27  16.27 +/- 0.81   0.007% *  0.7977% (0.65 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HD1   TRP   27  19.22 +/- 1.31   0.003% *  0.0748% (0.61  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HD1   TRP   27  27.69 +/- 1.84   0.000% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD1   TRP   27  27.21 +/- 1.60   0.000% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.03 A, kept.
 
    Peak 67 (0.60, 7.19, 127.61 ppm):
    7 chemical-shift based assignments, quality = 0.813, support = 2.88, residual support = 6.07:
          QG1   VAL   83 - HD1   TRP   27   3.58 +/- 1.68  53.291% * 32.4966% (0.80   2.56   2.34) =  48.248%  kept
          QD2   LEU   80 - HD1   TRP   27   3.65 +/- 0.97  37.512% * 44.0473% (0.87   3.21   8.95) =  46.034%  kept
          QD1   LEU   73 - HD1   TRP   27   5.67 +/- 0.96   9.056% * 22.6605% (0.49   2.94  14.34) =   5.717%  kept
          QG2   ILE   89 - HD1   TRP   27   9.52 +/- 0.74   0.123% *  0.0627% (0.20   0.02   0.02) =   0.000%
          QD1   LEU  104 - HD1   TRP   27  15.34 +/- 1.40   0.009% *  0.3140% (0.99   0.02   0.02) =   0.000%
          QD1   LEU   63 - HD1   TRP   27  14.81 +/- 1.04   0.008% *  0.1542% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HD1   TRP   27  19.65 +/- 1.86   0.002% *  0.2647% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 0.936, support = 0.922, residual support = 5.07:
          QG2   VAL   83 - HD1   TRP   27   3.79 +/- 1.24  82.316% * 40.4823% (1.00   0.75   2.34) =  76.818%  kept
          QD2   LEU   31 - HD1   TRP   27   5.28 +/- 1.00  17.167% * 58.5495% (0.73   1.49  14.11) =  23.170%  kept
          QD1   ILE   89 - HD1   TRP   27   8.76 +/- 0.82   0.518% *  0.9682% (0.90   0.02   0.02) =   0.012%
    Distance limit 4.26 A violated in 0 structures by 0.04 A, kept.
 
    Peak 69 (6.73, 6.31, 122.21 ppm):
    2 chemical-shift based assignments, quality = 0.278, support = 1.22, residual support = 101.3:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  99.995% * 99.7536% (0.28  10.0 10.00   1.22 101.26) = 100.000%  kept
          HZ    PHE   72 - HH2   TRP   27  13.71 +/- 1.30   0.005% *  0.2464% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 1.98, residual support = 101.3:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   1.98 101.26) = 100.000%  kept
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (7.32, 6.35, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 1.56, residual support = 101.3:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  99.956% * 99.6541% (1.00  10.0   1.56 101.26) = 100.000%  kept
          HN    THR   23 - HZ3   TRP   27  10.49 +/- 0.70   0.021% *  0.0775% (0.61   1.0   0.02   1.11) =   0.000%
          QE    PHE   95 - HZ3   TRP   27  10.88 +/- 1.00   0.018% *  0.0827% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  14.38 +/- 1.48   0.004% *  0.0285% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HZ3   TRP   27  15.90 +/- 1.10   0.002% *  0.0319% (0.25   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HZ3   TRP   27  21.16 +/- 1.05   0.000% *  0.1253% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 0.921, support = 1.41, residual support = 6.19:
        T QG1   VAL   43 - HH2   TRP   27   2.40 +/- 0.49  86.874% * 93.5850% (0.92 10.00   1.41   6.14) =  99.296%  kept
          HG    LEU   31 - HH2   TRP   27   4.52 +/- 1.36   9.675% *  5.9081% (0.65  1.00   1.27  14.11) =   0.698%  kept
          QG1   VAL   41 - HH2   TRP   27   5.09 +/- 1.30   2.910% *  0.1437% (1.00  1.00   0.02   0.02) =   0.005%
          QD2   LEU   73 - HH2   TRP   27   6.34 +/- 0.95   0.490% *  0.0701% (0.49  1.00   0.02  14.34) =   0.000%
          QG2   VAL   18 - HH2   TRP   27  11.51 +/- 0.93   0.011% *  0.1046% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HH2   TRP   27  10.89 +/- 1.14   0.016% *  0.0400% (0.28  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HH2   TRP   27  12.23 +/- 1.00   0.007% *  0.0873% (0.61  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HH2   TRP   27  10.86 +/- 1.13   0.015% *  0.0252% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HH2   TRP   27  16.09 +/- 1.22   0.002% *  0.0359% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.92, support = 1.5, residual support = 6.18:
        T QG1   VAL   43 - HZ3   TRP   27   2.55 +/- 0.73  81.160% * 91.7431% (0.92 10.00   1.50   6.14) =  99.182%  kept
          HG    LEU   31 - HZ3   TRP   27   4.20 +/- 1.19   9.090% *  5.4362% (0.65  1.00   1.27  14.11) =   0.658%  kept
          QD2   LEU   73 - HZ3   TRP   27   4.74 +/- 0.95   4.685% *  2.4188% (0.49  1.00   0.75  14.34) =   0.151%
          QG1   VAL   41 - HZ3   TRP   27   4.94 +/- 1.39   4.833% *  0.1322% (1.00  1.00   0.02   0.02) =   0.009%
          QD1   ILE   19 - HZ3   TRP   27   9.08 +/- 1.37   0.126% *  0.0368% (0.28  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HZ3   TRP   27  10.19 +/- 0.88   0.044% *  0.0962% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HZ3   TRP   27  11.57 +/- 0.72   0.042% *  0.0804% (0.61  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HZ3   TRP   27  11.66 +/- 1.01   0.015% *  0.0232% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HZ3   TRP   27  16.03 +/- 0.86   0.004% *  0.0330% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 0.893, support = 2.03, residual support = 14.3:
        T QD1   LEU   73 - HZ3   TRP   27   2.87 +/- 1.00  60.275% * 94.1579% (0.90 10.00   2.04  14.34) =  99.566%  kept
          QD2   LEU   80 - HZ3   TRP   27   7.03 +/- 1.20   5.449% *  4.3678% (0.53  1.00   1.58   8.95) =   0.418%
          QG2   VAL   41 - HZ3   TRP   27   3.87 +/- 1.56  26.662% *  0.0292% (0.28  1.00   0.02   0.02) =   0.014%
          QD2   LEU   98 - HZ3   TRP   27   4.79 +/- 1.03   7.125% *  0.0162% (0.15  1.00   0.02   0.02) =   0.002%
        T QD1   LEU   63 - HZ3   TRP   27  11.47 +/- 1.10   0.019% *  0.9416% (0.90 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HZ3   TRP   27  10.88 +/- 1.54   0.029% *  0.3240% (0.31 10.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HZ3   TRP   27   9.06 +/- 1.16   0.423% *  0.0162% (0.15  1.00   0.02   8.95) =   0.000%
          QD2   LEU   63 - HZ3   TRP   27  11.72 +/- 1.18   0.014% *  0.0877% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HZ3   TRP   27  16.86 +/- 1.97   0.003% *  0.0594% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 1 structures by 0.08 A, kept.
 
    Peak 75 (0.08, 6.35, 121.95 ppm):
    3 chemical-shift based assignments, quality = 0.763, support = 1.73, residual support = 14.1:
        T QD2   LEU   31 - HZ3   TRP   27   2.53 +/- 1.27  91.535% * 98.2593% (0.76 10.00   1.73  14.11) =  99.864%  kept
          QG2   VAL   83 - HZ3   TRP   27   6.73 +/- 1.31   7.548% *  1.6117% (1.00  1.00   0.22   2.34) =   0.135%
          QD1   ILE   89 - HZ3   TRP   27   8.68 +/- 1.13   0.917% *  0.1290% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 2 structures by 0.20 A, kept.
 
    Peak 76 (0.08, 6.31, 122.21 ppm):
    3 chemical-shift based assignments, quality = 0.768, support = 1.71, residual support = 13.9:
          QD2   LEU   31 - HH2   TRP   27   3.26 +/- 1.15  88.152% * 85.0025% (0.76   1.74  14.11) =  98.198%  kept
          QG2   VAL   83 - HH2   TRP   27   6.20 +/- 1.23   9.735% * 13.8857% (1.00   0.22   2.34) =   1.772%  kept
          QD1   ILE   89 - HH2   TRP   27   7.93 +/- 1.03   2.112% *  1.1118% (0.87   0.02   0.02) =   0.031%
    Distance limit 4.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 77 (0.58, 6.31, 122.21 ppm):
    8 chemical-shift based assignments, quality = 0.966, support = 1.99, residual support = 13.7:
          QD1   LEU   73 - HH2   TRP   27   4.61 +/- 0.83  23.317% * 62.9306% (1.00   2.08  14.34) =  89.191%  kept
          QD2   LEU   80 - HH2   TRP   27   7.55 +/- 1.08   4.958% * 33.1233% (0.76   1.43   8.95) =   9.983%  kept
          QG1   VAL   83 - HH2   TRP   27   7.49 +/- 1.36   3.778% *  2.0835% (0.15   0.44   2.34) =   0.479%
          QG2   VAL   41 - HH2   TRP   27   3.80 +/- 1.45  67.565% *  0.0822% (0.14   0.02   0.02) =   0.338%
          QD1   LEU  104 - HH2   TRP   27  10.35 +/- 1.47   0.198% *  0.3196% (0.53   0.02   0.02) =   0.004%
          QD1   LEU   63 - HH2   TRP   27  11.82 +/- 1.17   0.097% *  0.6060% (1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HH2   TRP   27  12.14 +/- 1.08   0.073% *  0.3684% (0.61   0.02   0.02) =   0.002%
          QD2   LEU  115 - HH2   TRP   27  16.87 +/- 2.08   0.013% *  0.4863% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 1 structures by 0.15 A, kept.
 
    Peak 78 (6.31, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.22, residual support = 101.3:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.22 101.26) = 100.000%  kept
    Distance limit 3.58 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 = 0.943, support = 1.34, residual support = 19.4:
          HZ2   TRP   87 - HZ2   TRP   27   3.62 +/- 2.52  85.876% * 24.7481% (0.98   0.75   6.00) =  67.173%  kept
          HD21  ASN   28 - HZ2   TRP   27   5.56 +/- 1.07  13.939% * 74.5036% (0.87   2.55  46.84) =  32.824%  kept
          QE    PHE   60 - HZ2   TRP   27  12.89 +/- 1.49   0.164% *  0.4625% (0.69   0.02   0.02) =   0.002%
          HN    LEU   63 - HZ2   TRP   27  18.37 +/- 1.20   0.016% *  0.1679% (0.25   0.02   0.02) =   0.000%
          HN    ILE   56 - HZ2   TRP   27  21.19 +/- 1.47   0.006% *  0.1179% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.06 A, kept.
 
    Peak 80 (10.20, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 1.37, residual support = 101.3:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.37 101.26) = 100.000%  kept
    Distance limit 4.50 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 = 2.0, residual support = 6.0:
          HE1   TRP   87 - HZ2   TRP   27   5.47 +/- 1.65 100.000% *100.0000% (0.92   2.00   6.00) = 100.000%  kept
    Distance limit 4.43 A violated in 9 structures by 1.15 A, kept.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.669, support = 2.46, residual support = 10.6:
        T QD2   LEU   31 - HZ2   TRP   27   4.10 +/- 0.95  46.298% * 59.1391% (0.49 10.00   3.83  14.11) =  55.512%  kept
        T QG2   VAL   43 - HZ2   TRP   27   3.86 +/- 0.75  53.702% * 40.8609% (0.90 10.00   0.75   6.14) =  44.488%  kept
    Distance limit 3.98 A violated in 0 structures by 0.04 A, kept.
 
    Peak 83 (0.08, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.898, support = 2.67, residual support = 12.1:
        T QD1   ILE   89 - QD    PHE   45   2.72 +/- 0.39  89.845% * 89.5956% (0.90 10.00   2.68  12.19) =  98.727%  kept
          QG2   VAL   83 - QD    PHE   45   4.35 +/- 0.52  10.041% * 10.3319% (1.00  1.00   2.07   1.46) =   1.272%  kept
          QD2   LEU   31 - QD    PHE   45   8.47 +/- 0.49   0.113% *  0.0725% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.09, 6.68, 130.18 ppm):
    3 chemical-shift based assignments, quality = 0.972, support = 2.53, residual support = 7.22:
          QD1   ILE   89 - QE    PHE   45   2.95 +/- 0.37  38.148% * 65.0010% (0.97   3.24  12.19) =  53.695%  kept
          QG2   VAL   83 - QE    PHE   45   2.71 +/- 0.54  61.540% * 34.7470% (0.98   1.71   1.46) =  46.303%  kept
          QD2   LEU   31 - QE    PHE   45   7.03 +/- 0.61   0.312% *  0.2520% (0.61   0.02   0.02) =   0.002%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 85 (0.44, 6.86, 131.77 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 2.96, residual support = 18.0:
        T QG1   VAL   75 - QD    PHE   45   2.21 +/- 0.36  99.980% * 99.9034% (1.00 10.00   2.96  17.96) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   45  11.22 +/- 1.57   0.020% *  0.0966% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 18.0:
        T HB    VAL   75 - QD    PHE   45   3.46 +/- 0.74  97.646% * 99.7392% (0.99 10.00   2.00  17.96) =  99.999%  kept
          HG3   LYS+  74 - QD    PHE   45   8.13 +/- 0.44   1.124% *  0.0378% (0.38  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    PHE   45   9.54 +/- 0.54   0.451% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD    PHE   45  10.76 +/- 0.73   0.272% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    PHE   45  11.43 +/- 1.39   0.175% *  0.0610% (0.61  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD    PHE   45  10.73 +/- 1.26   0.262% *  0.0343% (0.34  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QD    PHE   45  13.05 +/- 0.55   0.071% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 1 structures by 0.10 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.626, support = 2.35, residual support = 8.91:
        T QG2   THR   77 - QD    PHE   45   3.15 +/- 0.51  78.980% * 76.1631% (0.65 10.00   2.25   8.41) =  95.417%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.45 +/- 0.07  12.383% * 23.2995% (0.20 10.00   4.41  19.23) =   4.577%  kept
          HB3   LEU   80 - QD    PHE   45   5.28 +/- 0.89   7.863% *  0.0442% (0.38  1.00   0.02   0.02) =   0.006%
          QB    ALA   88 - QD    PHE   45   7.52 +/- 0.37   0.656% *  0.1136% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    PHE   45  10.72 +/- 0.81   0.070% *  0.0327% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    PHE   45  12.75 +/- 0.63   0.025% *  0.0619% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD    PHE   45  13.83 +/- 1.25   0.017% *  0.0714% (0.61  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    PHE   45  16.27 +/- 0.62   0.006% *  0.1021% (0.87  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    PHE   45  19.94 +/- 0.50   0.002% *  0.1114% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 88 (1.20, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.75, support = 0.75, residual support = 25.6:
          QG2   THR   94 - QD    PHE   45   3.48 +/- 0.50  77.113% * 67.1270% (0.80   0.75  27.13) =  89.782%  kept
          HG12  ILE   89 - QD    PHE   45   4.43 +/- 0.53  22.759% * 25.8744% (0.31   0.75  12.19) =  10.214%  kept
          HB3   LEU   71 - QD    PHE   45  12.02 +/- 1.04   0.084% *  2.2157% (0.99   0.02   0.02) =   0.003%
          HG3   LYS+ 111 - QD    PHE   45  13.73 +/- 1.03   0.027% *  0.8390% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    PHE   45  16.95 +/- 1.34   0.007% *  2.2355% (1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD    PHE   45  16.57 +/- 0.95   0.009% *  1.7084% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 18.0:
        T QG1   VAL   75 - QE    PHE   45   2.69 +/- 0.32  99.971% * 99.9191% (0.90 10.00   2.31  17.96) = 100.000%  kept
          QD1   LEU  115 - QE    PHE   45  12.53 +/- 1.59   0.029% *  0.0809% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 0.582, support = 0.635, residual support = 10.9:
          HB    ILE   89 - QE    PHE   45   4.31 +/- 0.54  12.638% * 94.1356% (0.61   0.71  12.19) =  89.234%  kept
          HB    VAL   43 - QE    PHE   45   2.64 +/- 0.82  87.217% *  1.6438% (0.38   0.02   0.02) =  10.753%  kept
          QD    LYS+  81 - QE    PHE   45   9.71 +/- 0.83   0.101% *  1.3519% (0.31   0.02   0.02) =   0.010%
          QG1   ILE   56 - QE    PHE   45  11.10 +/- 1.13   0.029% *  0.6758% (0.15   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QE    PHE   45  13.63 +/- 0.88   0.008% *  1.2178% (0.28   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QE    PHE   45  13.89 +/- 0.72   0.008% *  0.9751% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 91 (1.95, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 2.0, residual support = 9.65:
          HB3   MET   96 - QE    PHE   45   3.38 +/- 0.92  99.611% * 93.6218% (0.45   2.00   9.65) =  99.994%  kept
          HB    VAL   18 - QE    PHE   45  11.94 +/- 0.82   0.208% *  1.4344% (0.69   0.02   0.02) =   0.003%
          HB2   LEU   40 - QE    PHE   45  13.65 +/- 0.48   0.085% *  1.7443% (0.84   0.02   0.02) =   0.002%
          HB2   LEU   67 - QE    PHE   45  14.02 +/- 1.14   0.062% *  0.8585% (0.41   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QE    PHE   45  16.69 +/- 0.96   0.020% *  1.9277% (0.92   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QE    PHE   45  18.10 +/- 0.98   0.015% *  0.4133% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 1 structures by 0.11 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.222, support = 1.95, residual support = 9.61:
        T HB2   MET   96 - QE    PHE   45   4.13 +/- 0.95  90.231% * 87.5887% (0.22 10.00   1.96   9.65) =  99.642%  kept
          HB3   ASP-  76 - QE    PHE   45   9.06 +/- 0.53   2.084% *  8.3554% (0.73  1.00   0.57   0.02) =   0.220%
          QG    GLN   90 - QE    PHE   45   7.03 +/- 1.09   5.976% *  1.7068% (0.22  1.00   0.38   0.02) =   0.129%
        T HB3   PHE   72 - QE    PHE   45  10.39 +/- 0.80   0.626% *  0.7039% (0.18 10.00   0.02   0.02) =   0.006%
          HG3   MET   92 - QE    PHE   45  12.00 +/- 0.87   0.345% *  0.3879% (0.97  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  29 - QE    PHE   45  13.02 +/- 0.86   0.289% *  0.3605% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QE    PHE   45  11.34 +/- 0.80   0.268% *  0.3710% (0.92  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - QE    PHE   45  13.40 +/- 1.37   0.104% *  0.2115% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   45  16.29 +/- 0.83   0.045% *  0.2600% (0.65  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   45  16.66 +/- 1.26   0.033% *  0.0544% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 2 structures by 0.20 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 80.4:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  98.122% * 99.8696% (0.53  10.0 10.00   1.00  80.40) =  99.998%  kept
          HZ3   TRP   27 - QE    PHE   45   6.37 +/- 1.28   1.878% *  0.1304% (0.69   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (6.84, 6.68, 130.18 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.52, residual support = 80.4:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  99.997% * 99.6976% (0.65  10.0   3.52  80.40) = 100.000%  kept
          HD2   HIS  122 - QE    PHE   45  13.72 +/- 1.06   0.002% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - QE    PHE   45  19.26 +/- 1.42   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  17.80 +/- 1.37   0.000% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 95 (1.94, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 2.0, residual support = 9.65:
          HB3   MET   96 - QD    PHE   45   4.75 +/- 0.51  98.647% * 96.5080% (0.80   2.00   9.65) =  99.993%  kept
          HB    VAL   18 - QD    PHE   45  10.98 +/- 0.78   0.793% *  0.4111% (0.34   0.02   0.02) =   0.003%
          HB2   LEU   40 - QD    PHE   45  14.68 +/- 0.36   0.147% *  1.2053% (1.00   0.02   0.02) =   0.002%
          HB3   ARG+  54 - QD    PHE   45  14.54 +/- 0.98   0.142% *  0.7310% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   67 - QD    PHE   45  13.76 +/- 1.12   0.229% *  0.1860% (0.15   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD    PHE   45  18.25 +/- 1.00   0.038% *  0.5867% (0.49   0.02   0.02) =   0.000%
          HG3   MET   11 - QD    PHE   45  27.30 +/- 1.64   0.004% *  0.3720% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 1 structures by 0.23 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.872, support = 1.92, residual support = 8.85:
          HB2   MET   96 - QD    PHE   45   5.72 +/- 0.61  79.650% * 63.6567% (0.87   2.00   9.65) =  91.712%  kept
          HB3   ASP-  76 - QD    PHE   45   7.83 +/- 0.46  13.468% * 33.8605% (0.92   1.00   0.02) =   8.249%  kept
          HG3   MET   92 - QD    PHE   45  10.16 +/- 0.92   3.386% *  0.2503% (0.34   0.02   0.02) =   0.015%
          HB2   ASP- 105 - QD    PHE   45  11.43 +/- 0.53   1.340% *  0.5329% (0.73   0.02   0.02) =   0.013%
          HB    VAL   70 - QD    PHE   45  13.58 +/- 1.05   0.578% *  0.3290% (0.45   0.02   0.02) =   0.003%
          HB2   GLU-  25 - QD    PHE   45  13.14 +/- 0.78   0.673% *  0.2040% (0.28   0.02   0.02) =   0.002%
          QG    GLN   17 - QD    PHE   45  14.03 +/- 0.72   0.410% *  0.2754% (0.38   0.02   0.02) =   0.002%
          HB2   GLU-  29 - QD    PHE   45  14.35 +/- 0.68   0.398% *  0.1830% (0.25   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QD    PHE   45  17.84 +/- 0.83   0.097% *  0.7082% (0.97   0.02   0.02) =   0.001%
    Distance limit 4.93 A violated in 4 structures by 0.63 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.94, residual support = 80.4:
      O T HB3   PHE   45 - QD    PHE   45   2.30 +/- 0.09  99.883% * 99.5701% (0.80  10.0 10.00   4.94  80.40) = 100.000%  kept
          HB3   ASP-  86 - QD    PHE   45   8.05 +/- 0.49   0.060% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QD    PHE   45   8.26 +/- 0.74   0.052% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QD    PHE   45  14.56 +/- 1.54   0.002% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QD    PHE   45  15.57 +/- 0.89   0.001% *  0.1200% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QD    PHE   45  14.06 +/- 0.69   0.002% *  0.0557% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.23, residual support = 80.4:
      O T HB2   PHE   45 - QD    PHE   45   2.65 +/- 0.04  99.920% * 99.8423% (0.97  10.0 10.00   4.23  80.40) = 100.000%  kept
          HB2   CYS   21 - QD    PHE   45   8.95 +/- 0.55   0.074% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - QD    PHE   45  13.76 +/- 0.83   0.006% *  0.1032% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (3.95, 6.86, 131.77 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 27.1:
          HB    THR   94 - QD    PHE   45   3.27 +/- 0.47  98.520% * 93.8952% (0.69   2.96  27.13) =  99.991%  kept
          QB    SER   85 - QD    PHE   45   8.18 +/- 0.33   0.569% *  0.8745% (0.95   0.02   0.02) =   0.005%
          QB    SER   48 - QD    PHE   45   9.69 +/- 0.59   0.204% *  0.7403% (0.80   0.02   0.02) =   0.002%
          HA    ALA   88 - QD    PHE   45   8.14 +/- 0.31   0.558% *  0.1426% (0.15   0.02   0.02) =   0.001%
          HD2   PRO   52 - QD    PHE   45  11.17 +/- 0.64   0.074% *  0.2853% (0.31   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD    PHE   45  15.92 +/- 0.61   0.011% *  0.8291% (0.90   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   45  14.27 +/- 0.45   0.018% *  0.4864% (0.53   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    PHE   45  17.21 +/- 0.72   0.006% *  0.8745% (0.95   0.02   0.02) =   0.000%
          QB    SER  117 - QD    PHE   45  14.03 +/- 0.93   0.020% *  0.2570% (0.28   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   45  17.72 +/- 0.61   0.005% *  0.8922% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   45  17.41 +/- 0.76   0.006% *  0.5607% (0.61   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    PHE   45  16.29 +/- 0.60   0.010% *  0.1619% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 0.341, support = 4.35, residual support = 19.2:
          HA    ASP-  44 - QD    PHE   45   2.66 +/- 0.43  96.420% * 93.6135% (0.34   4.35  19.23) =  99.986%  kept
          HB    THR   77 - QD    PHE   45   5.61 +/- 0.67   2.825% *  0.3508% (0.28   0.02   8.41) =   0.011%
          HA    ASP-  86 - QD    PHE   45   9.15 +/- 0.23   0.091% *  1.2367% (0.98   0.02   0.02) =   0.001%
          HA    TRP   87 - QD    PHE   45   7.59 +/- 0.52   0.426% *  0.1947% (0.15   0.02   0.02) =   0.001%
          HA    SER   85 - QD    PHE   45   7.96 +/- 0.40   0.206% *  0.3508% (0.28   0.02   0.02) =   0.001%
          HA    LEU  104 - QD    PHE   45  14.26 +/- 0.46   0.007% *  1.0538% (0.84   0.02   0.02) =   0.000%
          HA    ILE  103 - QD    PHE   45  11.61 +/- 0.53   0.023% *  0.2497% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   45  19.10 +/- 0.96   0.001% *  1.2589% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   45  24.46 +/- 1.42   0.000% *  1.2176% (0.97   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   45  26.66 +/- 1.67   0.000% *  0.4735% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.81 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 = 4.94, residual support = 80.4:
          HA    PHE   45 - QD    PHE   45   3.12 +/- 0.34  99.285% * 96.7761% (0.25   4.94  80.40) =  99.996%  kept
          HA    MET   92 - QD    PHE   45   8.22 +/- 1.28   0.650% *  0.3921% (0.25   0.02   0.02) =   0.003%
          HA    VAL   41 - QD    PHE   45  10.94 +/- 0.25   0.060% *  1.2592% (0.80   0.02   0.02) =   0.001%
          HA    HIS  122 - QD    PHE   45  16.83 +/- 0.78   0.005% *  1.5726% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 102 (8.76, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.57, residual support = 77.6:
          HN    PHE   45 - QD    PHE   45   2.02 +/- 0.42  94.186% * 56.0983% (0.45   5.62  80.40) =  95.459%  kept
          HN    ASP-  44 - QD    PHE   45   4.07 +/- 0.38   5.795% * 43.3794% (0.45   4.35  19.23) =   4.541%  kept
          HN    ALA  110 - QD    PHE   45   9.95 +/- 1.13   0.013% *  0.3057% (0.69   0.02   0.02) =   0.000%
          HN    GLU-  25 - QD    PHE   45  10.93 +/- 0.88   0.006% *  0.2166% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (6.68, 6.38, 129.17 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 80.4:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  99.994% * 99.7606% (0.98  10.0   1.00  80.40) = 100.000%  kept
          QD    PHE   72 - HZ    PHE   45  11.39 +/- 0.93   0.006% *  0.1766% (0.87   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HZ    PHE   45  19.40 +/- 1.66   0.000% *  0.0628% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.718, support = 3.87, residual support = 34.3:
          HN    CYS   50 - HD1   TRP   49   2.59 +/- 1.35  41.107% * 64.9633% (0.98   3.30   3.41) =  56.584%  kept
          HN    TRP   49 - HD1   TRP   49   2.36 +/- 1.11  58.890% * 34.7931% (0.38   4.62  74.54) =  43.416%  kept
          HN    VAL   83 - HD1   TRP   49  16.12 +/- 1.50   0.002% *  0.2437% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.06 A, kept.
 
    Peak 105 (11.09, 7.35, 128.88 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 2.08, residual support = 74.5:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.08  74.54) = 100.000%  kept
    Distance limit 3.54 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 = 74.5:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  99.999% * 99.8040% (0.41  10.0   1.00  74.54) = 100.000%  kept
          QD    PHE   97 - HZ2   TRP   49  17.62 +/- 1.56   0.001% *  0.0749% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HZ2   TRP   49  24.25 +/- 1.94   0.000% *  0.1211% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (11.08, 7.49, 115.54 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.0, residual support = 74.5:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  74.54) = 100.000%  kept
    Distance limit 4.40 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 = 74.5:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00 100.000% * 99.8708% (1.00  10.0   1.00  74.54) = 100.000%  kept
          HN    LYS+ 121 - HH2   TRP   49  23.86 +/- 2.87   0.000% *  0.1292% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 110 (0.08, 6.38, 129.17 ppm):
    3 chemical-shift based assignments, quality = 0.89, support = 1.36, residual support = 8.43:
          QD1   ILE   89 - HZ    PHE   45   3.50 +/- 0.69  48.690% * 65.0388% (0.84   1.69  12.19) =  64.899%  kept
          QG2   VAL   83 - HZ    PHE   45   3.49 +/- 0.83  50.018% * 34.2239% (0.99   0.75   1.46) =  35.082%  kept
          QD2   LEU   31 - HZ    PHE   45   7.23 +/- 0.70   1.292% *  0.7373% (0.80   0.02   0.02) =   0.020%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.84, residual support = 74.5:
      O T HB2   TRP   49 - HD1   TRP   49   3.62 +/- 0.48  99.728% * 99.5547% (0.65  10.0 10.00   3.84  74.54) = 100.000%  kept
          HA    VAL   75 - HD1   TRP   49  13.20 +/- 1.47   0.066% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HD1   TRP   49  13.37 +/- 1.49   0.062% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD1   TRP   49  13.04 +/- 2.06   0.095% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HD1   TRP   49  13.73 +/- 1.27   0.042% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HD1   TRP   49  21.62 +/- 1.59   0.003% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HD1   TRP   49  22.03 +/- 1.93   0.003% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 3.84, residual support = 74.5:
      O T HB3   TRP   49 - HD1   TRP   49   3.38 +/- 0.19  99.987% * 99.9191% (0.90  10.0 10.00   3.84  74.54) = 100.000%  kept
          HB3   PHE   59 - HD1   TRP   49  15.78 +/- 1.28   0.013% *  0.0809% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.76, residual support = 16.0:
          QB    ALA   47 - HD1   TRP   49   2.41 +/- 1.15  99.929% * 99.0226% (0.84   3.76  15.99) = 100.000%  kept
          QB    ALA   64 - HD1   TRP   49  15.89 +/- 1.60   0.041% *  0.2827% (0.45   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD1   TRP   49  15.71 +/- 1.31   0.018% *  0.4580% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HD1   TRP   49  17.19 +/- 1.76   0.011% *  0.2367% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.05 A, kept.
 
    Peak 118 (1.84, 7.49, 115.54 ppm):
    13 chemical-shift based assignments, quality = 0.866, support = 0.749, residual support = 3.49:
          HB3   PRO   52 - HZ2   TRP   49   4.43 +/- 0.78  93.037% * 69.1350% (0.87  1.00   0.75   3.49) =  99.891%  kept
          HB3   GLN   90 - HZ2   TRP   49   9.35 +/- 1.95   5.874% *  0.9529% (0.45  1.00   0.02   0.02) =   0.087%
          HG2   ARG+  54 - HZ2   TRP   49  10.13 +/- 0.91   0.677% *  1.4599% (0.69  1.00   0.02   0.02) =   0.015%
          QB    LYS+  81 - HZ2   TRP   49  12.99 +/- 1.32   0.195% *  0.7977% (0.38  1.00   0.02   0.02) =   0.002%
        T HG    LEU  123 - HZ2   TRP   49  25.21 +/- 1.90   0.006% * 18.4360% (0.87 10.00   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HZ2   TRP   49  15.05 +/- 1.29   0.113% *  0.7250% (0.34  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HZ2   TRP   49  21.27 +/- 2.38   0.051% *  0.5909% (0.28  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   49  21.32 +/- 1.72   0.016% *  1.3749% (0.65  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HZ2   TRP   49  22.28 +/- 1.62   0.010% *  1.2891% (0.61  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   49  23.31 +/- 1.55   0.006% *  1.5433% (0.73  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HZ2   TRP   49  24.10 +/- 1.88   0.008% *  0.9529% (0.45  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   49  28.53 +/- 2.74   0.004% *  1.6243% (0.76  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   49  26.93 +/- 1.63   0.003% *  1.1182% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 2 structures by 0.26 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 2.03, residual support = 16.0:
          QB    ALA   47 - HZ2   TRP   49   4.36 +/- 0.24  99.527% * 98.0051% (0.69   2.03  15.99) =  99.996%  kept
          QB    ALA   64 - HZ2   TRP   49  17.02 +/- 2.11   0.233% *  0.8509% (0.61   0.02   0.02) =   0.002%
          QG1   VAL   42 - HZ2   TRP   49  16.10 +/- 1.63   0.157% *  0.7942% (0.57   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HZ2   TRP   49  14.95 +/- 1.86   0.084% *  0.3498% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.11 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.347, support = 0.742, residual support = 3.45:
          HG2   PRO   52 - HH2   TRP   49   4.27 +/- 0.66  86.236% * 73.0242% (0.34   0.75   3.49) =  98.941%  kept
          HG2   MET   92 - HH2   TRP   49   6.43 +/- 0.66  13.366% *  4.9520% (0.87   0.02   0.02) =   1.040%  kept
          QG    GLU- 114 - HH2   TRP   49  14.47 +/- 2.19   0.203% *  4.5712% (0.80   0.02   0.02) =   0.015%
          HB2   ASP-  44 - HH2   TRP   49  16.72 +/- 2.59   0.161% *  0.9998% (0.18   0.02   0.02) =   0.003%
          HB2   GLU-  79 - HH2   TRP   49  17.75 +/- 2.00   0.027% *  4.1454% (0.73   0.02   0.02) =   0.002%
          QG    GLU-  15 - HH2   TRP   49  27.15 +/- 2.02   0.002% *  1.4235% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HH2   TRP   49  27.87 +/- 1.92   0.002% *  1.1298% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  14 - HH2   TRP   49  28.27 +/- 2.70   0.002% *  0.8808% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HH2   TRP   49  37.45 +/- 2.17   0.000% *  4.9520% (0.87   0.02   0.02) =   0.000%
          QB    MET   11 - HH2   TRP   49  36.76 +/- 3.04   0.000% *  3.9214% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.03 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.867, support = 2.0, residual support = 3.49:
          HB3   PRO   52 - HH2   TRP   49   4.79 +/- 0.39  95.749% * 92.8146% (0.87   2.00   3.49) =  99.975%  kept
          HB3   GLN   90 - HH2   TRP   49  10.56 +/- 2.07   2.856% *  0.4797% (0.45   0.02   0.02) =   0.015%
          HG2   ARG+  54 - HH2   TRP   49  10.55 +/- 0.74   0.980% *  0.7350% (0.69   0.02   0.02) =   0.008%
          QB    LYS+  81 - HH2   TRP   49  14.15 +/- 1.71   0.267% *  0.4016% (0.38   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HH2   TRP   49  16.35 +/- 1.70   0.091% *  0.3650% (0.34   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HH2   TRP   49  22.72 +/- 2.33   0.012% *  0.6922% (0.65   0.02   0.02) =   0.000%
          HG12  ILE  103 - HH2   TRP   49  23.90 +/- 2.22   0.009% *  0.6490% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HH2   TRP   49  24.84 +/- 2.08   0.007% *  0.7770% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  66 - HH2   TRP   49  22.41 +/- 2.73   0.014% *  0.2975% (0.28   0.02   0.02) =   0.000%
          HG    LEU  123 - HH2   TRP   49  26.21 +/- 2.48   0.004% *  0.9281% (0.87   0.02   0.02) =   0.000%
          HB    VAL   41 - HH2   TRP   49  25.87 +/- 2.54   0.006% *  0.4797% (0.45   0.02   0.02) =   0.000%
          HG3   PRO   68 - HH2   TRP   49  30.01 +/- 3.05   0.002% *  0.8177% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  33 - HH2   TRP   49  28.57 +/- 2.04   0.003% *  0.5629% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 1 structures by 0.42 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 2.26, residual support = 20.0:
      O   QB    PHE   55 - QD    PHE   55   2.15 +/- 0.04  99.538% * 99.2903% (0.25  10.0   2.26  20.05) =  99.999%  kept
          HD2   ARG+  54 - QD    PHE   55   6.53 +/- 0.88   0.204% *  0.2415% (0.61   1.0   0.02   3.18) =   0.000%
          HB3   CYS   53 - QD    PHE   55   7.94 +/- 0.82   0.103% *  0.2095% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - QD    PHE   55   7.09 +/- 1.20   0.154% *  0.1358% (0.34   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   55  19.36 +/- 1.61   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 123 (4.46, 7.32, 132.31 ppm):
    6 chemical-shift based assignments, quality = 0.842, support = 1.96, residual support = 19.3:
          HA    PHE   55 - QD    PHE   55   2.94 +/- 0.31  95.467% * 52.9666% (0.84   1.98  20.05) =  96.134%  kept
          HA    ALA  110 - QD    PHE   55   5.66 +/- 1.37   4.430% * 45.8954% (1.00   1.44   0.28) =   3.866%  kept
          HA    VAL  107 - QD    PHE   55  10.63 +/- 0.75   0.053% *  0.2183% (0.34   0.02   0.02) =   0.000%
          HA    ALA   91 - QD    PHE   55  11.45 +/- 1.29   0.040% *  0.1425% (0.22   0.02   0.02) =   0.000%
          HA    GLN   90 - QD    PHE   55  14.52 +/- 1.21   0.008% *  0.6176% (0.97   0.02   0.02) =   0.000%
          HA    VAL   42 - QD    PHE   55  18.03 +/- 0.84   0.002% *  0.1596% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 0.658, support = 0.841, residual support = 1.06:
          QB    ALA  110 - QD    PHE   55   4.21 +/- 1.80  79.446% * 27.4122% (0.80  1.00   0.44   0.28) =  71.142%  kept
          HB3   LEU  115 - QD    PHE   55   6.22 +/- 1.01  19.672% * 44.7740% (0.31  1.00   1.85   3.01) =  28.773%  kept
        T QG    LYS+  66 - QD    PHE   55  13.81 +/- 1.08   0.101% * 14.8729% (0.95 10.00   0.02   0.02) =   0.049%
          QB    ALA   61 - QD    PHE   55  10.11 +/- 0.85   0.624% *  1.5173% (0.97  1.00   0.02   0.02) =   0.031%
        T HG    LEU   67 - QD    PHE   55  18.61 +/- 1.45   0.018% *  3.5004% (0.22 10.00   0.02   0.02) =   0.002%
          HB3   LEU   67 - QD    PHE   55  18.43 +/- 1.04   0.016% *  1.5723% (1.00  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD    PHE   55  16.00 +/- 1.59   0.050% *  0.3111% (0.20  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD    PHE   55  19.82 +/- 0.89   0.010% *  1.2590% (0.80  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    PHE   55  20.33 +/- 1.29   0.009% *  1.3133% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    PHE   55  17.06 +/- 1.20   0.030% *  0.2753% (0.18  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    PHE   55  21.63 +/- 1.31   0.007% *  1.1417% (0.73  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   55  20.40 +/- 1.32   0.009% *  0.4853% (0.31  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    PHE   55  20.85 +/- 0.88   0.007% *  0.4853% (0.31  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   55  26.05 +/- 1.51   0.002% *  1.0800% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 2 structures by 0.23 A, kept.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.866, support = 1.22, residual support = 3.01:
          QD2   LEU  115 - QD    PHE   55   5.81 +/- 1.09  91.499% * 81.9802% (0.87  1.00   1.23   3.01) =  99.815%  kept
          QD1   LEU   63 - QD    PHE   55   9.66 +/- 0.65   5.688% *  1.5395% (1.00  1.00   0.02   0.02) =   0.117%
        T QD2   LEU   80 - QD    PHE   55  17.07 +/- 0.87   0.224% * 12.8878% (0.84 10.00   0.02   0.02) =   0.038%
          QD2   LEU   63 - QD    PHE   55  11.50 +/- 1.01   2.085% *  0.8118% (0.53  1.00   0.02   0.02) =   0.023%
          QD1   LEU   73 - QD    PHE   55  17.41 +/- 0.80   0.212% *  1.5395% (1.00  1.00   0.02   0.02) =   0.004%
          QD1   LEU  104 - QD    PHE   55  17.67 +/- 0.86   0.177% *  0.9358% (0.61  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - QD    PHE   55  18.88 +/- 0.82   0.114% *  0.3053% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 12 structures by 1.52 A, kept.
 
    Peak 126 (3.16, 7.33, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.988, support = 0.0199, residual support = 0.0199:
          HB3   PHE   59 - QE    PHE   95   5.50 +/- 1.37  99.234% * 72.5341% (0.99   0.02   0.02) =  99.709%  kept
          HB3   TRP   49 - QE    PHE   95  14.68 +/- 1.92   0.766% * 27.4659% (0.38   0.02   0.02) =   0.291%
    Distance limit 4.26 A violated in 12 structures by 1.36 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 = 0.34, support = 2.29, residual support = 35.6:
          HB    VAL  107 - QE    PHE   95   5.11 +/- 0.55  70.964% * 30.0331% (0.28  1.00   2.86  45.47) =  77.835%  kept
        T HB3   ASP-  62 - QE    PHE   95   7.33 +/- 0.69  10.297% * 46.4827% (0.57 10.00   0.22   0.02) =  17.481%  kept
          HB3   PHE   45 - QE    PHE   95   7.71 +/- 1.19  10.468% *  6.0623% (0.69  1.00   0.23   1.89) =   2.318%  kept
          HG3   MET   96 - QE    PHE   95   9.40 +/- 1.03   4.041% * 10.7622% (0.20  1.00   1.44  11.99) =   1.588%  kept
        T QE    LYS+ 112 - QE    PHE   95   9.75 +/- 1.85   4.084% *  5.1908% (0.69 10.00   0.02   0.02) =   0.774%  kept
          HB3   ASP-  86 - QE    PHE   95  15.15 +/- 0.80   0.116% *  0.7148% (0.95  1.00   0.02   0.02) =   0.003%
          HG2   GLU-  29 - QE    PHE   95  19.46 +/- 1.14   0.028% *  0.7540% (1.00  1.00   0.02   0.02) =   0.001%
    Distance limit 4.78 A violated in 0 structures by 0.17 A, kept.
 
    Peak 129 (1.70, 7.33, 131.79 ppm):
    10 chemical-shift based assignments, quality = 0.54, support = 0.501, residual support = 0.632:
          QG1   ILE   56 - QE    PHE   95   4.34 +/- 1.59  77.620% * 32.4588% (0.53   0.51   0.66) =  94.962%  kept
          QD    LYS+ 106 - QE    PHE   95   9.65 +/- 0.55   1.913% * 55.8091% (1.00   0.46   0.02) =   4.023%  kept
          HG3   PRO   93 - QE    PHE   95   6.52 +/- 1.56  11.924% *  0.9115% (0.38   0.02   0.02) =   0.410%
          HB3   MET   92 - QE    PHE   95   8.56 +/- 1.57   3.089% *  1.9446% (0.80   0.02   0.02) =   0.226%
          HB2   LEU   73 - QE    PHE   95   8.88 +/- 0.64   2.504% *  2.2418% (0.92   0.02   0.02) =   0.212%
          QD    LYS+  99 - QE    PHE   95  13.14 +/- 1.75   0.935% *  2.4285% (1.00   0.02   0.02) =   0.086%
          HB3   LYS+  99 - QE    PHE   95  13.73 +/- 2.08   1.266% *  0.9984% (0.41   0.02   0.02) =   0.048%
          HD2   LYS+ 111 - QE    PHE   95  12.04 +/- 1.29   0.323% *  1.6682% (0.69   0.02   0.02) =   0.020%
          HB2   LEU  123 - QE    PHE   95  12.96 +/- 1.54   0.306% *  0.9984% (0.41   0.02   0.02) =   0.012%
          QD    LYS+ 102 - QE    PHE   95  15.96 +/- 1.17   0.120% *  0.5407% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.63 A violated in 3 structures by 0.44 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 130 (1.17, 7.33, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.676, support = 2.56, residual support = 44.0:
          QG2   VAL  107 - QE    PHE   95   4.41 +/- 0.80  85.326% * 63.1380% (0.69  1.00   2.61  45.47) =  95.513%  kept
          QG2   THR   94 - QE    PHE   95   6.42 +/- 0.43  10.612% * 20.0352% (0.34  1.00   1.67  14.33) =   3.769%  kept
          HG13  ILE  103 - QE    PHE   95  11.13 +/- 1.42   2.613% * 15.1616% (1.00  1.00   0.43   0.02) =   0.702%  kept
        T QB    ALA   20 - QE    PHE   95  10.76 +/- 0.64   0.557% *  1.0856% (0.15 10.00   0.02   0.02) =   0.011%
          HB3   LYS+ 112 - QE    PHE   95  11.24 +/- 1.82   0.489% *  0.2641% (0.38  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - QE    PHE   95  12.38 +/- 1.73   0.403% *  0.3154% (0.45  1.00   0.02   0.02) =   0.002%
    Distance limit 4.67 A violated in 0 structures by 0.10 A, kept.
 
    Peak 131 (0.58, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.969, support = 1.56, residual support = 4.07:
          QD1   LEU   63 - QE    PHE   95   3.14 +/- 1.04  75.438% * 53.3680% (1.00  1.00   1.64   4.34) =  89.327%  kept
          QD2   LEU  115 - QE    PHE   95   6.25 +/- 1.87  14.378% * 20.3366% (0.87  1.00   0.72   0.14) =   6.488%  kept
          QD2   LEU   63 - QE    PHE   95   4.81 +/- 1.33   9.525% * 19.6832% (0.53  1.00   1.15   4.34) =   4.160%  kept
        T QD2   LEU   80 - QE    PHE   95  10.44 +/- 0.71   0.162% *  5.4387% (0.84 10.00   0.02   0.02) =   0.020%
          QD1   LEU   73 - QE    PHE   95   8.57 +/- 0.65   0.345% *  0.6497% (1.00  1.00   0.02   0.02) =   0.005%
          QD1   LEU  104 - QE    PHE   95  10.39 +/- 1.54   0.097% *  0.3949% (0.61  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QE    PHE   95  12.59 +/- 1.00   0.057% *  0.1289% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 0.342, residual support = 0.136:
        T QD1   LEU  115 - QE    PHE   95   6.29 +/- 1.88  32.797% * 90.7479% (0.34 10.00   0.37   0.14) =  84.643%  kept
          QB    ALA   64 - QE    PHE   95   5.42 +/- 1.09  60.009% *  8.9637% (0.57  1.00   0.22   0.14) =  15.298%  kept
          QG1   VAL   75 - QE    PHE   95   8.16 +/- 0.87   7.194% *  0.2884% (0.20  1.00   0.02   0.02) =   0.059%
    Distance limit 4.30 A violated in 5 structures by 0.55 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 1.13, residual support = 71.9:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  98.853% * 99.6239% (0.84  10.0   1.13  71.95) = 100.000%  kept
          HN    LEU   63 - QD    PHE   60   4.89 +/- 0.55   1.145% *  0.0326% (0.15   1.0   0.02  11.69) =   0.000%
          HZ2   TRP   87 - QD    PHE   60  14.25 +/- 0.59   0.002% *  0.1898% (0.90   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD    PHE   60  16.30 +/- 1.00   0.001% *  0.1537% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 3.83, residual support = 71.9:
      O T HB3   PHE   60 - QD    PHE   60   2.60 +/- 0.16  99.800% * 99.7227% (0.73  10.0 10.00   3.83  71.95) = 100.000%  kept
          QE    LYS+  65 - QD    PHE   60   8.28 +/- 1.20   0.157% *  0.0241% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - QD    PHE   60  12.13 +/- 0.79   0.011% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    PHE   60  10.97 +/- 0.62   0.019% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   60  12.53 +/- 0.94   0.009% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  15.75 +/- 0.56   0.002% *  0.0468% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  20.44 +/- 1.43   0.000% *  0.0943% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 138 (0.79, 7.29, 132.36 ppm):
    5 chemical-shift based assignments, quality = 0.898, support = 0.916, residual support = 2.19:
          QD2   LEU   73 - QD    PHE   60   7.61 +/- 0.86  21.892% * 79.6269% (0.84  1.00   1.39   2.10) =  58.816%  kept
          QD1   ILE   56 - QD    PHE   60   5.74 +/- 1.27  75.531% * 16.0938% (0.99  1.00   0.24   2.34) =  41.014%  kept
        T QG1   VAL   41 - QD    PHE   60  11.94 +/- 1.09   1.800% *  2.3981% (0.18 10.00   0.02   0.02) =   0.146%
          HG3   LYS+ 121 - QD    PHE   60  14.23 +/- 1.29   0.448% *  0.9406% (0.69  1.00   0.02   0.02) =   0.014%
          HG    LEU   31 - QD    PHE   60  15.33 +/- 1.17   0.329% *  0.9406% (0.69  1.00   0.02   0.02) =   0.010%
    Distance limit 3.88 A violated in 14 structures by 1.57 A, kept.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.78, residual support = 3.0:
          QB    ALA   64 - QD    PHE   60   3.98 +/- 0.69 100.000% *100.0000% (0.95   1.78   3.00) = 100.000%  kept
    Distance limit 3.82 A violated in 3 structures by 0.30 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   2.81 +/- 0.49  99.905% * 99.3269% (0.97   4.09  62.60) = 100.000%  kept
          HN    LEU  115 - QD    PHE   97  10.18 +/- 0.99   0.080% *  0.4855% (0.97   0.02   0.02) =   0.000%
          HN    ASP- 113 - QD    PHE   97  13.41 +/- 0.84   0.014% *  0.0996% (0.20   0.02   0.02) =   0.000%
          HN    ALA   12 - QD    PHE   97  22.96 +/- 2.02   0.001% *  0.0881% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 0.665, support = 0.858, residual support = 1.22:
          HA    THR  118 - QD    PHE   97   6.06 +/- 0.73  61.393% * 47.4707% (0.61   0.92   1.71) =  62.742%  kept
          HA    ILE  119 - QD    PHE   97   6.91 +/- 1.55  35.533% * 48.6480% (0.76   0.75   0.40) =  37.214%  kept
          HA    VAL   75 - QD    PHE   97  13.40 +/- 0.53   0.660% *  0.8931% (0.53   0.02   0.02) =   0.013%
          HA2   GLY  109 - QD    PHE   97  12.40 +/- 0.57   1.094% *  0.5239% (0.31   0.02   0.02) =   0.012%
          HA    ALA   84 - QD    PHE   97  13.59 +/- 0.61   0.668% *  0.8263% (0.49   0.02   0.02) =   0.012%
          HD3   PRO   58 - QD    PHE   97  13.25 +/- 0.95   0.591% *  0.4720% (0.28   0.02   0.02) =   0.006%
          HB2   TRP   49 - QD    PHE   97  20.93 +/- 0.92   0.061% *  1.1660% (0.69   0.02   0.02) =   0.002%
    Distance limit 4.15 A violated in 14 structures by 1.39 A, kept.
 
    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   2.40 +/- 0.11  99.071% * 99.6874% (0.90  10.0 10.00   2.44  62.60) =  99.999%  kept
          QE    LYS+ 106 - QD    PHE   97   6.05 +/- 0.92   0.655% *  0.1051% (0.95   1.0  1.00   0.02  10.43) =   0.001%
          QE    LYS+  99 - QD    PHE   97   7.06 +/- 1.16   0.237% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    PHE   97   9.69 +/- 1.19   0.033% *  0.0890% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   97  12.82 +/- 0.70   0.005% *  0.0964% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.48 +/- 0.12  99.975% * 99.7112% (1.00  10.0 10.00   2.74  62.60) = 100.000%  kept
          HB2   GLU- 100 - QD    PHE   97  11.53 +/- 0.54   0.011% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD    PHE   97  12.03 +/- 0.97   0.010% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD    PHE   97  14.19 +/- 1.42   0.004% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   97  17.35 +/- 0.83   0.001% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (1.10, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.815, support = 0.995, residual support = 2.33:
          QG1   VAL  107 - QD    PHE   97   4.75 +/- 0.72  91.040% * 61.2899% (0.84   0.99   2.43) =  95.231%  kept
          HG13  ILE  119 - QD    PHE   97   7.94 +/- 1.94   7.929% * 35.0998% (0.41   1.15   0.40) =   4.750%  kept
          QG1   VAL   24 - QD    PHE   97  13.81 +/- 1.69   0.453% *  1.4866% (1.00   0.02   0.02) =   0.011%
          HB3   LEU   31 - QD    PHE   97  12.35 +/- 0.77   0.471% *  0.6665% (0.45   0.02   0.02) =   0.005%
          HD3   LYS+ 112 - QD    PHE   97  15.22 +/- 1.08   0.108% *  1.4572% (0.98   0.02   0.02) =   0.003%
    Distance limit 3.90 A violated in 7 structures by 0.79 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.706, support = 3.09, residual support = 16.5:
          HB2   LEU  104 - QD    PHE   97   4.76 +/- 0.40  75.591% * 62.7604% (0.69   3.30  18.22) =  90.626%  kept
          QD1   ILE  119 - QD    PHE   97   7.32 +/- 1.68  14.042% * 30.0974% (0.95   1.15   0.40) =   8.073%  kept
          QG2   VAL  108 - QD    PHE   97   6.81 +/- 0.47   9.982% *  6.8061% (0.53   0.47   0.02) =   1.298%  kept
          HB    VAL   75 - QD    PHE   97  11.56 +/- 0.88   0.385% *  0.3360% (0.61   0.02   0.02) =   0.002%
    Distance limit 4.06 A violated in 0 structures by 0.47 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.2, support = 1.27, residual support = 1.68:
          QG2   THR  118 - QD    PHE   97   3.51 +/- 1.23  63.812% * 97.3997% (0.20   1.29   1.71) =  98.509%  kept
          QG2   VAL   70 - QD    PHE   97   4.32 +/- 1.94  36.188% *  2.6003% (0.34   0.02   0.02) =   1.491%  kept
    Distance limit 4.20 A violated in 1 structures by 0.08 A, kept.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 0.02, residual support = 0.02:
          QB    ALA   64 - QD    PHE   97   7.99 +/- 1.28  94.293% * 85.0969% (1.00   0.02   0.02) =  98.951%  kept
          QB    ALA   47 - QD    PHE   97  13.33 +/- 0.48   5.707% * 14.9031% (0.18   0.02   0.02) =   1.049%  kept
    Distance limit 4.52 A violated in 20 structures by 3.37 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 2.94, residual support = 29.5:
          HN    LEU  115 - QD    PHE   59   5.33 +/- 0.93  88.287% * 99.0661% (0.97   2.94  29.52) =  99.972%  kept
          HN    ASP- 113 - QD    PHE   59   8.08 +/- 0.78  10.149% *  0.1381% (0.20   0.02   0.02) =   0.016%
          HN    PHE   97 - QD    PHE   59  10.85 +/- 1.44   1.553% *  0.6736% (0.97   0.02   0.02) =   0.012%
          HN    ALA   12 - QD    PHE   59  25.66 +/- 1.28   0.010% *  0.1222% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 7 structures by 0.73 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.606, support = 2.91, residual support = 56.6:
          HA    PHE   59 - QD    PHE   59   2.99 +/- 0.63  82.588% * 77.9897% (0.61   3.02  58.47) =  95.148%  kept
          HA    ILE   56 - QD    PHE   59   4.63 +/- 0.92  16.927% * 19.3804% (0.61   0.75  20.29) =   4.846%  kept
          HA    ASP- 113 - QD    PHE   59   7.93 +/- 0.72   0.415% *  0.8502% (1.00   0.02   0.02) =   0.005%
          HA    LEU  123 - QD    PHE   59  10.38 +/- 1.08   0.058% *  0.4148% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD    PHE   59  16.11 +/- 1.44   0.006% *  0.6823% (0.80   0.02   0.02) =   0.000%
          HA    TRP   87 - QD    PHE   59  16.68 +/- 1.67   0.005% *  0.1315% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    PHE   59  22.41 +/- 1.55   0.001% *  0.5512% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 0.991, support = 2.16, residual support = 18.0:
        T HA    ILE  119 - QD    PHE   59   5.21 +/- 0.75  80.750% * 57.8301% (1.00 10.00   2.25  19.06) =  86.875%  kept
        T HA    THR  118 - QD    PHE   59   6.95 +/- 1.05  16.791% * 42.0116% (0.95 10.00   1.53  10.66) =  13.124%  kept
          HA2   GLY  109 - QD    PHE   59  10.34 +/- 0.78   1.905% *  0.0398% (0.69  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - QD    PHE   59  15.86 +/- 1.54   0.134% *  0.0568% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QD    PHE   59  16.14 +/- 1.54   0.134% *  0.0503% (0.87  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QD    PHE   59  14.57 +/- 1.53   0.286% *  0.0115% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 2 structures by 0.57 A, kept.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.72, residual support = 58.5:
      O   HB2   PHE   59 - QD    PHE   59   2.40 +/- 0.14  99.677% * 99.6982% (0.97  10.0   2.72  58.47) = 100.000%  kept
          QB    PHE   55 - QD    PHE   59   7.04 +/- 0.66   0.198% *  0.0789% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - QD    PHE   59   9.26 +/- 1.48   0.050% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - QD    PHE   59   9.14 +/- 1.18   0.046% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   59  11.52 +/- 1.92   0.018% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - QD    PHE   59  11.64 +/- 0.86   0.009% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (3.17, 7.19, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.15, residual support = 58.5:
      O   HB3   PHE   59 - QD    PHE   59   2.53 +/- 0.15  99.997% * 99.9680% (0.97  10.0   3.15  58.47) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  16.29 +/- 1.88   0.003% *  0.0320% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.895, support = 2.71, residual support = 29.3:
          HB2   PRO   58 - QD    PHE   59   5.80 +/- 0.79  53.961% * 67.6073% (0.99   2.94  40.31) =  72.236%  kept
          HB2   GLN  116 - QD    PHE   59   6.04 +/- 0.73  44.249% * 31.6735% (0.65   2.11   0.56) =  27.751%  kept
          HB3   PHE   97 - QD    PHE   59  10.81 +/- 1.29   1.750% *  0.3716% (0.80   0.02   0.02) =   0.013%
          HB2   GLU- 100 - QD    PHE   59  20.31 +/- 1.63   0.032% *  0.2442% (0.53   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QD    PHE   59  25.30 +/- 1.56   0.008% *  0.1033% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 9 structures by 0.76 A, kept.
 
    Peak 154 (1.72, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 1.97, residual support = 20.3:
        T QG1   ILE   56 - QD    PHE   59   2.97 +/- 0.77  99.816% * 99.7160% (0.97 10.00   1.97  20.29) = 100.000%  kept
          QD    LYS+ 106 - QD    PHE   59  10.85 +/- 1.33   0.103% *  0.0357% (0.34  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD    PHE   59  14.81 +/- 1.54   0.014% *  0.0838% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD    PHE   59  15.99 +/- 1.43   0.010% *  0.1044% (1.00  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD    PHE   59  13.72 +/- 1.88   0.039% *  0.0207% (0.20  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD    PHE   59  14.72 +/- 1.29   0.018% *  0.0393% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 0.556, support = 2.49, residual support = 29.5:
          HB3   LEU  115 - QD    PHE   59   3.40 +/- 1.23  53.271% * 71.4842% (0.65   2.37  29.52) =  81.598%  kept
          HG    LEU  115 - QD    PHE   59   3.74 +/- 0.87  39.045% * 21.9076% (0.15   3.05  29.52) =  18.329%  kept
          QB    ALA   61 - QD    PHE   59   6.13 +/- 0.41   1.761% *  0.6404% (0.69   0.02   0.38) =   0.024%
          QG    LYS+  66 - QD    PHE   59   7.38 +/- 0.91   1.175% *  0.8998% (0.97   0.02   0.02) =   0.023%
          QB    ALA  110 - QD    PHE   59   6.88 +/- 1.39   1.643% *  0.4180% (0.45   0.02   0.02) =   0.015%
          QB    ALA  120 - QD    PHE   59   6.82 +/- 0.83   2.896% *  0.1439% (0.15   0.02   0.02) =   0.009%
          HB3   LEU   67 - QD    PHE   59  10.71 +/- 1.18   0.071% *  0.7787% (0.84   0.02   0.02) =   0.001%
          HG    LEU   67 - QD    PHE   59  10.79 +/- 1.35   0.099% *  0.4905% (0.53   0.02   0.02) =   0.001%
          HG    LEU   40 - QD    PHE   59  13.42 +/- 1.35   0.018% *  0.6031% (0.65   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    PHE   59  13.94 +/- 1.39   0.011% *  0.9303% (1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    PHE   59  15.42 +/- 1.80   0.007% *  0.3499% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   59  20.03 +/- 1.72   0.001% *  0.8998% (0.97   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    PHE   59  17.81 +/- 1.79   0.002% *  0.4538% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 0.49, support = 2.56, residual support = 15.8:
        T HG13  ILE  119 - QD    PHE   59   3.33 +/- 0.77  67.164% * 65.6506% (0.41 10.00   3.03  19.06) =  81.416%  kept
        T QG1   VAL  107 - QD    PHE   59   4.14 +/- 1.00  29.622% * 33.9616% (0.84 10.00   0.51   1.31) =  18.575%  kept
          HD3   LYS+ 112 - QD    PHE   59   7.85 +/- 1.36   3.205% *  0.1565% (0.98  1.00   0.02   0.02) =   0.009%
          QG1   VAL   24 - QD    PHE   59  16.87 +/- 1.65   0.006% *  0.1597% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    PHE   59  19.85 +/- 1.59   0.002% *  0.0716% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.08 A, kept.
 
    Peak 157 (0.82, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.898, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   8.31 +/- 1.34  70.405% * 60.0043% (0.98   0.02   0.02) =  86.706%  kept
          HG3   LYS+ 121 - QD    PHE   59  10.53 +/- 0.96  24.187% * 22.9752% (0.38   0.02   0.02) =  11.405%  kept
          HB3   LEU  104 - QD    PHE   59  13.40 +/- 1.17   5.408% * 17.0205% (0.28   0.02   0.02) =   1.889%  kept
    Distance limit 4.53 A violated in 19 structures by 3.23 A, eliminated.
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.975, support = 4.45, residual support = 26.8:
          QD2   LEU  115 - QD    PHE   59   2.74 +/- 0.95  64.242% * 81.4314% (0.98   4.80  29.52) =  90.644%  kept
          QD1   LEU   63 - QD    PHE   59   3.33 +/- 0.91  30.997% * 17.4008% (0.92   1.09   0.41) =   9.346%  kept
          QD2   LEU   63 - QD    PHE   59   4.88 +/- 0.83   4.737% *  0.1182% (0.34   0.02   0.41) =   0.010%
          QD1   LEU  104 - QD    PHE   59  11.83 +/- 1.26   0.011% *  0.2774% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD    PHE   59  12.67 +/- 1.37   0.007% *  0.3198% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD    PHE   59  14.43 +/- 1.35   0.004% *  0.3343% (0.97   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD    PHE   59  16.52 +/- 1.28   0.002% *  0.1182% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 159 (0.43, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.48, residual support = 29.5:
        T QD1   LEU  115 - QD    PHE   59   3.45 +/- 0.84  97.977% * 99.9042% (0.84 10.00   4.48  29.52) = 100.000%  kept
          QB    ALA   64 - QD    PHE   59   7.36 +/- 0.59   1.901% *  0.0185% (0.15  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - QD    PHE   59  11.98 +/- 1.32   0.123% *  0.0774% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 1 structures by 0.10 A, kept.
 
    Peak 160 (4.14, 7.26, 128.86 ppm):
    8 chemical-shift based assignments, quality = 0.724, support = 1.49, residual support = 29.4:
        T HA    LEU  115 - QE    PHE   59   3.55 +/- 1.47  93.902% * 91.7013% (0.73 10.00   1.50  29.52) =  99.647%  kept
          HA    GLU- 114 - QE    PHE   59   6.89 +/- 0.87   4.091% *  7.3744% (1.00  1.00   0.88   0.02) =   0.349%
        T HA    ARG+  54 - QE    PHE   59  10.47 +/- 1.54   0.932% *  0.3332% (0.20 10.00   0.02   0.02) =   0.004%
          HA    CYS   53 - QE    PHE   59   8.50 +/- 2.10   1.041% *  0.0295% (0.18  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QE    PHE   59  18.71 +/- 3.06   0.012% *  0.1650% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QE    PHE   59  19.10 +/- 2.47   0.012% *  0.1461% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    PHE   59  19.83 +/- 2.90   0.007% *  0.1157% (0.69  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QE    PHE   59  21.58 +/- 2.78   0.004% *  0.1348% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 3 structures by 0.37 A, kept.
 
    Peak 161 (3.88, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.71, residual support = 10.7:
        T HB    THR  118 - QE    PHE   59   3.76 +/- 1.84  99.730% * 99.7224% (0.95 10.00   1.71  10.66) = 100.000%  kept
          HA    ILE   89 - QE    PHE   59  13.26 +/- 2.76   0.136% *  0.0749% (0.61  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QE    PHE   59  17.80 +/- 2.25   0.068% *  0.0554% (0.45  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QE    PHE   59  19.80 +/- 1.60   0.034% *  0.0508% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QE    PHE   59  21.11 +/- 2.20   0.023% *  0.0749% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  21.75 +/- 2.87   0.010% *  0.0216% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 4 structures by 0.59 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.777, support = 0.697, residual support = 1.51:
          HB    VAL  107 - QE    PHE   59   4.73 +/- 2.44  63.445% * 69.3694% (0.80   0.72   1.31) =  90.610%  kept
          HB3   ASP-  62 - QE    PHE   59   6.25 +/- 0.82  17.842% * 13.3594% (0.14   0.82   6.56) =   4.907%  kept
          QE    LYS+ 112 - QE    PHE   59   7.31 +/- 1.98  18.519% * 11.7328% (1.00   0.10   0.02) =   4.473%  kept
          HB3   PHE   45 - QE    PHE   59  11.56 +/- 3.04   0.182% *  2.4006% (1.00   0.02   0.02) =   0.009%
          HB3   ASP-  86 - QE    PHE   59  18.61 +/- 2.97   0.007% *  1.0787% (0.45   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QE    PHE   59  23.98 +/- 2.97   0.002% *  1.4593% (0.61   0.02   0.02) =   0.000%
          QG    GLN   32 - QE    PHE   59  21.60 +/- 2.46   0.003% *  0.5999% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.95 A violated in 0 structures by 0.02 A, kept.
 
    Peak 163 (2.27, 7.26, 128.86 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 4.11, residual support = 19.1:
          HG12  ILE  119 - QE    PHE   59   3.53 +/- 0.84  98.294% * 96.1178% (0.73   4.11  19.06) =  99.989%  kept
          HB2   ASP-  44 - QE    PHE   59   8.62 +/- 2.81   1.321% *  0.6382% (0.99   0.02   0.02) =   0.009%
          HB3   PHE   72 - QE    PHE   59  10.86 +/- 1.84   0.167% *  0.6424% (1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QE    PHE   59  14.21 +/- 2.80   0.036% *  0.6311% (0.98   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    PHE   59  12.08 +/- 2.02   0.140% *  0.1606% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  15 - QE    PHE   59  15.04 +/- 1.83   0.030% *  0.6091% (0.95   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   59  18.16 +/- 1.58   0.009% *  0.6424% (1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   59  25.04 +/- 1.43   0.001% *  0.3388% (0.53   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   59  22.47 +/- 2.71   0.002% *  0.2196% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 2 structures by 0.16 A, kept.
 
    Peak 164 (1.11, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 2.79, residual support = 12.1:
          HG13  ILE  119 - QE    PHE   59   3.94 +/- 0.93  30.856% * 76.0406% (0.73   3.64  19.06) =  60.695%  kept
          QG1   VAL  107 - QE    PHE   59   3.32 +/- 1.73  68.008% * 22.3327% (0.53   1.48   1.31) =  39.289%  kept
          HD3   LYS+ 112 - QE    PHE   59   8.69 +/- 1.63   1.120% *  0.5443% (0.95   0.02   0.02) =   0.016%
          QG1   VAL   24 - QE    PHE   59  16.57 +/- 2.62   0.005% *  0.4991% (0.87   0.02   0.02) =   0.000%
          QB    ALA   20 - QE    PHE   59  14.45 +/- 1.95   0.009% *  0.1435% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - QE    PHE   59  19.13 +/- 2.90   0.002% *  0.4398% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 1 structures by 0.08 A, kept.
 
    Peak 165 (0.60, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.802, support = 2.44, residual support = 23.9:
        T QD2   LEU  115 - QE    PHE   59   3.63 +/- 1.27  39.634% * 85.0311% (0.87 10.00   2.90  29.52) =  80.794%  kept
        T QD1   LEU   63 - QE    PHE   59   3.38 +/- 1.59  60.255% * 13.2951% (0.53 10.00   0.52   0.41) =  19.205%  kept
        T QD1   LEU  104 - QE    PHE   59  10.97 +/- 1.99   0.026% *  0.9781% (1.00 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QE    PHE   59  12.35 +/- 2.38   0.014% *  0.5157% (0.53 10.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QE    PHE   59  10.40 +/- 2.35   0.060% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QE    PHE   59  14.22 +/- 2.54   0.008% *  0.0879% (0.90  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QE    PHE   59  16.11 +/- 2.30   0.003% *  0.0749% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 2.91, residual support = 28.9:
          QD1   LEU  115 - QE    PHE   59   4.35 +/- 0.98  92.274% * 77.5535% (0.45   2.96  29.52) =  97.967%  kept
          QB    ALA   64 - QE    PHE   59   7.97 +/- 1.14   6.697% * 22.1212% (0.45   0.84   0.02) =   2.028%  kept
          QG1   VAL   75 - QE    PHE   59  11.78 +/- 2.51   1.029% *  0.3253% (0.28   0.02   0.02) =   0.005%
    Distance limit 4.49 A violated in 2 structures by 0.28 A, kept.
 
    Peak 167 (0.24, 7.26, 128.86 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.69, residual support = 10.7:
          QG2   THR  118 - QE    PHE   59   3.52 +/- 1.78 100.000% *100.0000% (0.80   3.69  10.66) = 100.000%  kept
    Distance limit 4.38 A violated in 4 structures by 0.48 A, kept.
 
    Peak 168 (7.28, 7.63, 131.92 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 1.13, residual support = 71.9:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  97.916% * 99.6777% (0.99  10.0   1.13  71.95) =  99.999%  kept
          QE    PHE   59 - QE    PHE   60   7.28 +/- 2.26   2.055% *  0.0496% (0.28   1.0   0.02  20.24) =   0.001%
          HN    LYS+  66 - QE    PHE   60   9.07 +/- 1.07   0.028% *  0.1364% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QE    PHE   60  15.05 +/- 1.17   0.001% *  0.1364% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.838, support = 2.32, residual support = 6.94:
          HB3   PHE   72 - QE    PHE   60   5.05 +/- 2.04  35.574% * 79.0963% (0.87   2.94   9.47) =  71.561%  kept
          HB2   ASP-  44 - QE    PHE   60   3.66 +/- 0.90  62.886% * 17.7724% (0.76   0.75   0.59) =  28.424%  kept
          HG3   MET   92 - QE    PHE   60  11.68 +/- 2.73   1.028% *  0.3511% (0.57   0.02   0.02) =   0.009%
          HG12  ILE  119 - QE    PHE   60   9.83 +/- 1.17   0.200% *  0.6079% (0.98   0.02   0.02) =   0.003%
          QG    GLU-  15 - QE    PHE   60  11.37 +/- 1.47   0.119% *  0.4012% (0.65   0.02   0.02) =   0.001%
          QG    GLN   90 - QE    PHE   60  12.50 +/- 1.92   0.063% *  0.5725% (0.92   0.02   0.02) =   0.001%
          QG    GLU-  14 - QE    PHE   60  13.05 +/- 2.23   0.064% *  0.4966% (0.80   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QE    PHE   60  12.28 +/- 1.37   0.055% *  0.1381% (0.22   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   60  16.66 +/- 1.21   0.008% *  0.4260% (0.69   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   60  20.71 +/- 2.13   0.003% *  0.1381% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.72 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 = 0.856, support = 0.882, residual support = 1.17:
          HB3   LEU   73 - QE    PHE   60   7.74 +/- 1.15   8.114% * 58.8053% (0.98  1.00   1.35   2.10) =  52.337%  kept
          HB    VAL   42 - QE    PHE   60   8.10 +/- 1.48   9.008% * 19.6401% (1.00  1.00   0.44   0.33) =  19.406%  kept
          HB3   LYS+  74 - QE    PHE   60   6.20 +/- 1.26  36.540% *  4.1321% (0.25  1.00   0.37   0.02) =  16.562%  kept
          HG3   LYS+  65 - QE    PHE   60   8.90 +/- 2.03   9.423% * 10.2109% (1.00  1.00   0.23   0.02) =  10.554%  kept
          HB3   PRO   93 - QE    PHE   60   6.76 +/- 2.83  35.046% *  0.2463% (0.28  1.00   0.02   0.02) =   0.947%  kept
        T QB    ALA   84 - QE    PHE   60  11.07 +/- 1.40   0.520% *  2.2087% (0.25 10.00   0.02   0.02) =   0.126%
          QB    LEU   98 - QE    PHE   60  12.47 +/- 1.19   0.329% *  0.4312% (0.49  1.00   0.02   0.02) =   0.016%
          HG3   LYS+ 106 - QE    PHE   60  13.45 +/- 1.48   0.163% *  0.7399% (0.84  1.00   0.02   0.02) =   0.013%
          HB2   LYS+ 112 - QE    PHE   60  14.19 +/- 2.01   0.114% *  0.8177% (0.92  1.00   0.02   0.02) =   0.010%
          QB    ALA   12 - QE    PHE   60  16.73 +/- 1.95   0.116% *  0.6769% (0.76  1.00   0.02   0.02) =   0.009%
          HG3   LYS+  33 - QE    PHE   60  16.43 +/- 1.52   0.082% *  0.8838% (1.00  1.00   0.02   0.02) =   0.008%
          HG    LEU   98 - QE    PHE   60  12.55 +/- 1.49   0.337% *  0.1551% (0.18  1.00   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - QE    PHE   60  14.33 +/- 1.72   0.186% *  0.1972% (0.22  1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 102 - QE    PHE   60  19.75 +/- 1.52   0.021% *  0.8548% (0.97  1.00   0.02   0.02) =   0.002%
    Distance limit 4.73 A violated in 2 structures by 0.33 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.218, support = 0.02, residual support = 2.27:
        T QD1   ILE   56 - QE    PHE   60   7.14 +/- 1.79  93.548% * 54.5438% (0.20 10.00   0.02   2.34) =  97.023%  kept
          QD2   LEU  123 - QE    PHE   60  13.21 +/- 1.16   5.053% * 25.4425% (0.92  1.00   0.02   0.02) =   2.444%  kept
          HG3   LYS+ 121 - QE    PHE   60  15.35 +/- 1.66   1.400% * 20.0137% (0.73  1.00   0.02   0.02) =   0.533%  kept
    Distance limit 4.95 A violated in 16 structures by 2.27 A, eliminated.
    Peak unassigned.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.791, support = 1.23, residual support = 2.76:
          QB    ALA   64 - QE    PHE   60   4.25 +/- 1.33  64.353% * 80.1564% (0.84   1.28   3.00) =  91.061%  kept
          QG1   VAL   42 - QE    PHE   60   5.28 +/- 1.15  26.076% * 19.1717% (0.34   0.75   0.33) =   8.825%  kept
          QB    ALA   47 - QE    PHE   60   8.00 +/- 1.52   9.570% *  0.6719% (0.45   0.02   0.02) =   0.114%
    Distance limit 4.54 A violated in 2 structures by 0.21 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.814, support = 1.7, residual support = 5.2:
          HB3   PHE   72 - QD    PHE   60   5.85 +/- 1.22  20.865% * 77.3744% (0.76   2.72   9.47) =  51.924%  kept
          HB2   ASP-  44 - QD    PHE   60   4.22 +/- 0.66  76.208% * 19.6035% (0.87   0.61   0.59) =  48.049%  kept
          HG12  ILE  119 - QD    PHE   60   8.15 +/- 0.79   1.966% *  0.2541% (0.34   0.02   0.02) =   0.016%
          QG    GLU-  15 - QD    PHE   60  11.84 +/- 0.98   0.211% *  0.7048% (0.95   0.02   0.02) =   0.005%
          HG2   MET   92 - QD    PHE   60  11.12 +/- 1.59   0.536% *  0.1305% (0.18   0.02   0.02) =   0.002%
          QG    GLN   90 - QD    PHE   60  12.89 +/- 1.05   0.116% *  0.5118% (0.69   0.02   0.02) =   0.002%
          QG    GLU-  14 - QD    PHE   60  13.89 +/- 1.47   0.088% *  0.6223% (0.84   0.02   0.02) =   0.002%
          QB    MET   11 - QD    PHE   60  21.48 +/- 1.44   0.006% *  0.6682% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QD    PHE   60  22.53 +/- 1.42   0.004% *  0.1305% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 0 structures by 0.01 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.05, residual support = 90.4:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  99.995% * 99.8968% (0.87  10.0   3.05  90.37) = 100.000%  kept
          HD22  ASN   28 - QD    PHE   72  13.87 +/- 0.59   0.002% *  0.0745% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QD    PHE   72  12.94 +/- 1.37   0.003% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 175 (7.30, 6.69, 132.41 ppm):
    5 chemical-shift based assignments, quality = 0.756, support = 3.33, residual support = 9.32:
          QD    PHE   60 - QD    PHE   72   4.33 +/- 1.34  83.141% * 91.0809% (0.76   3.37   9.47) =  98.410%  kept
          HN    LYS+  66 - QD    PHE   72   6.51 +/- 0.44  15.448% *  7.9005% (0.28   0.80   0.14) =   1.586%  kept
          HE3   TRP   27 - QD    PHE   72   9.76 +/- 0.70   1.308% *  0.1766% (0.25   0.02   0.02) =   0.003%
          HN    LYS+  81 - QD    PHE   72  17.94 +/- 0.62   0.028% *  0.7019% (0.99   0.02   0.02) =   0.000%
          QD    PHE   55 - QD    PHE   72  14.78 +/- 1.07   0.075% *  0.1401% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 4 structures by 0.45 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.272, support = 2.27, residual support = 10.7:
          QE    PHE   60 - QD    PHE   72   4.27 +/- 1.58  83.740% * 47.3069% (0.18   2.59   9.47) =  84.419%  kept
          HN    LEU   63 - QD    PHE   72   6.11 +/- 0.64  15.680% * 46.5802% (0.80   0.56  17.71) =  15.564%  kept
          HZ2   TRP   87 - QD    PHE   72  13.43 +/- 0.78   0.181% *  1.5164% (0.73   0.02   0.02) =   0.006%
          HD21  ASN   28 - QD    PHE   72  14.51 +/- 0.84   0.114% *  1.8728% (0.90   0.02   0.02) =   0.005%
          HN    ILE   56 - QD    PHE   72  13.41 +/- 1.13   0.138% *  1.4345% (0.69   0.02   0.02) =   0.004%
          HN    LYS+ 111 - QD    PHE   72  15.11 +/- 1.45   0.095% *  0.6445% (0.31   0.02   0.02) =   0.001%
          HN    ALA   84 - QD    PHE   72  16.43 +/- 0.77   0.052% *  0.6445% (0.31   0.02   0.02) =   0.001%
    Distance limit 4.68 A violated in 3 structures by 0.23 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.6, residual support = 90.4:
          HN    PHE   72 - QD    PHE   72   2.78 +/- 0.34  99.975% * 99.8229% (0.98   5.60  90.37) = 100.000%  kept
          HN    LEU  104 - QD    PHE   72  11.77 +/- 0.87   0.025% *  0.1771% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 0.73, support = 1.91, residual support = 90.4:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  53.189% * 52.6465% (0.76  10.0 10.00   1.00  90.37) =  55.837%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  46.804% * 47.3200% (0.69  10.0 10.00   3.05  90.37) =  44.163%  kept
          QE    PHE   45 - QE    PHE   72  10.27 +/- 1.35   0.007% *  0.0335% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 179 (7.30, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.69, support = 1.01, residual support = 8.04:
          QD    PHE   60 - QE    PHE   72   4.79 +/- 1.81  63.584% * 73.6833% (0.76   1.03   9.47) =  84.644%  kept
          HN    LYS+  66 - QE    PHE   72   5.29 +/- 0.44  35.977% * 23.6199% (0.28   0.91   0.14) =  15.353%  kept
          HE3   TRP   27 - QE    PHE   72  11.38 +/- 0.76   0.365% *  0.4675% (0.25   0.02   0.02) =   0.003%
          QD    PHE   55 - QE    PHE   72  14.31 +/- 1.57   0.062% *  0.3710% (0.20   0.02   0.02) =   0.000%
          HN    LYS+  81 - QE    PHE   72  19.51 +/- 0.92   0.012% *  1.8583% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 3 structures by 0.28 A, kept.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.0, residual support = 90.4:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  99.999% * 99.8250% (1.00  10.0   1.00  90.37) = 100.000%  kept
          HN    ALA   47 - HZ    PHE   72  16.76 +/- 2.02   0.001% *  0.1133% (0.57   1.0   0.02   0.02) =   0.000%
          HD22  ASN   28 - HZ    PHE   72  18.17 +/- 0.93   0.000% *  0.0618% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (5.29, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.61, residual support = 90.4:
          HA    PHE   72 - QD    PHE   72   2.87 +/- 0.33  99.926% * 99.8353% (0.90   4.61  90.37) = 100.000%  kept
          HA    MET   96 - QD    PHE   72   9.88 +/- 1.05   0.074% *  0.1647% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.68 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 = 0.356, support = 0.02, residual support = 0.02:
          HA    PHE   45 - QD    PHE   72   9.52 +/- 1.16  81.927% *  9.9133% (0.22   0.02   0.02) =  66.770%  kept
          HA    THR   23 - QD    PHE   72  13.99 +/- 0.55   9.041% * 28.8048% (0.65   0.02   0.02) =  21.410%  kept
          HA    ASP-  78 - QD    PHE   72  18.10 +/- 0.69   1.774% * 41.1037% (0.92   0.02   0.02) =   5.995%  kept
          HA    LEU   80 - QD    PHE   72  16.56 +/- 0.66   3.113% * 12.3802% (0.28   0.02   0.02) =   3.169%  kept
          HB    THR   23 - QD    PHE   72  15.90 +/- 0.48   4.146% *  7.7981% (0.18   0.02   0.02) =   2.658%  kept
    Distance limit 4.64 A violated in 20 structures by 4.53 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.662, support = 3.61, residual support = 57.7:
        T HA    ALA   64 - QD    PHE   72   3.00 +/- 0.47  27.551% * 82.2895% (0.92   1.0 10.00   3.10  39.24) =  63.956%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.47 +/- 0.16  72.426% * 17.6413% (0.20  10.0 10.00   4.53  90.37) =  36.044%  kept
          QE    LYS+  66 - QD    PHE   72   9.56 +/- 0.55   0.022% *  0.0222% (0.25   1.0  1.00   0.02   0.14) =   0.000%
          HB3   ASN   35 - QD    PHE   72  15.63 +/- 0.71   0.001% *  0.0469% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 184 (2.27, 6.69, 132.41 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.69, residual support = 90.4:
      O T HB3   PHE   72 - QD    PHE   72   2.45 +/- 0.19  96.828% * 99.4111% (0.98  10.0 10.00   4.69  90.37) =  99.997%  kept
          HB2   ASP-  44 - QD    PHE   72   5.31 +/- 1.40   2.024% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - QD    PHE   72   6.39 +/- 1.44   1.049% *  0.0847% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QD    PHE   72   9.59 +/- 1.62   0.059% *  0.0959% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QD    PHE   72   9.88 +/- 1.07   0.034% *  0.0880% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   72  15.69 +/- 1.01   0.002% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD    PHE   72  14.61 +/- 0.77   0.003% *  0.0494% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  16.91 +/- 1.87   0.001% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  16.76 +/- 1.17   0.001% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.797, support = 1.07, residual support = 6.48:
        T HB    VAL   42 - QD    PHE   72   3.99 +/- 0.73  87.480% * 65.2228% (0.80 10.00   0.95   5.35) =  96.540%  kept
          HB3   LEU   73 - QD    PHE   72   6.84 +/- 0.52   6.675% * 29.0065% (0.73  1.00   4.67  39.98) =   3.276%  kept
          HG3   LYS+  65 - QD    PHE   72   7.71 +/- 0.90   2.758% *  3.8189% (0.80  1.00   0.56   0.02) =   0.178%
          HB3   LYS+  74 - QD    PHE   72   8.04 +/- 0.79   1.863% *  0.0969% (0.57  1.00   0.02   0.02) =   0.003%
          QB    LEU   98 - QD    PHE   72   9.73 +/- 0.35   0.550% *  0.1430% (0.84  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD    PHE   72  11.77 +/- 1.07   0.257% *  0.1485% (0.87  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD    PHE   72  13.14 +/- 1.27   0.135% *  0.1697% (0.99  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QD    PHE   72  17.46 +/- 0.95   0.015% *  1.0384% (0.61 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    PHE   72  12.44 +/- 1.78   0.113% *  0.0901% (0.53  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD    PHE   72  12.91 +/- 1.16   0.083% *  0.0833% (0.49  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   72  14.63 +/- 0.97   0.046% *  0.0643% (0.38  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   72  16.66 +/- 1.13   0.024% *  0.1176% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.14 A, kept.
 
    Peak 186 (1.00, 6.69, 132.41 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 1.5, residual support = 35.4:
        T QD1   LEU   67 - QD    PHE   72   4.42 +/- 1.02  76.264% * 97.5868% (0.41 10.00   1.50  35.48) =  99.877%  kept
        T QD1   ILE  119 - QD    PHE   72   8.04 +/- 0.99   3.934% *  1.6652% (0.53 10.00   0.02   0.02) =   0.088%
          QD2   LEU   40 - QD    PHE   72   6.88 +/- 1.09  13.271% *  0.1419% (0.45  1.00   0.02   0.02) =   0.025%
          HB    VAL   75 - QD    PHE   72  10.04 +/- 0.86   1.001% *  0.3102% (0.98  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  74 - QD    PHE   72   8.14 +/- 1.03   4.194% *  0.0705% (0.22  1.00   0.02   0.02) =   0.004%
          QG2   ILE  103 - QD    PHE   72  11.38 +/- 0.81   0.423% *  0.0977% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QD    PHE   72  11.22 +/- 0.89   0.447% *  0.0789% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD    PHE   72  11.86 +/- 1.36   0.466% *  0.0488% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 1 structures by 0.24 A, kept.
 
    Peak 187 (0.79, 6.69, 132.41 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 6.14, residual support = 40.0:
          QD2   LEU   73 - QD    PHE   72   4.64 +/- 0.33  85.196% * 99.0503% (0.95   6.14  39.98) =  99.983%  kept
          QG1   VAL   41 - QD    PHE   72   7.87 +/- 0.85   4.865% *  0.0948% (0.28   0.02   0.02) =   0.005%
          QG1   VAL   43 - QD    PHE   72   7.00 +/- 0.45   8.240% *  0.0526% (0.15   0.02   0.02) =   0.005%
          QD1   ILE   56 - QD    PHE   72  10.13 +/- 1.24   1.134% *  0.3380% (0.99   0.02   0.02) =   0.005%
          HG    LEU   31 - QD    PHE   72  11.91 +/- 0.94   0.342% *  0.2848% (0.84   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QD    PHE   72  13.31 +/- 1.60   0.223% *  0.1794% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.11 A, kept.
 
    Peak 188 (0.41, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 5.01, residual support = 39.2:
        T QB    ALA   64 - QD    PHE   72   2.37 +/- 0.38  99.984% * 99.9781% (0.80 10.00   5.01  39.24) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   72  10.92 +/- 1.20   0.016% *  0.0219% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 2.83, residual support = 41.4:
        T QG2   VAL   70 - QD    PHE   72   3.18 +/- 0.88 100.000% *100.0000% (0.65 10.00   2.83  41.35) = 100.000%  kept
    Distance limit 4.43 A violated in 0 structures by 0.05 A, kept.
 
    Peak 190 (2.86, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.04, residual support = 39.2:
        T HA    ALA   64 - QE    PHE   72   2.59 +/- 0.43  99.835% * 99.5248% (0.38 10.00   4.04  39.24) = 100.000%  kept
          QE    LYS+  66 - QE    PHE   72   8.04 +/- 0.64   0.162% *  0.2123% (0.80  1.00   0.02   0.14) =   0.000%
          HB3   ASN   35 - QE    PHE   72  16.49 +/- 0.88   0.003% *  0.2628% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 3.93, residual support = 41.3:
        T HB    VAL   70 - QE    PHE   72   2.55 +/- 0.67  99.046% * 98.7668% (0.99 10.00   3.93  41.35) =  99.993%  kept
        T QG    GLN   17 - QE    PHE   72   7.59 +/- 1.14   0.695% *  0.9617% (0.97 10.00   0.02   0.02) =   0.007%
          HB2   MET   96 - QE    PHE   72   9.69 +/- 1.52   0.115% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   72  10.01 +/- 1.83   0.113% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   72  13.08 +/- 1.29   0.017% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  14.63 +/- 1.13   0.010% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QE    PHE   72  18.71 +/- 0.54   0.002% *  0.0894% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QE    PHE   72  15.99 +/- 0.88   0.003% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 192 (1.99, 6.99, 130.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 3.07, residual support = 35.5:
        T HB2   LEU   67 - QE    PHE   72   2.52 +/- 0.58  96.880% * 98.9499% (0.45 10.00   3.07  35.48) =  99.998%  kept
          QB    GLU-  15 - QE    PHE   72   7.13 +/- 1.72   2.016% *  0.0387% (0.18  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QE    PHE   72   7.49 +/- 0.99   0.423% *  0.1767% (0.80  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - QE    PHE   72   8.33 +/- 0.70   0.188% *  0.1603% (0.73  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QE    PHE   72   7.40 +/- 1.14   0.321% *  0.0491% (0.22  1.00   0.02   3.33) =   0.000%
          HB2   GLN   17 - QE    PHE   72   8.56 +/- 1.02   0.117% *  0.0387% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QE    PHE   72  12.38 +/- 1.58   0.021% *  0.1843% (0.84  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QE    PHE   72  12.78 +/- 2.08   0.020% *  0.1428% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QE    PHE   72  12.83 +/- 1.29   0.013% *  0.1914% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    PHE   72  19.06 +/- 0.54   0.001% *  0.0681% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.374, support = 3.06, residual support = 35.2:
          HB3   LEU   67 - QE    PHE   72   2.93 +/- 0.87  92.141% * 73.0015% (0.38   3.07  35.48) =  99.328%  kept
          QG    LYS+  66 - QE    PHE   72   6.67 +/- 0.61   2.174% * 18.5383% (0.22   1.32   0.14) =   0.595%  kept
          HG12  ILE   19 - QE    PHE   72   8.47 +/- 1.87   3.067% *  1.0571% (0.84   0.02   0.02) =   0.048%
          QB    ALA   61 - QE    PHE   72   6.70 +/- 0.92   1.979% *  0.6658% (0.53   0.02   0.02) =   0.019%
          HD3   LYS+ 121 - QE    PHE   72  10.80 +/- 2.00   0.282% *  1.1682% (0.92   0.02   0.02) =   0.005%
          QB    LEU   98 - QE    PHE   72   9.78 +/- 0.53   0.163% *  0.8187% (0.65   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QE    PHE   72  10.09 +/- 0.79   0.103% *  1.1350% (0.90   0.02   0.02) =   0.002%
          QB    ALA  110 - QE    PHE   72  12.61 +/- 2.01   0.045% *  0.9672% (0.76   0.02   0.02) =   0.001%
          QB    ALA   12 - QE    PHE   72  13.98 +/- 1.81   0.031% *  0.4750% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    PHE   72  16.24 +/- 1.17   0.007% *  1.2543% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    PHE   72  15.83 +/- 0.90   0.008% *  0.9190% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.06 A, kept.
 
    Peak 194 (1.00, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 4.12, residual support = 35.5:
        T QD1   LEU   67 - QE    PHE   72   2.96 +/- 0.53  95.468% * 98.1791% (0.41 10.00   4.12  35.48) =  99.975%  kept
        T QD1   ILE  119 - QE    PHE   72   6.86 +/- 1.12   1.598% *  1.2564% (0.53 10.00   0.02   0.02) =   0.021%
          QD2   LEU   40 - QE    PHE   72   6.38 +/- 1.02   2.503% *  0.1071% (0.45  1.00   0.02   0.02) =   0.003%
          HB    VAL   75 - QE    PHE   72  11.64 +/- 1.13   0.048% *  0.2341% (0.98  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    PHE   72  10.15 +/- 1.39   0.117% *  0.0595% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QE    PHE   72   9.99 +/- 1.11   0.128% *  0.0532% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    PHE   72  10.91 +/- 1.30   0.074% *  0.0737% (0.31  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    PHE   72  11.62 +/- 1.85   0.064% *  0.0368% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 0.6, support = 4.5, residual support = 23.1:
          HB3   LEU   63 - QE    PHE   72   3.30 +/- 1.58  44.303% * 79.3450% (0.73   4.46  17.71) =  77.101%  kept
          QG1   VAL   70 - QE    PHE   72   2.74 +/- 0.80  52.449% * 19.8962% (0.18   4.64  41.35) =  22.888%  kept
          QD1   LEU   40 - QE    PHE   72   4.73 +/- 0.57   2.936% *  0.1512% (0.31   0.02   0.02) =   0.010%
          QG1   VAL   18 - QE    PHE   72   6.83 +/- 0.91   0.307% *  0.1221% (0.25   0.02   3.33) =   0.001%
          QG1   VAL  108 - QE    PHE   72  13.13 +/- 1.73   0.005% *  0.4855% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.86, support = 3.74, residual support = 17.9:
          QD1   LEU   63 - QE    PHE   72   3.85 +/- 1.34  47.445% * 41.4614% (0.98   3.82  17.71) =  58.278%  kept
          QD2   LEU   63 - QE    PHE   72   3.55 +/- 0.76  49.849% * 27.7912% (0.69   3.65  17.71) =  41.042%  kept
          QD1   LEU   73 - QE    PHE   72   7.99 +/- 0.21   0.754% * 30.2958% (0.98   2.79  39.98) =   0.676%  kept
          QG2   VAL   41 - QE    PHE   72   8.18 +/- 0.62   1.228% *  0.0388% (0.18   0.02   0.02) =   0.001%
          QD1   LEU  104 - QE    PHE   72   8.61 +/- 1.08   0.450% *  0.0994% (0.45   0.02   0.02) =   0.001%
          QD2   LEU  115 - QE    PHE   72   9.35 +/- 1.17   0.227% *  0.1610% (0.73   0.02   0.02) =   0.001%
          QD2   LEU   80 - QE    PHE   72  12.26 +/- 0.57   0.047% *  0.1523% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.05 A, kept.
 
    Peak 198 (0.38, 6.99, 130.46 ppm):
    4 chemical-shift based assignments, quality = 0.682, support = 4.13, residual support = 38.3:
          QB    ALA   64 - QE    PHE   72   3.08 +/- 0.50  61.840% * 95.2151% (0.69   4.24  39.24) =  97.315%  kept
          QG1   VAL   42 - QE    PHE   72   3.59 +/- 1.31  38.147% *  4.2586% (0.49   0.27   5.35) =   2.685%  kept
          QB    ALA   47 - QE    PHE   72  13.44 +/- 1.60   0.009% *  0.3968% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QE    PHE   72  15.96 +/- 1.88   0.004% *  0.1295% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 199 (0.19, 6.99, 130.46 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 5.12, residual support = 41.4:
        T QG2   VAL   70 - QE    PHE   72   2.64 +/- 0.84 100.000% *100.0000% (0.90 10.00   5.12  41.35) = 100.000%  kept
    Distance limit 3.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 200 (2.85, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 2.74, residual support = 39.2:
        T HA    ALA   64 - HZ    PHE   72   3.33 +/- 0.74  99.276% * 99.7900% (0.65 10.00   2.74  39.24) =  99.999%  kept
          QE    LYS+  66 - HZ    PHE   72   8.37 +/- 1.02   0.715% *  0.0812% (0.53  1.00   0.02   0.14) =   0.001%
          HB3   ASN   35 - HZ    PHE   72  19.34 +/- 0.99   0.009% *  0.1288% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.04 A, kept.
 
    Peak 201 (2.20, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 3.3, residual support = 41.3:
        T HB    VAL   70 - HZ    PHE   72   4.27 +/- 0.62  97.764% * 98.2503% (0.92 10.00   3.30  41.35) =  99.981%  kept
        T QG    GLN   17 - HZ    PHE   72   9.34 +/- 1.23   1.432% *  1.0272% (0.97 10.00   0.02   0.02) =   0.015%
        T HB2   MET   96 - HZ    PHE   72  11.33 +/- 1.99   0.688% *  0.5600% (0.53 10.00   0.02   0.02) =   0.004%
          HB2   LYS+  38 - HZ    PHE   72  17.12 +/- 1.45   0.033% *  0.0399% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HZ    PHE   72  15.19 +/- 1.46   0.076% *  0.0164% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HZ    PHE   72  22.02 +/- 0.59   0.007% *  0.1062% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.14 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.447, support = 2.95, residual support = 35.4:
        T HB2   LEU   67 - HZ    PHE   72   3.08 +/- 0.62  91.956% * 91.8185% (0.45 10.00   2.96  35.48) =  99.781%  kept
          HG2   PRO   68 - HZ    PHE   72   8.50 +/- 1.46   2.483% *  7.3711% (0.80  1.00   0.90   0.02) =   0.216%
          QB    GLU-  15 - HZ    PHE   72   8.82 +/- 2.35   5.137% *  0.0359% (0.18  1.00   0.02   0.02) =   0.002%
          HB    ILE   19 - HZ    PHE   72  10.37 +/- 0.75   0.108% *  0.1487% (0.73  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HZ    PHE   72   9.40 +/- 1.16   0.169% *  0.0456% (0.22  1.00   0.02   3.33) =   0.000%
          HB2   LEU  115 - HZ    PHE   72  13.96 +/- 2.09   0.022% *  0.1711% (0.84  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HZ    PHE   72  14.17 +/- 2.68   0.026% *  0.1325% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HZ    PHE   72  10.53 +/- 1.08   0.088% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HZ    PHE   72  14.82 +/- 1.62   0.011% *  0.1776% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HZ    PHE   72  22.40 +/- 0.60   0.001% *  0.0632% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 0.373, support = 2.93, residual support = 35.0:
          HB3   LEU   67 - HZ    PHE   72   4.00 +/- 0.74  89.308% * 76.8756% (0.38   2.96  35.48) =  98.708%  kept
          QG    LYS+  66 - HZ    PHE   72   6.94 +/- 0.97   6.170% * 13.8632% (0.22   0.90   0.14) =   1.230%  kept
          HG12  ILE   19 - HZ    PHE   72  10.57 +/- 2.08   1.343% *  1.1571% (0.84   0.02   0.02) =   0.022%
          QB    ALA   61 - HZ    PHE   72   8.21 +/- 1.12   2.023% *  0.7289% (0.53   0.02   0.02) =   0.021%
          HD3   LYS+ 121 - HZ    PHE   72  11.34 +/- 2.51   0.583% *  1.2788% (0.92   0.02   0.02) =   0.011%
          QB    LEU   98 - HZ    PHE   72  11.32 +/- 0.82   0.282% *  0.8962% (0.65   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HZ    PHE   72  12.47 +/- 0.85   0.134% *  1.2424% (0.90   0.02   0.02) =   0.002%
          QB    ALA  110 - HZ    PHE   72  14.53 +/- 2.30   0.086% *  1.0587% (0.76   0.02   0.02) =   0.001%
          QB    ALA   12 - HZ    PHE   72  16.37 +/- 2.23   0.048% *  0.5199% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   80 - HZ    PHE   72  19.19 +/- 1.38   0.011% *  1.3731% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - HZ    PHE   72  18.76 +/- 1.10   0.013% *  1.0060% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.14 A, kept.
 
    Peak 204 (1.00, 6.71, 127.90 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 3.99, residual support = 35.5:
        T QD1   LEU   67 - HZ    PHE   72   2.83 +/- 0.60  98.273% * 96.1534% (0.41 10.00   3.99  35.48) =  99.988%  kept
        T QD1   ILE  119 - HZ    PHE   72   7.61 +/- 1.44   0.837% *  1.2305% (0.53 10.00   0.02   0.02) =   0.011%
          QD2   LEU   40 - HZ    PHE   72   7.55 +/- 0.94   0.722% *  0.1049% (0.45  1.00   0.02   0.02) =   0.001%
        T HB    VAL   75 - HZ    PHE   72  14.08 +/- 1.31   0.012% *  2.2925% (0.98 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HZ    PHE   72  11.13 +/- 1.92   0.069% *  0.0583% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HZ    PHE   72  12.16 +/- 1.83   0.036% *  0.0722% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HZ    PHE   72  12.44 +/- 1.18   0.030% *  0.0521% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HZ    PHE   72  13.24 +/- 2.28   0.020% *  0.0361% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.04 A, kept.
 
    Peak 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.85, support = 2.94, residual support = 21.6:
        T HB3   LEU   63 - HZ    PHE   72   3.57 +/- 2.14  64.684% * 69.6884% (0.95 10.00   2.98  17.71) =  83.197%  kept
        T QG1   VAL   70 - HZ    PHE   72   3.79 +/- 0.85  32.742% * 27.6490% (0.38 10.00   2.74  41.35) =  16.708%  kept
          QD1   LEU   71 - HZ    PHE   72   7.92 +/- 1.17   2.002% *  2.5507% (0.20  1.00   3.50  19.66) =   0.094%
          QG1   VAL   18 - HZ    PHE   72   8.62 +/- 0.96   0.240% *  0.0359% (0.49  1.00   0.02   3.33) =   0.000%
          QD1   LEU  123 - HZ    PHE   72   8.65 +/- 1.42   0.324% *  0.0146% (0.20  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HZ    PHE   72  15.00 +/- 2.17   0.008% *  0.0615% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.03 A, kept.
 
    Peak 206 (0.58, 6.71, 127.90 ppm):
    7 chemical-shift based assignments, quality = 0.761, support = 2.43, residual support = 17.9:
          QD2   LEU   63 - HZ    PHE   72   3.35 +/- 1.28  83.735% * 22.5491% (0.69   2.24  17.71) =  74.831%  kept
          QD1   LEU   63 - HZ    PHE   72   4.71 +/- 1.62  14.175% * 43.4638% (0.98   3.02  17.71) =  24.417%  kept
          QD1   LEU   73 - HZ    PHE   72   9.74 +/- 0.24   0.564% * 33.3893% (0.98   2.32  39.98) =   0.746%  kept
          QD1   LEU  104 - HZ    PHE   72   9.60 +/- 1.27   0.450% *  0.1316% (0.45   0.02   0.02) =   0.002%
          QG2   VAL   41 - HZ    PHE   72   9.78 +/- 0.68   0.838% *  0.0514% (0.18   0.02   0.02) =   0.002%
          QD2   LEU  115 - HZ    PHE   72  10.45 +/- 1.39   0.195% *  0.2132% (0.73   0.02   0.02) =   0.002%
          QD2   LEU   80 - HZ    PHE   72  14.58 +/- 0.66   0.042% *  0.2016% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 2 structures by 0.15 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.44, residual support = 41.4:
        T QG2   VAL   70 - HZ    PHE   72   4.09 +/- 0.65 100.000% *100.0000% (0.90 10.00   4.44  41.35) = 100.000%  kept
    Distance limit 4.66 A violated in 0 structures by 0.07 A, kept.
 
    Peak 208 (10.56, 7.75, 128.42 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 1.86, residual support = 70.4:
      O   HE1   TRP   87 - HD1   TRP   87   2.64 +/- 0.00 100.000% *100.0000% (0.98  10.0   1.86  70.42) = 100.000%  kept
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 209 (10.56, 7.61, 114.70 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 70.4:
      O   HE1   TRP   87 - HZ2   TRP   87   2.85 +/- 0.00  99.998% * 99.9913% (0.98  10.0   1.00  70.42) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  18.61 +/- 1.39   0.002% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (7.13, 7.71, 120.66 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 70.4:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  99.975% * 99.8601% (0.98  10.0 10.00   1.00  70.42) = 100.000%  kept
          QD    PHE   97 - HE3   TRP   87  10.30 +/- 0.97   0.025% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HE3   TRP   87  22.00 +/- 1.64   0.000% *  0.0382% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (7.61, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 1.0, residual support = 70.4:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  99.095% * 99.5607% (0.99  10.0   1.00  70.42) =  99.998%  kept
          HD21  ASN   28 - HH2   TRP   87   7.30 +/- 2.83   0.901% *  0.1969% (0.98   1.0   0.02   0.02) =   0.002%
          QE    PHE   60 - HH2   TRP   87  14.55 +/- 1.16   0.003% *  0.0978% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HH2   TRP   87  19.84 +/- 0.89   0.000% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  21.75 +/- 1.86   0.000% *  0.0620% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (7.22, 7.61, 114.70 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 1.0, residual support = 70.4:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  99.206% * 99.7330% (0.90  10.0   1.00  70.42) = 100.000%  kept
          HN    PHE   59 - HN    ILE   56   5.83 +/- 0.59   0.792% *  0.0027% (0.01   1.0   0.02  20.29) =   0.000%
          HN    HIS  122 - HZ2   TRP   87  21.25 +/- 1.54   0.000% *  0.1858% (0.84   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  20.93 +/- 1.38   0.000% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  16.81 +/- 0.81   0.001% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  21.75 +/- 1.86   0.000% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.867, support = 0.75, residual support = 6.0:
          HZ2   TRP   27 - HZ2   TRP   87   3.62 +/- 2.52  97.177% * 99.3931% (0.87   0.75   6.00) =  99.996%  kept
          HZ    PHE   72 - HZ2   TRP   87  16.97 +/- 1.26   0.709% *  0.4715% (0.15   0.02   0.02) =   0.003%
          HZ    PHE   72 - HN    ILE   56  15.60 +/- 1.99   1.959% *  0.0205% (0.01   0.02   0.02) =   0.000%
          HZ2   TRP   27 - HN    ILE   56  21.19 +/- 1.47   0.155% *  0.1150% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 1 structures by 0.60 A, kept.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.579, support = 0.02, residual support = 0.02:
          HD21  ASN   35 - HZ3   TRP   87  13.71 +/- 2.66  37.189% * 11.6802% (0.53   0.02   0.02) =  36.147%  kept
          QE    PHE   95 - HZ3   TRP   87  13.35 +/- 0.86  35.881% * 10.8062% (0.49   0.02   0.02) =  32.266%  kept
          HN    THR   23 - HZ3   TRP   87  15.61 +/- 1.64  14.573% * 11.6802% (0.53   0.02   0.02) =  14.165%  kept
          HD2   HIS   22 - HZ3   TRP   87  18.67 +/- 1.70   4.739% * 20.4937% (0.92   0.02   0.02) =   8.082%  kept
          HD1   TRP   49 - HZ3   TRP   87  20.97 +/- 1.52   2.474% * 22.0041% (0.99   0.02   0.02) =   4.530%  kept
          HN    LEU   67 - HZ3   TRP   87  20.84 +/- 0.91   2.439% * 19.9101% (0.90   0.02   0.02) =   4.040%  kept
          QD    PHE   55 - HZ3   TRP   87  21.14 +/- 1.48   2.704% *  3.4254% (0.15   0.02   0.02) =   0.771%  kept
    Distance limit 3.63 A violated in 20 structures by 7.46 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 = 22.5:
          HN    ASP-  86 - HD1   TRP   87   4.50 +/- 0.37  99.723% * 97.7183% (0.38   3.73  22.51) =  99.998%  kept
          HN    GLU-  29 - HD1   TRP   87  14.08 +/- 0.81   0.117% *  1.1171% (0.80   0.02   0.02) =   0.001%
          HN    GLN   30 - HD1   TRP   87  13.83 +/- 0.78   0.135% *  0.4306% (0.31   0.02   0.02) =   0.001%
          HN    VAL   18 - HD1   TRP   87  18.34 +/- 0.74   0.025% *  0.7340% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.11 A, kept.
 
    Peak 216 (-0.01, 7.23, 124.80 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.75, residual support = 1.82:
          QD1   LEU   31 - HH2   TRP   87   4.80 +/- 2.46 100.000% *100.0000% (0.80   0.75   1.82) = 100.000%  kept
    Distance limit 4.75 A violated in 3 structures by 0.72 A, kept.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.541, support = 1.87, residual support = 2.83:
          QD2   LEU   98 - HH2   TRP   87   5.45 +/- 1.67  62.372% * 70.6747% (0.53  1.00   2.00   3.08) =  91.826%  kept
          QG2   VAL   41 - HH2   TRP   87   6.96 +/- 1.77  16.145% * 23.5375% (0.73  1.00   0.48   0.02) =   7.916%  kept
          QD1   LEU   73 - HH2   TRP   87   8.02 +/- 1.70   7.220% *  0.6023% (0.45  1.00   0.02   0.02) =   0.091%
        T QD2   LEU  115 - HH2   TRP   87  18.00 +/- 2.56   1.200% *  2.3526% (0.18 10.00   0.02   0.02) =   0.059%
          QD2   LEU   80 - HH2   TRP   87   8.15 +/- 1.53   8.798% *  0.2073% (0.15  1.00   0.02   0.02) =   0.038%
          QD1   LEU   80 - HH2   TRP   87  10.16 +/- 1.59   2.441% *  0.7067% (0.53  1.00   0.02   0.02) =   0.036%
          QD2   LEU   63 - HH2   TRP   87  14.45 +/- 1.45   0.790% *  1.3167% (0.98  1.00   0.02   0.02) =   0.022%
          QD1   LEU   63 - HH2   TRP   87  13.89 +/- 1.51   1.034% *  0.6023% (0.45  1.00   0.02   0.02) =   0.013%
    Distance limit 4.60 A violated in 8 structures by 0.81 A, kept.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 0.749, residual support = 3.08:
          QD1   LEU   98 - HH2   TRP   87   5.93 +/- 1.39  94.871% * 94.3481% (0.76   0.75   3.08) =  99.908%  kept
          QD2   LEU  104 - HH2   TRP   87  12.03 +/- 1.38   2.137% *  2.3906% (0.73   0.02   0.02) =   0.057%
          QD1   ILE   19 - HH2   TRP   87  14.29 +/- 1.30   0.869% *  1.8639% (0.57   0.02   0.02) =   0.018%
          QG2   THR   46 - HH2   TRP   87  13.50 +/- 0.60   1.255% *  0.8209% (0.25   0.02   0.02) =   0.011%
          QG2   VAL   18 - HH2   TRP   87  14.40 +/- 0.97   0.869% *  0.5766% (0.18   0.02   0.02) =   0.006%
    Distance limit 4.18 A violated in 14 structures by 1.83 A, kept.
 
    Peak 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.26, residual support = 70.4:
      O T HB2   TRP   87 - HE3   TRP   87   2.54 +/- 0.11  99.999% * 99.0099% (1.00  10.0 10.00   3.26  70.42) = 100.000%  kept
        T HB2   PHE   60 - HE3   TRP   87  17.71 +/- 0.98   0.001% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 0.944, support = 0.419, residual support = 0.462:
        T QD1   ILE  103 - HE3   TRP   87   4.98 +/- 1.18  87.071% * 97.0266% (0.95 10.00   0.42   0.46) =  99.768%  kept
          QG2   ILE  103 - HE3   TRP   87   7.22 +/- 1.21  11.445% *  1.6944% (0.28  1.00   0.25   0.46) =   0.229%
          QD2   LEU   40 - HE3   TRP   87  11.62 +/- 0.82   0.870% *  0.0856% (0.18  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HE3   TRP   87  15.11 +/- 1.32   0.175% *  0.4241% (0.87  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HE3   TRP   87  17.18 +/- 1.52   0.108% *  0.4889% (1.00  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HE3   TRP   87  16.64 +/- 0.74   0.122% *  0.1835% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HE3   TRP   87  15.52 +/- 1.76   0.209% *  0.0968% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 6 structures by 0.64 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 222 (4.35, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.12, residual support = 70.4:
          HA    TRP   87 - HD1   TRP   87   4.60 +/- 0.11  99.924% * 99.0806% (0.80   4.12  70.42) = 100.000%  kept
          HA    PHE   59 - HD1   TRP   87  19.23 +/- 1.00   0.021% *  0.5797% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD1   TRP   87  16.63 +/- 0.83   0.047% *  0.0927% (0.15   0.02   0.02) =   0.000%
          HA    ASP- 113 - HD1   TRP   87  22.03 +/- 0.92   0.009% *  0.2470% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.04 A, kept.
 
    Peak 223 (3.79, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.94, residual support = 8.83:
        T HA    VAL   83 - HD1   TRP   87   5.32 +/- 0.63  94.224% * 95.9068% (0.41 10.00   3.94   8.84) =  99.944%  kept
        T HA    VAL   24 - HD1   TRP   87   8.91 +/- 0.93   5.619% *  0.8755% (0.38 10.00   0.02   0.02) =   0.054%
        T HA    GLU- 100 - HD1   TRP   87  18.07 +/- 0.95   0.078% *  1.0459% (0.45 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  38 - HD1   TRP   87  20.48 +/- 0.93   0.034% *  2.0922% (0.90 10.00   0.02   0.02) =   0.001%
          HD2   PRO   58 - HD1   TRP   87  19.90 +/- 0.92   0.044% *  0.0796% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 14 structures by 1.04 A, kept.
 
    Peak 224 (3.41, 7.75, 128.42 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.93, residual support = 70.4:
      O   HB2   TRP   87 - HD1   TRP   87   3.83 +/- 0.05  99.977% * 99.0099% (1.00  10.0  1.00   3.93  70.42) = 100.000%  kept
        T HB2   PHE   60 - HD1   TRP   87  15.51 +/- 0.60   0.023% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 22.5:
        T HB2   ASP-  86 - HD1   TRP   87   3.66 +/- 0.33  99.867% * 98.2033% (1.00 10.00   3.60  22.51) =  99.999%  kept
        T HB2   ASN   28 - HD1   TRP   87  13.17 +/- 0.92   0.054% *  0.8221% (0.84 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HD1   TRP   87  18.75 +/- 1.20   0.007% *  0.7881% (0.80 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD1   TRP   87  13.06 +/- 0.57   0.059% *  0.0219% (0.22  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD1   TRP   87  17.95 +/- 1.16   0.009% *  0.0715% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD1   TRP   87  21.10 +/- 1.47   0.003% *  0.0931% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.06 A, kept.
 
    Peak 226 (2.48, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 3.8, residual support = 70.4:
      O   HB3   TRP   87 - HD1   TRP   87   2.72 +/- 0.05  99.826% * 99.2543% (0.25  10.0   3.80  70.42) = 100.000%  kept
          HG3   MET   96 - HD1   TRP   87   8.12 +/- 0.86   0.173% *  0.2254% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD1   TRP   87  23.11 +/- 1.20   0.000% *  0.3187% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HD1   TRP   87  20.26 +/- 0.96   0.001% *  0.0788% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HD1   TRP   87  22.88 +/- 1.26   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 0.844, support = 2.99, residual support = 11.1:
        T QG2   VAL   83 - HD1   TRP   87   3.21 +/- 0.49  33.160% * 87.8477% (0.90 10.00   2.77   8.84) =  78.701%  kept
          QD1   ILE   89 - HD1   TRP   87   2.72 +/- 0.50  65.442% * 12.0464% (0.65  1.00   3.80  19.62) =  21.299%  kept
          QG2   VAL   43 - HD1   TRP   87   5.44 +/- 0.79   1.353% *  0.0133% (0.14  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HD1   TRP   87   9.43 +/- 0.76   0.045% *  0.0927% (0.95  1.00   0.02   1.82) =   0.000%
    Distance limit 3.49 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 = 0.94, support = 0.769, residual support = 19.4:
        T QG2   ILE   89 - HD1   TRP   87   4.05 +/- 0.13  85.714% * 86.6318% (0.95 10.00   0.75  19.62) =  97.513%  kept
          QG1   VAL   83 - HD1   TRP   87   5.68 +/- 0.58  14.236% * 13.3003% (0.73  1.00   1.50   8.84) =   2.487%  kept
          QD1   LEU  104 - HD1   TRP   87  14.41 +/- 1.21   0.049% *  0.0679% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 0.52, support = 0.725, residual support = 2.95:
          QD2   LEU   98 - HZ2   TRP   87   6.42 +/- 1.56  26.576% * 83.4864% (0.53   0.75   3.08) =  95.875%  kept
          QG2   VAL   41 - HZ2   TRP   87   7.63 +/- 1.69   8.300% *  3.0727% (0.73   0.02   0.02) =   1.102%  kept
          QD2   LEU   80 - HZ2   TRP   87   6.14 +/- 1.58  31.164% *  0.6529% (0.15   0.02   0.02) =   0.879%  kept
          QD1   LEU   73 - HZ2   TRP   87   7.24 +/- 1.64   9.544% *  1.8971% (0.45   0.02   0.02) =   0.782%  kept
          QD2   LEU  115 - HN    ILE   56   7.02 +/- 0.94  14.413% *  1.1790% (0.01   0.73   0.02) =   0.734%  kept
          QD1   LEU   80 - HZ2   TRP   87   8.14 +/- 1.63   5.765% *  2.2263% (0.53   0.02   0.02) =   0.555%  kept
          QD2   LEU   63 - HZ2   TRP   87  14.33 +/- 1.50   0.175% *  4.1477% (0.98   0.02   0.02) =   0.031%
          QD1   LEU   63 - HZ2   TRP   87  13.53 +/- 1.56   0.256% *  1.8971% (0.45   0.02   0.02) =   0.021%
          QD1   LEU   63 - HN    ILE   56   8.97 +/- 0.74   2.724% *  0.0823% (0.02   0.02   0.02) =   0.010%
          QD2   LEU   63 - HN    ILE   56  11.18 +/- 0.81   0.659% *  0.1800% (0.04   0.02   0.02) =   0.005%
          QD2   LEU  115 - HZ2   TRP   87  17.67 +/- 2.43   0.143% *  0.7411% (0.18   0.02   0.02) =   0.005%
          QD1   LEU   80 - HN    ILE   56  16.31 +/- 1.26   0.069% *  0.0966% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ILE   56  17.23 +/- 1.47   0.050% *  0.0966% (0.02   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE   56  16.45 +/- 1.00   0.059% *  0.0823% (0.02   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ILE   56  18.22 +/- 1.37   0.032% *  0.1334% (0.03   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE   56  16.12 +/- 0.87   0.071% *  0.0283% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.90 A violated in 1 structures by 0.08 A, kept.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.185, support = 0.674, residual support = 1.63:
          QD1   LEU   31 - HZ2   TRP   87   5.24 +/- 2.22  39.627% * 92.4210% (0.15   0.75   1.82) =  89.532%  kept
          QG2   VAL   43 - HZ2   TRP   87   4.71 +/- 1.35  59.769% *  7.1612% (0.45   0.02   0.02) =  10.464%  kept
          QG2   VAL   43 - HN    ILE   56  14.14 +/- 0.99   0.543% *  0.3108% (0.02   0.02   0.02) =   0.004%
          QD1   LEU   31 - HN    ILE   56  19.84 +/- 1.10   0.061% *  0.1070% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 1 structures by 0.32 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.702, support = 1.83, residual support = 68.3:
          HA    TRP   49 - HE3   TRP   49   4.56 +/- 0.62  85.879% * 49.3183% (0.69   1.90  74.54) =  91.080%  kept
          HA    CYS   50 - HE3   TRP   49   6.65 +/- 0.70   9.330% * 39.9979% (0.87   1.22   3.41) =   8.025%  kept
          HA    ALA   47 - HE3   TRP   49   8.14 +/- 1.41   4.590% *  9.0468% (0.76   0.31  15.99) =   0.893%  kept
          HA1   GLY  109 - HE3   TRP   49  14.05 +/- 1.69   0.127% *  0.6310% (0.84   0.02   0.02) =   0.002%
          HA    VAL  108 - HE3   TRP   49  15.39 +/- 1.50   0.068% *  0.4887% (0.65   0.02   0.02) =   0.001%
          HA    CYS   21 - HE3   TRP   49  23.48 +/- 1.89   0.005% *  0.3677% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HE3   TRP   49  30.79 +/- 1.61   0.001% *  0.1495% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.84 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 = 0.996, support = 0.02, residual support = 74.4:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  99.477% * 23.6887% (1.00   0.02  74.54) =  99.794%  kept
          QE    PHE   95 - HE3   TRP   49  14.74 +/- 2.17   0.480% *  8.9104% (0.38   0.02   0.02) =   0.181%
          HN    THR   23 - HE3   TRP   49  20.72 +/- 1.81   0.027% *  9.7604% (0.41   0.02   0.02) =   0.011%
          HD2   HIS   22 - HE3   TRP   49  25.85 +/- 1.96   0.007% * 23.2713% (0.98   0.02   0.02) =   0.007%
          HN    LEU   67 - HE3   TRP   49  25.84 +/- 2.39   0.008% * 19.0107% (0.80   0.02   0.02) =   0.007%
          HD21  ASN   35 - HE3   TRP   49  34.59 +/- 2.01   0.001% * 15.3585% (0.65   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 20 structures by 1.04 A, eliminated.
    Peak unassigned.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.809, support = 0.02, residual support = 67.1:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  84.487% * 16.7579% (0.84   0.02  74.54) =  90.035%  kept
          QE    PHE   95 - HH2   TRP   49  13.62 +/- 2.67   5.807% * 15.3326% (0.76   0.02   0.02) =   5.662%  kept
          QD    PHE   55 - HH2   TRP   49   9.61 +/- 0.72   9.502% *  6.8436% (0.34   0.02   0.02) =   4.135%  kept
          HN    THR   23 - HH2   TRP   49  21.72 +/- 1.99   0.083% * 16.0651% (0.80   0.02   0.02) =   0.085%
          HN    LEU   67 - HH2   TRP   49  25.22 +/- 2.96   0.032% * 20.0629% (1.00   0.02   0.02) =   0.040%
          HE3   TRP   27 - HH2   TRP   49  23.00 +/- 2.21   0.063% *  5.5782% (0.28   0.02   0.02) =   0.022%
          HD2   HIS   22 - HH2   TRP   49  26.96 +/- 2.14   0.021% * 13.7814% (0.69   0.02   0.02) =   0.019%
          HD21  ASN   35 - HH2   TRP   49  33.54 +/- 2.47   0.006% *  5.5782% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.96 A violated in 19 structures by 2.45 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.773, support = 3.52, residual support = 37.5:
          HA    TRP   49 - HD1   TRP   49   4.08 +/- 0.28  35.378% * 45.7331% (0.69   4.48  74.54) =  46.058%  kept
          HA    CYS   50 - HD1   TRP   49   4.15 +/- 1.12  38.893% * 39.2096% (0.87   3.04   3.41) =  43.413%  kept
          HA    ALA   47 - HD1   TRP   49   4.52 +/- 1.41  25.660% * 14.4128% (0.76   1.27  15.99) =  10.528%  kept
          HA1   GLY  109 - HD1   TRP   49  13.28 +/- 1.43   0.036% *  0.2484% (0.84   0.02   0.02) =   0.000%
          HA    VAL  108 - HD1   TRP   49  13.54 +/- 1.45   0.029% *  0.1924% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HD1   TRP   49  19.80 +/- 1.51   0.003% *  0.1448% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD1   TRP   49  27.91 +/- 1.47   0.000% *  0.0589% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 239 (9.86, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 3.86, residual support = 73.5:
          HN    PHE   95 - QD    PHE   95   3.45 +/- 0.58 100.000% *100.0000% (0.61   3.86  73.51) = 100.000%  kept
    Distance limit 4.44 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   2.71 +/- 0.46 100.000% *100.0000% (0.98 10.00   3.44  73.51) = 100.000%  kept
    Distance limit 4.47 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 = 2.0, residual support = 4.61:
          HA    ASP-  44 - QD    PHE   95   3.30 +/- 0.65  99.454% * 93.1915% (0.90   2.00   4.61) =  99.996%  kept
          HA    ILE  103 - QD    PHE   95  10.19 +/- 0.86   0.248% *  0.7546% (0.73   0.02   0.02) =   0.002%
          HB    THR   77 - QD    PHE   95  11.92 +/- 0.84   0.064% *  0.8679% (0.84   0.02   0.02) =   0.001%
          HA    LEU  104 - QD    PHE   95  11.36 +/- 0.91   0.125% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA    SER   85 - QD    PHE   95  14.06 +/- 0.76   0.023% *  0.8679% (0.84   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD    PHE   95  14.67 +/- 0.52   0.018% *  0.7546% (0.73   0.02   0.02) =   0.000%
          HA    THR   39 - QD    PHE   95  14.86 +/- 0.85   0.022% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD    PHE   95  13.86 +/- 0.96   0.027% *  0.2056% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   95  17.61 +/- 1.01   0.007% *  0.6722% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD    PHE   95  16.41 +/- 0.91   0.009% *  0.3545% (0.34   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   95  23.18 +/- 1.43   0.001% *  0.7941% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   95  25.81 +/- 1.48   0.001% *  0.9592% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.41 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   2.45 +/- 0.15 100.000% *100.0000% (0.97  10.0 10.00   3.00  73.51) = 100.000%  kept
    Distance limit 4.00 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   2.47 +/- 0.17  99.954% * 99.8712% (0.99  10.0 10.00   3.31  73.51) = 100.000%  kept
          HG2   GLN  116 - QD    PHE   95  10.27 +/- 1.54   0.046% *  0.1008% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - QD    PHE   95  19.29 +/- 0.66   0.000% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.83, residual support = 45.5:
        T HB    VAL  107 - QD    PHE   95   3.22 +/- 0.56  98.260% * 99.7392% (0.92 10.00   3.83  45.47) =  99.999%  kept
          HB3   PHE   45 - QD    PHE   95   7.28 +/- 0.82   1.470% *  0.0568% (0.53  1.00   0.02   1.89) =   0.001%
          QE    LYS+ 112 - QD    PHE   95  10.11 +/- 1.56   0.245% *  0.0568% (0.53  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   95  14.54 +/- 1.06   0.017% *  0.0568% (0.53  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QD    PHE   95  17.40 +/- 0.86   0.007% *  0.0902% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 245 (1.36, 7.02, 132.19 ppm):
    16 chemical-shift based assignments, quality = 0.767, support = 0.71, residual support = 4.17:
          HB3   ASP-  44 - QD    PHE   95   3.32 +/- 1.06  71.037% * 27.9368% (0.76   0.75   4.61) =  82.054%  kept
          HB2   LEU   63 - QD    PHE   95   5.43 +/- 0.79   8.793% * 23.6480% (0.65   0.75   4.34) =   8.598%  kept
          HB3   PRO   93 - QD    PHE   95   4.77 +/- 0.90  16.059% * 11.5599% (1.00   0.24   0.02) =   7.675%  kept
          HB    VAL   42 - QD    PHE   95   6.84 +/- 0.49   1.958% * 11.2828% (0.31   0.75   1.43) =   0.914%  kept
          HG3   LYS+ 106 - QD    PHE   95   8.04 +/- 0.73   0.886% * 19.8203% (0.61   0.67   0.02) =   0.726%  kept
          HG    LEU   98 - QD    PHE   95   8.96 +/- 1.16   0.446% *  0.9408% (0.97   0.02   0.02) =   0.017%
          QB    ALA   84 - QD    PHE   95  10.17 +/- 0.73   0.114% *  0.9727% (1.00   0.02   0.02) =   0.005%
          HB3   LEU   73 - QD    PHE   95   8.79 +/- 0.96   0.254% *  0.3659% (0.38   0.02   0.02) =   0.004%
          HG2   LYS+ 111 - QD    PHE   95  10.10 +/- 1.33   0.227% *  0.3009% (0.31   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - QD    PHE   95  11.48 +/- 1.23   0.071% *  0.4745% (0.49   0.02   0.02) =   0.001%
          QB    ALA  124 - QD    PHE   95  14.03 +/- 0.94   0.026% *  0.8742% (0.90   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QD    PHE   95  11.72 +/- 0.99   0.060% *  0.3009% (0.31   0.02   0.02) =   0.001%
          HB3   LEU   80 - QD    PHE   95  12.60 +/- 0.84   0.033% *  0.5129% (0.53   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    PHE   95  15.08 +/- 0.87   0.016% *  0.3659% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   95  15.72 +/- 1.23   0.013% *  0.4008% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD    PHE   95  16.85 +/- 0.70   0.007% *  0.2431% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 246 (1.15, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.85, residual support = 45.5:
        T QG2   VAL  107 - QD    PHE   95   3.12 +/- 0.72  98.301% * 99.7831% (0.99 10.00   3.85  45.47) =  99.999%  kept
          HG13  ILE  103 - QD    PHE   95   9.18 +/- 1.11   1.518% *  0.0806% (0.80  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QD    PHE   95  11.31 +/- 1.38   0.115% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    PHE   95  11.56 +/- 0.57   0.067% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.04 A, kept.
 
    Peak 247 (0.59, 7.02, 132.19 ppm):
    7 chemical-shift based assignments, quality = 0.911, support = 1.28, residual support = 3.24:
          QD1   LEU   63 - QD    PHE   95   3.38 +/- 1.06  74.217% * 33.7017% (0.90  1.00   1.65   4.34) =  72.011%  kept
        T QD2   LEU  115 - QD    PHE   95   6.29 +/- 1.91  15.623% * 58.1631% (0.99 10.00   0.26   0.14) =  26.161%  kept
          QD2   LEU   63 - QD    PHE   95   4.88 +/- 1.04   9.388% *  6.7316% (0.31  1.00   0.96   4.34) =   1.819%  kept
          QD1   LEU   73 - QD    PHE   95   8.31 +/- 0.45   0.357% *  0.4077% (0.90  1.00   0.02   0.02) =   0.004%
          QD1   LEU  104 - QD    PHE   95   9.27 +/- 1.08   0.257% *  0.3797% (0.84  1.00   0.02   0.02) =   0.003%
          QD2   LEU   80 - QD    PHE   95  10.21 +/- 0.60   0.110% *  0.4456% (0.98  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD    PHE   95  11.93 +/- 0.93   0.049% *  0.1706% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 0.646, support = 0.751, residual support = 1.43:
        T QG1   VAL   42 - QD    PHE   95   3.86 +/- 0.40  93.892% * 87.1538% (0.65 10.00   0.75   1.43) =  99.384%  kept
          QB    ALA   64 - QD    PHE   95   6.66 +/- 0.86   4.772% *  9.9897% (0.53  1.00   1.06   0.14) =   0.579%  kept
        T QB    ALA   47 - QD    PHE   95   8.77 +/- 0.73   1.109% *  2.7456% (0.76 10.00   0.02   0.02) =   0.037%
          HG2   LYS+ 112 - QD    PHE   95  11.27 +/- 1.55   0.226% *  0.1109% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.06 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.719, support = 4.1, residual support = 15.0:
          HA    ILE  119 - HD2   HIS  122   2.62 +/- 0.48  94.683% * 53.6563% (0.73   4.08  15.52) =  95.461%  kept
          HA    THR  118 - HD2   HIS  122   4.69 +/- 0.25   5.305% * 45.5298% (0.57   4.44   2.94) =   4.539%  kept
          HD3   PRO   58 - HD2   HIS  122  13.18 +/- 1.25   0.008% *  0.1117% (0.31   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD2   HIS  122  16.06 +/- 0.92   0.002% *  0.1007% (0.28   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   HIS  122  19.09 +/- 0.76   0.001% *  0.2050% (0.57   0.02   0.02) =   0.000%
          HA    ALA   84 - HD2   HIS  122  20.29 +/- 0.96   0.001% *  0.1623% (0.45   0.02   0.02) =   0.000%
          HB2   TRP   49 - HD2   HIS  122  25.15 +/- 1.93   0.000% *  0.2342% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 3.49, residual support = 68.7:
      O T HB2   HIS  122 - HD2   HIS  122   3.61 +/- 0.43  99.914% * 99.7225% (0.49  10.0 10.00   3.49  68.74) = 100.000%  kept
          HA    LYS+ 112 - HD2   HIS  122  12.57 +/- 0.65   0.071% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HD2   HIS  122  16.57 +/- 1.15   0.014% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HD2   HIS  122  25.67 +/- 0.96   0.001% *  0.0699% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (2.76, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.956, support = 3.95, residual support = 68.2:
      O T HB3   HIS  122 - HD2   HIS  122   3.06 +/- 0.49  84.171% * 85.4789% (0.97  10.0 10.00   3.92  68.74) =  96.919%  kept
          QE    LYS+ 121 - HD2   HIS  122   5.40 +/- 1.63  15.827% * 14.4513% (0.69   1.0  1.00   4.75  50.89) =   3.081%  kept
          HG2   GLN   30 - HD2   HIS  122  19.91 +/- 1.41   0.002% *  0.0197% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   HIS  122  25.71 +/- 1.12   0.000% *  0.0501% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 252 (1.88, 6.83, 120.22 ppm):
    13 chemical-shift based assignments, quality = 0.493, support = 0.0957, residual support = 0.0198:
          HB3   ASP- 105 - HD2   HIS  122   5.61 +/- 1.70  85.930% *  2.4786% (0.34   0.02   0.02) =  49.941%  kept
          QB    LYS+ 106 - HD2   HIS  122   9.57 +/- 1.09   3.558% * 48.6517% (0.65   0.21   0.02) =  40.586%  kept
          HB    ILE   56 - HD2   HIS  122  12.99 +/- 1.37   2.163% *  7.1226% (0.98   0.02   0.02) =   3.612%  kept
          HB3   PRO   58 - HD2   HIS  122  13.72 +/- 1.64   3.152% *  4.4073% (0.61   0.02   0.02) =   3.257%  kept
          HG3   PRO   68 - HD2   HIS  122  10.74 +/- 2.40   4.268% *  1.8119% (0.25   0.02   0.02) =   1.813%  kept
          HB    ILE  103 - HD2   HIS  122  13.57 +/- 1.83   0.428% *  2.0203% (0.28   0.02   0.02) =   0.203%
          HB2   MET   92 - HD2   HIS  122  18.41 +/- 1.18   0.137% *  5.8185% (0.80   0.02   0.02) =   0.187%
          HB3   LYS+  38 - HD2   HIS  122  18.33 +/- 2.21   0.080% *  7.2503% (1.00   0.02   0.02) =   0.136%
          HB3   GLN   30 - HD2   HIS  122  18.97 +/- 1.68   0.069% *  6.7078% (0.92   0.02   0.02) =   0.108%
          QB    LYS+  33 - HD2   HIS  122  18.92 +/- 1.30   0.075% *  3.2578% (0.45   0.02   0.02) =   0.057%
          HG2   ARG+  54 - HD2   HIS  122  20.59 +/- 1.28   0.081% *  2.2428% (0.31   0.02   0.02) =   0.043%
          HB3   GLN   90 - HD2   HIS  122  22.06 +/- 1.31   0.039% *  3.8230% (0.53   0.02   0.02) =   0.035%
          QB    LYS+  81 - HD2   HIS  122  23.96 +/- 0.82   0.021% *  4.4073% (0.61   0.02   0.02) =   0.021%
    Distance limit 4.54 A violated in 10 structures by 1.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 253 (1.67, 6.83, 120.22 ppm):
    11 chemical-shift based assignments, quality = 0.916, support = 5.88, residual support = 50.5:
          HB2   LYS+ 121 - HD2   HIS  122   3.98 +/- 0.54  95.319% * 69.2786% (0.92   5.91  50.89) =  98.180%  kept
          HB2   LEU  123 - HD2   HIS  122   7.03 +/- 0.62   4.164% * 29.3850% (0.53   4.40  31.06) =   1.819%  kept
          QD    LYS+  65 - HD2   HIS  122  12.62 +/- 1.86   0.205% *  0.2403% (0.95   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HD2   HIS  122  15.43 +/- 1.93   0.040% *  0.1942% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   HIS  122  15.11 +/- 1.42   0.049% *  0.1438% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   HIS  122  17.32 +/- 2.07   0.019% *  0.2535% (1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   HIS  122  13.29 +/- 1.00   0.112% *  0.0392% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   HIS  122  15.88 +/- 1.27   0.035% *  0.0954% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HD2   HIS  122  15.57 +/- 1.09   0.033% *  0.0706% (0.28   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   HIS  122  22.13 +/- 1.14   0.004% *  0.2490% (0.98   0.02   0.02) =   0.000%
          HB3   MET   92 - HD2   HIS  122  17.10 +/- 1.17   0.020% *  0.0503% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 254 (1.53, 6.83, 120.22 ppm):
    9 chemical-shift based assignments, quality = 0.793, support = 4.91, residual support = 50.9:
          HB3   LYS+ 121 - HD2   HIS  122   4.83 +/- 0.98  43.533% * 71.4080% (1.00   4.74  50.89) =  68.807%  kept
          HD2   LYS+ 121 - HD2   HIS  122   4.45 +/- 1.72  51.694% * 27.2401% (0.34   5.29  50.89) =  31.169%  kept
          QD    LYS+  66 - HD2   HIS  122   8.32 +/- 2.44   3.957% *  0.2193% (0.73   0.02   0.02) =   0.019%
          HG    LEU  104 - HD2   HIS  122   9.98 +/- 2.14   0.570% *  0.3013% (1.00   0.02   0.02) =   0.004%
          HB3   LYS+ 111 - HD2   HIS  122  13.10 +/- 1.18   0.067% *  0.2914% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD2   HIS  122  12.72 +/- 2.09   0.144% *  0.0840% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   HIS  122  16.19 +/- 1.23   0.022% *  0.2857% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HD2   HIS  122  20.24 +/- 2.43   0.006% *  0.1030% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   HIS  122  18.68 +/- 0.92   0.007% *  0.0672% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.03 A, kept.
 
    Peak 255 (0.98, 6.83, 120.22 ppm):
    8 chemical-shift based assignments, quality = 0.195, support = 3.25, residual support = 15.1:
          QG2   ILE  119 - HD2   HIS  122   4.20 +/- 0.46  53.092% * 74.0852% (0.18  1.00   3.34  15.52) =  97.124%  kept
          QD1   LEU   67 - HD2   HIS  122   5.82 +/- 3.06  39.618% *  2.5249% (1.00  1.00   0.02   0.73) =   2.470%  kept
          QD2   LEU   40 - HD2   HIS  122   7.90 +/- 1.90   5.036% *  2.5305% (1.00  1.00   0.02   0.02) =   0.315%
          QG2   ILE  103 - HD2   HIS  122   9.70 +/- 1.51   0.851% *  2.4421% (0.97  1.00   0.02   0.02) =   0.051%
          QD2   LEU   71 - HD2   HIS  122  11.96 +/- 2.38   1.192% *  1.0403% (0.41  1.00   0.02   0.02) =   0.031%
        T HB    VAL   75 - HD2   HIS  122  17.31 +/- 1.35   0.015% * 14.3265% (0.57 10.00   0.02   0.02) =   0.005%
          QD1   ILE  103 - HD2   HIS  122  11.72 +/- 1.57   0.183% *  0.7810% (0.31  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  74 - HD2   HIS  122  17.19 +/- 1.27   0.012% *  2.2694% (0.90  1.00   0.02   0.02) =   0.001%
    Distance limit 4.48 A violated in 0 structures by 0.04 A, kept.
 
    Peak 257 (0.84, 6.83, 120.22 ppm):
    6 chemical-shift based assignments, quality = 0.489, support = 4.57, residual support = 30.8:
          QD1   LEU  123 - HD2   HIS  122   4.94 +/- 0.79  65.877% * 51.4934% (0.49   4.65  31.06) =  92.996%  kept
          QD2   LEU  123 - HD2   HIS  122   7.41 +/- 0.46   5.013% * 44.1350% (0.49   3.99  31.06) =   6.066%  kept
          HB3   LEU  104 - HD2   HIS  122   8.35 +/- 2.01   7.813% *  3.9336% (0.84   0.21   0.02) =   0.843%  kept
          QD1   LEU   71 - HD2   HIS  122  11.38 +/- 3.05   8.384% *  0.2215% (0.49   0.02   0.02) =   0.051%
          QG1   VAL   70 - HD2   HIS  122   7.34 +/- 1.76  12.740% *  0.1265% (0.28   0.02   0.02) =   0.044%
          QG1   VAL   18 - HD2   HIS  122  13.43 +/- 1.07   0.173% *  0.0900% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.19 A, kept.
 
    Peak 258 (0.24, 6.83, 120.22 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.983, residual support = 2.94:
        T QG2   THR  118 - HD2   HIS  122   3.34 +/- 0.13 100.000% *100.0000% (0.69 10.00   0.98   2.94) = 100.000%  kept
    Distance limit 3.24 A violated in 0 structures by 0.11 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 = 0.907, support = 0.749, residual support = 13.6:
          HB3   LEU   73 - HE3   TRP   27   4.67 +/- 0.74  69.890% * 48.1794% (0.94   0.75  14.34) =  94.489%  kept
          HG3   LYS+  65 - HN    LEU   67   6.28 +/- 0.54  14.739% *  9.1697% (0.15   0.89   0.02) =   3.792%  kept
          HB    VAL   42 - HE3   TRP   27   8.71 +/- 0.97   1.781% * 31.0691% (0.97   0.47   0.02) =   1.552%  kept
          QB    LEU   98 - HE3   TRP   27   8.89 +/- 1.07   2.257% *  0.7689% (0.56   0.02   0.02) =   0.049%
          HG3   LYS+  33 - HE3   TRP   27   9.88 +/- 1.92   1.250% *  1.3552% (0.99   0.02   0.02) =   0.048%
          HB2   LEU   80 - HE3   TRP   27   8.79 +/- 0.99   3.072% *  0.2379% (0.17   0.02   8.95) =   0.021%
          HB3   LYS+  74 - HE3   TRP   27   9.39 +/- 0.64   1.073% *  0.4192% (0.31   0.02   0.02) =   0.013%
          HG    LEU   98 - HE3   TRP   27   9.11 +/- 1.40   2.166% *  0.1838% (0.13   0.02   0.02) =   0.011%
          HB    VAL   42 - HN    LEU   67   8.86 +/- 0.31   1.652% *  0.2071% (0.15   0.02   0.02) =   0.010%
          QB    ALA   84 - HE3   TRP   27  10.49 +/- 0.90   0.920% *  0.2688% (0.20   0.02   0.02) =   0.007%
          HG3   LYS+ 106 - HE3   TRP   27  14.94 +/- 0.91   0.080% *  1.0380% (0.76   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HE3   TRP   27  16.25 +/- 1.76   0.063% *  1.2538% (0.91   0.02   0.02) =   0.002%
          QB    ALA   12 - HE3   TRP   27  17.75 +/- 1.98   0.027% *  1.1344% (0.83   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   67  13.35 +/- 0.73   0.154% *  0.1999% (0.15   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HE3   TRP   27  18.87 +/- 1.47   0.019% *  1.3313% (0.97   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    LEU   67  12.81 +/- 2.17   0.272% *  0.0588% (0.04   0.02   0.02) =   0.000%
          HB3   PRO   93 - HE3   TRP   27  16.36 +/- 0.87   0.042% *  0.3024% (0.22   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   67  14.03 +/- 0.62   0.100% *  0.1196% (0.09   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   67  15.99 +/- 1.69   0.059% *  0.1765% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HE3   TRP   27  19.26 +/- 1.81   0.019% *  0.3776% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   67  14.43 +/- 1.13   0.109% *  0.0652% (0.05   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   67  16.41 +/- 1.44   0.042% *  0.1615% (0.12   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   67  17.76 +/- 1.48   0.029% *  0.2109% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   67  18.82 +/- 1.46   0.024% *  0.1833% (0.13   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HE3   TRP   27  25.72 +/- 1.39   0.003% *  1.1781% (0.86   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   67  15.68 +/- 0.84   0.057% *  0.0471% (0.03   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   67  14.98 +/- 0.75   0.073% *  0.0286% (0.02   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   67  21.07 +/- 1.62   0.010% *  0.1951% (0.14   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   67  19.65 +/- 0.57   0.013% *  0.0418% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   67  22.21 +/- 0.97   0.007% *  0.0370% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.13 A, kept.
 
    Peaks:
      selected                               :    240
      with diagonal assignment               :     32
      without assignment possibility         :      8
      with one assignment possibility        :     20
      with multiple assignment possibilities :    180
      with given assignment possibilities    :      0
      with unique volume contribution        :    112
      with multiple volume contributions     :     88
      eliminated by violation filter         :     10
 
    Peaks:
      selected                               :    240
      without assignment                     :     24
      with assignment                        :    216
      with unique assignment                 :    138
      with multiple assignment               :     78
      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             :    184
 
    Atoms with eliminated volume contribution > 2.5:
    QE    PHE   95       3.4