- 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 = 43.6:
      O   HA    MET   11 - HN    MET   11   2.82 +/- 0.06  96.591% * 99.3074% (0.95  10.0   3.37  43.63) =  99.997%  kept
          HA    ALA   12 - HN    MET   11   5.04 +/- 0.41   3.364% *  0.0762% (0.73   1.0   0.02  12.20) =   0.003%
          HA    GLU-  14 - HN    MET   11  10.97 +/- 1.21   0.042% *  0.0637% (0.61   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  21.53 +/- 3.66   0.003% *  0.0324% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  26.78 +/- 3.23   0.000% *  0.0969% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  29.07 +/- 4.74   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  32.33 +/- 4.03   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  30.60 +/- 3.22   0.000% *  0.0802% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  34.85 +/- 3.82   0.000% *  0.0721% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  36.55 +/- 3.75   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  32.55 +/- 3.27   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  35.91 +/- 4.96   0.000% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 270 (4.31, 8.37, 125.10 ppm):
    9 chemical-shift based assignments, quality = 0.543, support = 2.88, residual support = 12.3:
      O   HA    ALA   12 - HN    ALA   12   2.76 +/- 0.20  36.808% * 68.6590% (0.71  10.0   2.38  12.32) =  56.323%  kept
      O   HA    MET   11 - HN    ALA   12   2.51 +/- 0.13  63.104% * 31.0568% (0.32  10.0   3.51  12.20) =  43.677%  kept
          HA    GLU-  14 - HN    ALA   12   8.01 +/- 0.79   0.088% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  24.24 +/- 2.27   0.000% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   12  30.08 +/- 2.93   0.000% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  32.78 +/- 3.13   0.000% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  28.16 +/- 2.85   0.000% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  30.24 +/- 2.82   0.000% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  34.49 +/- 2.87   0.000% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 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   2.46 +/- 0.32  97.179% * 97.9821% (0.14  10.0   1.71   5.18) =  99.995%  kept
          HA    GLU-  14 - HN    SER   13   4.63 +/- 0.20   2.820% *  0.1675% (0.20   1.0   0.02   6.66) =   0.005%
          HA    PHE   59 - HN    SER   13  22.71 +/- 2.14   0.000% *  0.4452% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    SER   13  28.66 +/- 2.52   0.000% *  0.4452% (0.53   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    SER   13  31.52 +/- 2.30   0.000% *  0.8295% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    SER   13  31.48 +/- 2.44   0.000% *  0.1306% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 272 (3.87, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.06, residual support = 7.3:
      O   QB    SER   13 - HN    SER   13   2.97 +/- 0.21  99.873% * 99.5044% (0.87  10.0   2.06   7.30) = 100.000%  kept
          HB3   SER   37 - HN    SER   13  15.44 +/- 3.32   0.082% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   13  16.01 +/- 3.08   0.045% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   13  27.02 +/- 2.40   0.000% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  28.38 +/- 2.59   0.000% *  0.0649% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  31.04 +/- 2.15   0.000% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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   2.56 +/- 0.08  99.685% * 99.5491% (0.81  10.0   5.47  50.10) = 100.000%  kept
          HA    GLU-  15 - HN    VAL   18   7.10 +/- 0.25   0.228% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18   9.23 +/- 0.76   0.055% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    VAL   18  12.11 +/- 0.90   0.010% *  0.1100% (0.89   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   18  13.05 +/- 1.49   0.008% *  0.0911% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   18  12.75 +/- 1.30   0.011% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  16.47 +/- 1.42   0.002% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   18  19.18 +/- 1.15   0.001% *  0.0995% (0.81   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  21.71 +/- 1.73   0.000% *  0.0236% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 76.5:
      O   HA    VAL   18 - HN    VAL   18   2.88 +/- 0.02  99.357% * 98.8751% (0.36  10.0   5.49  76.52) =  99.999%  kept
          HA1   GLY   16 - HN    VAL   18   6.73 +/- 0.13   0.609% *  0.1181% (0.43   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    VAL   18  11.90 +/- 0.97   0.023% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   18  16.25 +/- 1.40   0.004% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   18  16.64 +/- 1.15   0.003% *  0.2110% (0.77   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   18  17.51 +/- 1.25   0.002% *  0.1492% (0.55   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   18  18.08 +/- 0.98   0.002% *  0.1083% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   18  22.48 +/- 1.34   0.000% *  0.0813% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 6.66:
      O   HA    SER   13 - HN    GLU-  14   2.47 +/- 0.26  97.132% * 99.4257% (0.67  10.0   2.10   6.66) =  99.997%  kept
          HA    GLU-  15 - HN    GLU-  14   4.87 +/- 0.47   2.817% *  0.0994% (0.67   1.0   0.02   1.18) =   0.003%
          HA    GLN   17 - HN    GLU-  14   9.81 +/- 0.84   0.044% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLU-  14  15.83 +/- 3.25   0.003% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLU-  14  18.32 +/- 2.69   0.001% *  0.0861% (0.58   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  14  18.88 +/- 1.45   0.001% *  0.0975% (0.66   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  22.50 +/- 1.81   0.000% *  0.0825% (0.56   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  18.05 +/- 1.68   0.001% *  0.0204% (0.14   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  21.85 +/- 3.45   0.000% *  0.0229% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  23.75 +/- 1.55   0.000% *  0.0159% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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   2.42 +/- 0.14  99.982% * 86.2160% (0.13   3.44  16.48) =  99.999%  kept
          HN    ALA   61 - HN    GLY   16  11.59 +/- 1.17   0.011% *  3.6721% (0.97   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLY   16  13.62 +/- 2.18   0.006% *  0.5716% (0.15   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLY   16  16.66 +/- 0.97   0.001% *  2.5449% (0.67   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLY   16  24.01 +/- 1.90   0.000% *  3.4200% (0.90   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLY   16  25.87 +/- 1.33   0.000% *  3.5754% (0.94   0.02   0.02) =   0.000%
    Distance limit 4.30 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   2.42 +/- 0.14 100.000% * 99.8536% (1.00 10.00   3.44  16.48) = 100.000%  kept
          HN    SER  117 - HN    GLN   17  20.52 +/- 1.42   0.000% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  24.00 +/- 1.29   0.000% *  0.0567% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.479, support = 2.07, residual support = 6.11:
      O   HA    GLU-  15 - HN    GLY   16   2.63 +/- 0.27  97.147% * 76.7350% (0.47  10.0   2.07   6.03) =  99.185%  kept
          HA    GLN   17 - HN    GLY   16   4.88 +/- 0.09   2.705% * 22.6279% (0.97   1.0   2.90  16.48) =   0.815%  kept
          HA    SER   13 - HN    GLY   16   8.96 +/- 0.66   0.117% *  0.0767% (0.47   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLY   16  13.40 +/- 1.39   0.010% *  0.1083% (0.67   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLY   16  14.99 +/- 2.24   0.005% *  0.1563% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  13.85 +/- 1.32   0.006% *  0.0707% (0.44   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLY   16  14.38 +/- 2.06   0.008% *  0.0487% (0.30   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLY   16  18.81 +/- 1.22   0.001% *  0.1521% (0.94   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  21.68 +/- 1.64   0.000% *  0.0243% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 279 (4.00, 8.66, 110.73 ppm):
    10 chemical-shift based assignments, quality = 0.856, support = 0.0199, residual support = 0.0199:
          HA    VAL   18 - HN    GLY   16   6.55 +/- 0.15  83.343% * 12.6997% (0.90   0.02   0.02) =  90.664%  kept
          HA    VAL   70 - HN    GLY   16   9.58 +/- 1.84  15.056% *  6.1679% (0.44   0.02   0.02) =   7.955%  kept
          HA    LYS+  33 - HN    GLY   16  14.84 +/- 2.10   0.807% * 10.5138% (0.75   0.02   0.02) =   0.727%  kept
          HA    GLU-  29 - HN    GLY   16  17.80 +/- 1.68   0.236% * 12.3380% (0.87   0.02   0.02) =   0.249%
          HA    GLN   32 - HN    GLY   16  18.19 +/- 1.82   0.206% *  9.4500% (0.67   0.02   0.02) =   0.167%
          HA    GLN  116 - HN    GLY   16  18.56 +/- 2.21   0.218% *  6.1679% (0.44   0.02   0.02) =   0.115%
          HA    SER   48 - HN    GLY   16  22.86 +/- 2.14   0.057% * 12.6997% (0.90   0.02   0.02) =   0.063%
          HB2   SER   82 - HN    GLY   16  26.01 +/- 1.88   0.023% * 13.2768% (0.94   0.02   0.02) =   0.027%
          HD2   PRO   52 - HN    GLY   16  23.83 +/- 1.46   0.041% *  6.6964% (0.47   0.02   0.02) =   0.023%
          HA    ALA   88 - HN    GLY   16  28.57 +/- 1.14   0.012% *  9.9899% (0.71   0.02   0.02) =   0.011%
    Distance limit 3.43 A violated in 20 structures by 2.92 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 = 82.1:
      O   HA    GLN   17 - HN    GLN   17   2.88 +/- 0.01  61.189% * 95.5860% (0.99  10.0   5.17  84.28) =  97.405%  kept
          HA    GLU-  15 - HN    GLN   17   3.12 +/- 0.19  38.717% *  4.0243% (0.49   1.0   1.71   0.02) =   2.595%  kept
          HA    SER   13 - HN    GLN   17   9.51 +/- 0.83   0.066% *  0.0469% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLN   17  13.08 +/- 1.12   0.008% *  0.0662% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  12.29 +/- 0.98   0.012% *  0.0432% (0.45   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLN   17  16.52 +/- 1.79   0.002% *  0.0956% (0.99   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLN   17  16.94 +/- 1.32   0.002% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLN   17  15.13 +/- 1.62   0.004% *  0.0298% (0.31   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  20.02 +/- 1.53   0.001% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 84.3:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00 100.000% * 99.1229% (0.70  10.0 10.00   1.00  84.28) = 100.000%  kept
        T HE21  GLN   17 - HE22  GLN   32  23.03 +/- 2.57   0.000% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   17  22.38 +/- 3.33   0.000% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   17  21.79 +/- 2.41   0.000% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  21.91 +/- 2.17   0.000% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  31.19 +/- 5.93   0.000% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  29.96 +/- 4.33   0.000% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  31.26 +/- 2.79   0.000% *  0.0078% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 282 (6.82, 7.45, 112.50 ppm):
    5 chemical-shift based assignments, quality = 0.633, support = 1.0, residual support = 84.3:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00 100.000% * 99.4952% (0.63  10.0   1.00  84.28) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN   17  18.68 +/- 1.82   0.000% *  0.1524% (0.48   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  22.01 +/- 3.14   0.000% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  23.03 +/- 2.57   0.000% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  30.41 +/- 3.03   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 = 0.245, support = 3.29, residual support = 18.3:
      O   HA1   GLY   16 - HN    GLN   17   3.24 +/- 0.05  90.805% * 63.1941% (0.22  10.0   3.26  16.48) =  94.712%  kept
          HA    VAL   18 - HN    GLN   17   4.77 +/- 0.14   9.040% * 35.4341% (0.65   1.0   3.86  50.10) =   5.287%  kept
          HA    VAL   70 - HN    GLN   17  10.51 +/- 1.48   0.118% *  0.2832% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLN   17  14.04 +/- 1.79   0.018% *  0.1493% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN   17  15.65 +/- 1.69   0.009% *  0.2371% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   17  18.03 +/- 1.79   0.004% *  0.2832% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN   17  17.68 +/- 1.30   0.004% *  0.1950% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   17  20.73 +/- 2.26   0.002% *  0.0632% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   17  24.75 +/- 1.64   0.001% *  0.1607% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 4.0:
          HA    LEU   73 - HN    ILE   19   3.33 +/- 0.97 100.000% *100.0000% (0.87   2.00   4.00) = 100.000%  kept
    Distance limit 3.61 A violated in 1 structures by 0.23 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.52, residual support = 20.6:
      O   HA    VAL   18 - HN    ILE   19   2.24 +/- 0.04  99.952% * 99.2246% (0.65  10.0   4.52  20.61) = 100.000%  kept
          HA    VAL   70 - HN    ILE   19  10.71 +/- 0.92   0.010% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    ILE   19   8.66 +/- 0.36   0.031% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   19  13.96 +/- 1.02   0.002% *  0.1281% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   19  13.82 +/- 0.97   0.002% *  0.1054% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    ILE   19  14.22 +/- 0.84   0.002% *  0.0807% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   19  17.97 +/- 1.64   0.000% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  16.61 +/- 1.83   0.001% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  19.07 +/- 1.39   0.000% *  0.0868% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 5.86, residual support = 128.8:
      O   HA    ILE   19 - HN    ILE   19   2.92 +/- 0.02  99.941% * 99.7071% (0.87  10.0   5.86 128.78) = 100.000%  kept
          HA    THR   26 - HN    ILE   19  11.18 +/- 1.13   0.045% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ILE   19  15.41 +/- 1.12   0.005% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ILE   19  14.61 +/- 0.79   0.007% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ILE   19  21.51 +/- 1.19   0.001% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  20.38 +/- 1.02   0.001% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 291 (4.17, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.1, residual support = 19.7:
      O   HA    ILE   19 - HN    ALA   20   2.25 +/- 0.06  99.980% * 99.7374% (0.97  10.0   5.10  19.65) = 100.000%  kept
          HA    THR   26 - HN    ALA   20   9.96 +/- 1.04   0.016% *  0.0388% (0.38   1.0   0.02   0.13) =   0.000%
          HA    GLU-  25 - HN    ALA   20  13.28 +/- 0.64   0.002% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ALA   20  16.39 +/- 1.99   0.001% *  0.1013% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  19.50 +/- 1.54   0.000% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  24.61 +/- 0.93   0.000% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 3.01, residual support = 14.8:
      O   HA    ALA   20 - HN    ALA   20   2.88 +/- 0.03  99.959% * 99.9455% (0.97  10.0   3.01  14.83) = 100.000%  kept
          HA    LEU   71 - HN    ALA   20  10.82 +/- 0.96   0.041% *  0.0545% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (8.46, 7.93, 121.01 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 4.16, residual support = 13.1:
        T HN    LYS+  74 - HN    CYS   21   2.89 +/- 1.06  99.313% * 99.2410% (0.76 10.00   4.16  13.13) = 100.000%  kept
          HN    THR   46 - HN    CYS   21   9.88 +/- 1.06   0.250% *  0.1299% (1.00  1.00   0.02   0.02) =   0.000%
        T HN    LYS+  74 - HN    ILE  119  17.73 +/- 1.27   0.012% *  0.3136% (0.24 10.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    ILE  119  10.32 +/- 0.65   0.368% *  0.0102% (0.08  1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    CYS   21  17.19 +/- 1.95   0.010% *  0.1228% (0.95  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    CYS   21  19.88 +/- 3.83   0.016% *  0.0534% (0.41  1.00   0.02   0.02) =   0.000%
          HN    THR   46 - HN    ILE  119  16.88 +/- 1.05   0.015% *  0.0410% (0.32  1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    ILE  119  17.57 +/- 1.06   0.014% *  0.0388% (0.30  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    CYS   21  23.22 +/- 1.51   0.002% *  0.0324% (0.25  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE  119  31.07 +/- 3.41   0.001% *  0.0169% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 2 structures by 0.17 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.29, residual support = 15.5:
      O   HA    ALA   20 - HN    CYS   21   2.24 +/- 0.04  99.988% * 99.8901% (0.95  10.0   3.29  15.46) = 100.000%  kept
          HA    LEU   71 - HN    CYS   21  10.71 +/- 0.94   0.010% *  0.0235% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  19.35 +/- 1.52   0.000% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  15.56 +/- 1.95   0.001% *  0.0074% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  19.85 +/- 0.90   0.000% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  18.80 +/- 2.43   0.000% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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  99.990% * 99.8043% (0.83  10.0   3.84  41.03) = 100.000%  kept
          HA    SER  117 - HN    ASP-  62  13.42 +/- 0.84   0.009% *  0.0751% (0.63   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ASP-  62  19.69 +/- 0.99   0.001% *  0.1025% (0.85   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ASP-  62  26.12 +/- 0.88   0.000% *  0.0181% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (4.37, 7.86, 120.86 ppm):
    7 chemical-shift based assignments, quality = 0.523, support = 1.5, residual support = 6.49:
          HA    PHE   59 - HN    ASP-  62   3.63 +/- 0.35  98.490% * 92.4913% (0.52   1.50   6.49) =  99.979%  kept
          HA    ILE   56 - HN    ASP-  62   7.70 +/- 0.52   1.364% *  1.2332% (0.52   0.02   0.02) =   0.018%
          HA    ASP- 113 - HN    ASP-  62  13.46 +/- 1.27   0.062% *  2.0287% (0.86   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ASP-  62  12.60 +/- 1.35   0.076% *  0.9897% (0.42   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    ASP-  62  19.09 +/- 1.21   0.006% *  1.6281% (0.69   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP-  62  23.57 +/- 0.90   0.001% *  1.3153% (0.56   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP-  62  23.13 +/- 0.90   0.002% *  0.3137% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.07 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 3.39, residual support = 21.1:
          HN    THR   23 - HN    HIS   22   3.39 +/- 0.76  99.134% * 97.3212% (0.69   3.39  21.07) =  99.993%  kept
          HE3   TRP   27 - HN    HIS   22   8.42 +/- 1.07   0.787% *  0.8338% (1.00   0.02   0.02) =   0.007%
          QE    PHE   95 - HN    HIS   22  15.66 +/- 1.80   0.018% *  0.6068% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    HIS   22  12.48 +/- 1.32   0.053% *  0.1464% (0.18   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    HIS   22  21.92 +/- 1.60   0.002% *  0.8338% (1.00   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    HIS   22  18.77 +/- 0.95   0.006% *  0.2579% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 298 (4.62, 9.10, 120.75 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 0.335, residual support = 5.16:
          HA    ALA   20 - HN    HIS   22   4.76 +/- 0.10  99.733% * 96.5684% (0.95   0.34   5.17) =  99.996%  kept
          HA    LEU   71 - HN    HIS   22  13.16 +/- 1.07   0.252% *  1.3552% (0.22   0.02   0.02) =   0.004%
          HA    LYS+ 102 - HN    HIS   22  21.28 +/- 1.57   0.014% *  2.0764% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 14 structures by 0.93 A, kept.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.684, support = 3.5, residual support = 12.6:
        T HN    THR   26 - HN    THR   23   4.49 +/- 0.16  88.259% * 94.6895% (0.69 10.00   3.51  12.60) =  99.282%  kept
          HN    LEU   80 - HN    THR   23   6.46 +/- 0.56  11.632% *  5.1981% (0.34  1.00   2.21   6.02) =   0.718%  kept
          HN    ALA   34 - HN    THR   23  14.49 +/- 0.41   0.082% *  0.0344% (0.25  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    THR   23  17.78 +/- 1.78   0.027% *  0.0780% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.12 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.39, residual support = 21.1:
        T HN    HIS   22 - HN    THR   23   3.39 +/- 0.76  86.723% * 99.9047% (0.99 10.00   3.39  21.07) =  99.985%  kept
          HN    ASP-  76 - HN    THR   23   5.25 +/- 0.66  13.277% *  0.0953% (0.95  1.00   0.02   0.02) =   0.015%
    Distance limit 3.44 A violated in 0 structures by 0.23 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 7.48, residual support = 33.7:
        T HN    GLU-  25 - HN    VAL   24   2.73 +/- 0.13  98.889% * 99.8571% (0.98 10.00   7.48  33.68) = 100.000%  kept
          HN    ASN   28 - HN    VAL   24   5.92 +/- 0.34   1.073% *  0.0419% (0.41  1.00   0.02  13.06) =   0.000%
          HN    ASP-  44 - HN    VAL   24  10.79 +/- 1.20   0.038% *  0.1010% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 7.48, residual support = 33.7:
        T HN    VAL   24 - HN    GLU-  25   2.73 +/- 0.13 100.000% *100.0000% (1.00 10.00   7.48  33.68) = 100.000%  kept
    Distance limit 3.31 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 = 5.31, residual support = 27.9:
        T HN    THR   26 - HN    GLU-  25   2.98 +/- 0.08  99.997% * 99.9840% (0.97 10.00   5.31  27.86) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  17.60 +/- 0.86   0.003% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.976, support = 5.29, residual support = 27.6:
        T HN    GLU-  25 - HN    THR   26   2.98 +/- 0.08  88.281% * 94.2586% (0.98 10.00   5.31  27.86) =  99.213%  kept
          HN    ASN   28 - HN    THR   26   4.20 +/- 0.18  11.692% *  5.6461% (0.41  1.00   2.86   0.02) =   0.787%  kept
          HN    ASP-  44 - HN    THR   26  11.66 +/- 0.76   0.027% *  0.0953% (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 305 (7.74, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.49, residual support = 22.6:
          HN    TRP   27 - HN    THR   26   2.47 +/- 0.10  99.989% * 98.4679% (0.99   4.49  22.59) = 100.000%  kept
          HD1   TRP   87 - HN    THR   26  13.67 +/- 1.21   0.005% *  0.2682% (0.61   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR   26  17.01 +/- 0.43   0.001% *  0.2861% (0.65   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR   26  16.48 +/- 1.37   0.001% *  0.1660% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    THR   26  15.12 +/- 0.40   0.002% *  0.1103% (0.25   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR   26  18.59 +/- 1.09   0.001% *  0.3380% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR   26  19.32 +/- 0.94   0.000% *  0.3038% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  19.26 +/- 2.18   0.001% *  0.0598% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.925, support = 3.41, residual support = 12.5:
          HN    THR   23 - HN    THR   26   4.49 +/- 0.16  73.847% * 60.3076% (0.97   3.51  12.60) =  92.015%  kept
          HD2   HIS   22 - HN    THR   26   5.85 +/- 0.93  19.415% * 10.2211% (0.45   1.28   0.12) =   4.100%  kept
          HE3   TRP   27 - HN    THR   26   6.76 +/- 0.35   6.634% * 28.3414% (0.49   3.27  22.59) =   3.885%  kept
          QE    PHE   95 - HN    THR   26  16.84 +/- 1.57   0.030% *  0.3364% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    THR   26  15.08 +/- 0.94   0.054% *  0.0481% (0.14   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    THR   26  21.07 +/- 1.14   0.007% *  0.3283% (0.92   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    THR   26  20.75 +/- 2.21   0.010% *  0.2157% (0.61   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    THR   26  23.91 +/- 1.68   0.003% *  0.2013% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.04 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.925, support = 4.82, residual support = 82.8:
          HE3   TRP   27 - HN    TRP   27   4.67 +/- 0.19  56.317% * 70.5076% (1.00   5.34 108.10) =  76.478%  kept
          HN    THR   23 - HN    TRP   27   4.92 +/- 0.34  42.432% * 28.7802% (0.69   3.16   0.73) =  23.521%  kept
          HN    LYS+  81 - HN    TRP   27  10.80 +/- 0.82   0.418% *  0.0464% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    TRP   27  15.11 +/- 1.58   0.059% *  0.1924% (0.73   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    ALA   91  12.75 +/- 1.42   0.161% *  0.0238% (0.09   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   91  14.21 +/- 1.89   0.106% *  0.0327% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    ALA   91  14.61 +/- 1.75   0.085% *  0.0327% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   91  10.89 +/- 0.65   0.364% *  0.0057% (0.02   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   27  22.66 +/- 1.42   0.005% *  0.2643% (1.00   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   27  19.47 +/- 1.11   0.011% *  0.0818% (0.31   0.02   0.02) =   0.000%
          HN    THR   23 - HN    ALA   91  16.14 +/- 1.18   0.038% *  0.0225% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  24.37 +/- 1.13   0.003% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.23 A, kept.
 
    Peak 308 (8.12, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.49, residual support = 22.6:
        T HN    THR   26 - HN    TRP   27   2.47 +/- 0.10  99.995% * 99.8587% (0.97 10.00   4.49  22.59) = 100.000%  kept
        T HN    THR   26 - HN    ALA   91  18.59 +/- 1.09   0.001% *  0.1234% (0.12 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    TRP   27  13.76 +/- 0.84   0.004% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  22.00 +/- 1.60   0.000% *  0.0020% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 31.9:
        T HN    GLN   90 - HN    ALA   91   2.84 +/- 0.40  99.853% * 91.0962% (0.12 10.00   6.75  31.90) = 100.000%  kept
        T HN    GLN   90 - HN    TRP   27  16.30 +/- 1.68   0.004% *  7.3725% (0.95 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  10.69 +/- 1.11   0.049% *  0.1735% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    ALA   91  11.19 +/- 2.29   0.054% *  0.0507% (0.07  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  16.77 +/- 1.53   0.003% *  0.7794% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  11.47 +/- 0.66   0.034% *  0.0214% (0.03  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  22.30 +/- 1.44   0.001% *  0.4100% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  18.17 +/- 2.44   0.002% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 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 = 5.28, residual support = 50.1:
        T HN    ASN   28 - HN    TRP   27   2.77 +/- 0.08  89.263% * 95.0922% (0.99 10.00   5.29  50.42) =  99.414%  kept
          HN    GLU-  25 - HN    TRP   27   3.99 +/- 0.22  10.671% *  4.6890% (0.38  1.00   2.60   0.18) =   0.586%  kept
          HN    ASP-  44 - HN    TRP   27   9.73 +/- 0.61   0.051% *  0.0394% (0.41  1.00   0.02   0.02) =   0.000%
        T HN    ASN   28 - HN    ALA   91  18.26 +/- 1.12   0.001% *  0.1175% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  12.86 +/- 1.23   0.011% *  0.0049% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  19.64 +/- 1.06   0.001% *  0.0467% (0.49  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  17.27 +/- 0.96   0.002% *  0.0044% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  27.01 +/- 1.71   0.000% *  0.0058% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 2.37, residual support = 108.1:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  99.807% * 99.6433% (0.76  10.0   2.37 108.10) = 100.000%  kept
          HE21  GLN   30 - HE1   TRP   27   8.60 +/- 1.60   0.190% *  0.1292% (0.99   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HE1   TRP   27  16.51 +/- 1.80   0.002% *  0.0996% (0.76   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE1   TRP   27  23.35 +/- 2.10   0.000% *  0.1278% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 1.66, residual support = 108.1:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  99.995% * 99.8691% (0.45  10.0   1.66 108.10) = 100.000%  kept
          HZ    PHE   72 - HE1   TRP   27  15.74 +/- 2.09   0.005% *  0.1309% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 313 (8.30, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.968, support = 5.27, residual support = 33.7:
          HN    GLU-  29 - HN    ASN   28   2.74 +/- 0.15  86.590% * 68.3787% (0.98   5.43  35.57) =  93.393%  kept
          HN    GLN   30 - HN    ASN   28   3.75 +/- 0.12  13.394% * 31.2716% (0.80   3.04   7.79) =   6.607%  kept
          HN    ASP-  86 - HN    ASN   28  12.44 +/- 1.26   0.012% *  0.2229% (0.87   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    ASN   28  16.50 +/- 0.63   0.002% *  0.0348% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    ASN   28  18.52 +/- 1.87   0.001% *  0.0572% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    ASN   28  20.96 +/- 3.85   0.001% *  0.0348% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 314 (7.74, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 5.29, residual support = 50.4:
          HN    TRP   27 - HN    ASN   28   2.77 +/- 0.08  99.947% * 98.6961% (0.99   5.29  50.42) = 100.000%  kept
          HD1   TRP   87 - HN    ASN   28  11.91 +/- 1.21   0.020% *  0.2283% (0.61   0.02   0.02) =   0.000%
          HN    THR   39 - HN    ASN   28  14.43 +/- 0.30   0.005% *  0.2435% (0.65   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    ASN   28  13.68 +/- 1.58   0.009% *  0.1412% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    ASN   28  12.42 +/- 0.30   0.013% *  0.0938% (0.25   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   28  18.26 +/- 1.12   0.001% *  0.2876% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    ASN   28  15.52 +/- 2.11   0.005% *  0.0509% (0.14   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    ASN   28  19.77 +/- 0.72   0.001% *  0.2585% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.414, support = 5.33, residual support = 50.1:
          HD1   TRP   27 - HN    ASN   28   4.00 +/- 0.47  96.182% * 83.6394% (0.41   5.37  50.42) =  99.279%  kept
          HE21  GLN   30 - HN    ASN   28   8.06 +/- 1.31   3.806% * 15.3487% (0.76   0.53   7.79) =   0.721%  kept
          QD    PHE   59 - HN    ASN   28  19.34 +/- 1.74   0.010% *  0.3118% (0.41   0.02   0.02) =   0.000%
          HH2   TRP   49 - HN    ASN   28  25.57 +/- 2.17   0.002% *  0.7001% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.15 A, kept.
 
    Peak 316 (6.96, 8.80, 115.33 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.76, residual support = 104.9:
          HD22  ASN   28 - HN    ASN   28   2.57 +/- 0.61  99.995% * 99.9341% (0.92   5.76 104.88) = 100.000%  kept
          QE    PHE   72 - HN    ASN   28  15.25 +/- 0.83   0.005% *  0.0659% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 317 (6.97, 7.61, 111.81 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 2.75, residual support = 104.9:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00 100.000% * 99.9543% (0.98  10.0   2.75 104.88) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  15.85 +/- 1.19   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 = 2.64:
          HA    GLU-  25 - HD21  ASN   28   4.63 +/- 0.12  98.858% * 96.5836% (1.00   1.27   2.64) =  99.989%  kept
          HA    SER   82 - HD21  ASN   28  10.85 +/- 1.72   0.993% *  0.8642% (0.57   0.02   0.02) =   0.009%
          HA    ILE   19 - HD21  ASN   28  14.20 +/- 0.89   0.136% *  1.4439% (0.95   0.02   0.02) =   0.002%
          HA    CYS   53 - HD21  ASN   28  21.04 +/- 1.03   0.012% *  1.1084% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 0.833, support = 5.99, residual support = 103.5:
      O   HA    ASN   28 - HN    ASN   28   2.76 +/- 0.05  92.042% * 86.2836% (0.84  10.0   6.01 104.88) =  98.693%  kept
          HA    THR   26 - HN    ASN   28   4.21 +/- 0.23   7.925% * 13.2714% (0.65   1.0   3.97   0.02) =   1.307%  kept
          HA1   GLY  101 - HN    ASN   28  13.66 +/- 3.10   0.017% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASN   28  11.89 +/- 0.26   0.015% *  0.0997% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   28  23.01 +/- 1.18   0.000% *  0.0896% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASN   28  26.77 +/- 1.00   0.000% *  0.0977% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  23.52 +/- 1.06   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  28.78 +/- 4.55   0.000% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 5.23, residual support = 101.9:
      O   HA    TRP   27 - HN    TRP   27   2.75 +/- 0.03  58.955% * 90.4766% (0.97  10.0   5.39 108.10) =  93.341%  kept
      O   HA    ALA   91 - HN    ALA   91   2.92 +/- 0.01  41.026% *  9.2758% (0.10  10.0   3.12  14.52) =   6.659%  kept
          HA    PRO   52 - HN    ALA   91  12.78 +/- 1.83   0.008% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  18.16 +/- 1.66   0.001% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  14.30 +/- 1.26   0.003% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.22 +/- 1.01   0.000% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  17.46 +/- 1.34   0.001% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  23.64 +/- 1.37   0.000% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  15.87 +/- 2.37   0.004% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  26.19 +/- 1.61   0.000% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 321 (4.22, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.49, residual support = 22.6:
          HB    THR   26 - HN    TRP   27   3.09 +/- 0.18  99.921% * 99.0131% (0.99   4.49  22.59) = 100.000%  kept
          HA    SER   82 - HN    TRP   27  12.57 +/- 1.32   0.031% *  0.0779% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    TRP   27  21.16 +/- 0.82   0.001% *  0.4291% (0.97   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  11.51 +/- 0.83   0.043% *  0.0096% (0.02   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  18.93 +/- 1.32   0.002% *  0.0545% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    TRP   27  26.60 +/- 1.32   0.000% *  0.3229% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    ALA   91  22.71 +/- 1.11   0.001% *  0.0530% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  22.09 +/- 1.38   0.001% *  0.0399% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 322 (4.77, 8.12, 116.43 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    THR   26  22.81 +/- 1.06 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.30 A violated in 20 structures by 18.51 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.207, support = 4.3, residual support = 34.3:
      O   HB    THR   26 - HN    THR   26   2.11 +/- 0.09  96.160% * 21.3631% (0.15  10.0   4.16  35.22) =  87.242%  kept
      O   HA    GLU-  25 - HN    THR   26   3.63 +/- 0.02   3.832% * 78.3875% (0.57  10.0   5.26  27.86) =  12.758%  kept
          HA    SER   82 - HN    THR   26  13.07 +/- 1.21   0.002% *  0.1381% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    THR   26  11.15 +/- 0.88   0.005% *  0.0472% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   26  22.53 +/- 0.91   0.000% *  0.0427% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  20.84 +/- 1.72   0.000% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 324 (4.82, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.798, support = 2.65, residual support = 5.89:
          HA    THR   23 - HN    GLU-  25   4.35 +/- 0.17  38.909% * 67.7618% (0.98   2.80   5.89) =  59.819%  kept
          HB    THR   23 - HN    GLU-  25   4.08 +/- 0.27  56.540% * 31.2957% (0.53   2.41   5.89) =  40.146%  kept
          HA    LEU   80 - HN    GLU-  25   6.35 +/- 0.54   4.487% *  0.3388% (0.69   0.02   0.02) =   0.034%
          HA    ASP-  78 - HN    GLU-  25  12.67 +/- 0.54   0.062% *  0.4665% (0.95   0.02   0.02) =   0.001%
          HA    ASP- 105 - HN    GLU-  25  23.10 +/- 1.02   0.002% *  0.1371% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.20 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.87, residual support = 127.1:
      O   HA    GLU-  25 - HN    GLU-  25   2.69 +/- 0.04  99.953% * 99.7793% (0.87  10.0   5.87 127.10) = 100.000%  kept
          HA    SER   82 - HN    GLU-  25  10.48 +/- 1.14   0.040% *  0.1032% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  25  13.45 +/- 0.59   0.007% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  25  20.99 +/- 1.70   0.000% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.704, support = 4.45, residual support = 17.2:
      O   HA    THR   23 - HN    VAL   24   2.66 +/- 0.18  60.121% * 92.3688% (0.73  10.0   4.42  17.23) =  95.661%  kept
          HB    THR   23 - HN    VAL   24   3.25 +/- 0.75  33.807% *  7.4428% (0.22   1.0   5.26  17.23) =   4.334%  kept
          HA    LEU   80 - HN    VAL   24   4.20 +/- 0.58   6.036% *  0.0434% (0.34   1.0   0.02  10.18) =   0.005%
          HA    ASP-  78 - HN    VAL   24  10.32 +/- 0.43   0.016% *  0.1228% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    VAL   24  10.28 +/- 1.18   0.021% *  0.0223% (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 327 (4.80, 7.33, 104.59 ppm):
    5 chemical-shift based assignments, quality = 0.656, support = 3.05, residual support = 18.4:
      O   HA    THR   23 - HN    THR   23   2.27 +/- 0.12  91.759% * 37.7551% (0.61  10.0   3.04  18.44) =  87.294%  kept
      O   HB    THR   23 - HN    THR   23   3.52 +/- 0.37   8.119% * 62.1094% (1.00  10.0   3.15  18.44) =  12.706%  kept
          HA    LEU   80 - HN    THR   23   7.36 +/- 0.85   0.115% *  0.0589% (0.95   1.0   0.02   6.02) =   0.000%
          HA    ASP-  78 - HN    THR   23  11.19 +/- 0.61   0.008% *  0.0192% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    THR   23  22.32 +/- 1.04   0.000% *  0.0575% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.402:
          HA    ALA   20 - HN    THR   23   5.35 +/- 0.28  99.704% * 46.5057% (0.73   0.02   0.40) =  99.660%  kept
          HA    LEU   71 - HN    THR   23  14.30 +/- 0.72   0.296% * 53.4943% (0.84   0.02   0.02) =   0.340%
    Distance limit 3.86 A violated in 19 structures by 1.48 A, eliminated.
    Peak unassigned.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.52, residual support = 12.6:
          HB    THR   26 - HN    THR   23   3.89 +/- 0.11  99.909% * 98.5297% (0.99   2.52  12.60) = 100.000%  kept
          HA    SER   82 - HN    THR   23  12.91 +/- 0.98   0.084% *  0.1380% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   23  20.02 +/- 1.01   0.006% *  0.7603% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    THR   23  26.98 +/- 1.19   0.001% *  0.5721% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.29 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.75, residual support = 104.9:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  99.946% * 99.7763% (0.98  10.0   2.75 104.88) = 100.000%  kept
          HZ2   TRP   87 - HD22  ASN   28   6.89 +/- 1.51   0.054% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HD22  ASN   28  14.06 +/- 1.08   0.000% *  0.0495% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  21.35 +/- 0.92   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  23.44 +/- 0.92   0.000% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (8.79, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 5.43, residual support = 35.6:
        T HN    ASN   28 - HN    GLU-  29   2.74 +/- 0.15  99.188% * 99.7796% (0.76 10.00   5.43  35.57) =  99.999%  kept
          HN    GLU-  25 - HN    GLU-  29   6.19 +/- 0.36   0.801% *  0.0948% (0.73  1.00   0.02   0.02) =   0.001%
          HN    ASP-  44 - HN    GLU-  29  12.91 +/- 0.59   0.010% *  0.0998% (0.76  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    GLU-  29  20.01 +/- 1.07   0.001% *  0.0258% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 332 (7.84, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 7.18, residual support = 51.4:
        T HN    LEU   31 - HN    GLN   30   2.50 +/- 0.09  99.985% * 98.4622% (0.73 10.00   7.18  51.36) = 100.000%  kept
        T HN    PHE   55 - HN    GLN   30  25.37 +/- 1.11   0.000% *  1.3086% (0.97 10.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  12.03 +/- 1.34   0.011% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  17.96 +/- 1.23   0.001% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   30  20.38 +/- 0.89   0.000% *  0.0877% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  17.26 +/- 2.35   0.001% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  24.31 +/- 1.21   0.000% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  19.83 +/- 1.02   0.000% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  24.92 +/- 1.11   0.000% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  25.15 +/- 1.00   0.000% *  0.0027% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 45.7:
        T HN    LEU   31 - HN    GLN   32   2.70 +/- 0.09  99.917% * 99.0995% (0.98 10.00   5.85  45.70) = 100.000%  kept
          HN    LYS+  38 - HN    GLN   32   8.85 +/- 0.14   0.082% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    PHE   55 - HN    GLN   32  28.25 +/- 1.00   0.000% *  0.6945% (0.69 10.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   32  22.63 +/- 0.97   0.000% *  0.0956% (0.95  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  19.42 +/- 1.54   0.001% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  27.40 +/- 1.07   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 44.5:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00 100.000% * 99.4510% (0.87  10.0   1.00  44.49) = 100.000%  kept
          HE22  GLN   17 - HE21  GLN   32  22.92 +/- 2.27   0.000% *  0.2248% (0.98   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  29.84 +/- 2.88   0.000% *  0.1752% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  25.71 +/- 3.21   0.000% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  33.75 +/- 2.82   0.000% *  0.0782% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.60 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 = 44.5:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  99.983% * 98.9152% (0.83  10.0 10.00   1.00  44.49) = 100.000%  kept
          HN    ALA   84 - HE22  GLN   90   8.87 +/- 2.12   0.016% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  13.14 +/- 1.43   0.001% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  21.60 +/- 1.54   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  22.92 +/- 2.27   0.000% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  20.77 +/- 2.54   0.000% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  29.84 +/- 2.88   0.000% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  20.74 +/- 1.68   0.000% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  18.85 +/- 2.08   0.000% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  26.88 +/- 1.87   0.000% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  24.16 +/- 2.46   0.000% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  26.57 +/- 1.09   0.000% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  34.11 +/- 2.27   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  32.27 +/- 1.35   0.000% *  0.0860% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  25.54 +/- 3.50   0.000% *  0.0141% (0.12   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 338 (7.75, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.88, residual support = 51.7:
          HN    GLU-  36 - HN    ASN   35   2.31 +/- 0.02  99.159% * 98.7867% (0.90   5.88  51.73) =  99.997%  kept
          HN    THR   39 - HN    ASN   35   5.15 +/- 0.23   0.821% *  0.3618% (0.97   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HN    ASN   35  11.20 +/- 1.85   0.016% *  0.2722% (0.73   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    ASN   35  12.42 +/- 0.36   0.004% *  0.1541% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    ASN   35  18.51 +/- 1.18   0.000% *  0.3674% (0.98   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   35  25.47 +/- 1.45   0.000% *  0.0578% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 55.4:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   2.00  55.42) = 100.000%  kept
    Distance limit 2.50 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 = 55.4:
      O   HA    ASN   35 - HN    ASN   35   2.85 +/- 0.01  99.700% * 99.5029% (0.98  10.0   4.55  55.42) = 100.000%  kept
          HA    LYS+  99 - HN    ASN   35   9.12 +/- 1.02   0.127% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ASN   35   8.34 +/- 0.35   0.164% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ASN   35  15.89 +/- 1.88   0.004% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASN   35  22.24 +/- 5.61   0.001% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ASN   35  17.96 +/- 3.30   0.003% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  26.86 +/- 1.23   0.000% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  24.96 +/- 0.81   0.000% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  29.50 +/- 1.46   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (7.19, 6.64, 111.61 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.41, residual support = 156.2:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  99.907% * 99.6989% (0.90  10.0   2.41 156.16) = 100.000%  kept
          HD1   TRP   27 - HE22  GLN   30   6.69 +/- 1.66   0.093% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HE22  GLN   30  16.32 +/- 1.77   0.000% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  26.54 +/- 2.36   0.000% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 343 (6.64, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.41, residual support = 156.2:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00  99.999% * 99.8775% (0.92  10.0 10.00   2.41 156.16) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  13.45 +/- 2.26   0.001% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  23.15 +/- 2.12   0.000% *  0.0569% (0.53   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 344 (4.46, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.251, support = 0.0198, residual support = 0.0198:
          HA    VAL   42 - HN    GLN   30  11.69 +/- 0.51   9.075% *  6.4793% (0.25   0.02   0.02) =  51.322%  kept
          HA    VAL   42 - HN    LYS+  99   7.88 +/- 0.62  86.789% *  0.4257% (0.02   0.02   0.02) =  32.247%  kept
          HA    GLN   90 - HN    GLN   30  20.01 +/- 0.91   0.368% * 25.0767% (0.97   0.02   0.02) =   8.060%  kept
          HA    ALA  110 - HN    GLN   30  25.67 +/- 2.66   0.092% * 25.9267% (1.00   0.02   0.02) =   2.084%  kept
          HA    VAL  107 - HN    GLN   30  21.98 +/- 0.88   0.210% *  8.8635% (0.34   0.02   0.02) =   1.621%  kept
          HA    ALA   91 - HN    GLN   30  21.54 +/- 1.53   0.280% *  5.7850% (0.22   0.02   0.02) =   1.415%  kept
          HA    VAL  107 - HN    LYS+  99  14.46 +/- 0.48   2.373% *  0.5823% (0.02   0.02   0.02) =   1.206%  kept
          HA    PHE   55 - HN    GLN   30  26.89 +/- 1.15   0.063% * 21.7040% (0.84   0.02   0.02) =   1.188%  kept
          HA    ALA  110 - HN    LYS+  99  21.05 +/- 1.45   0.262% *  1.7034% (0.07   0.02   0.02) =   0.390%
          HA    GLN   90 - HN    LYS+  99  21.54 +/- 1.40   0.214% *  1.6475% (0.06   0.02   0.02) =   0.308%
          HA    PHE   55 - HN    LYS+  99  25.78 +/- 1.15   0.075% *  1.4259% (0.05   0.02   0.02) =   0.094%
          HA    ALA   91 - HN    LYS+  99  21.80 +/- 0.89   0.199% *  0.3801% (0.01   0.02   0.02) =   0.066%
    Distance limit 4.19 A violated in 20 structures by 3.50 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.817, support = 4.66, residual support = 39.3:
          HN    ALA   34 - HN    LYS+  33   2.46 +/- 0.06  66.096% * 79.2062% (0.90   4.59  42.87) =  88.513%  kept
          HN    GLN   32 - HN    LYS+  33   2.76 +/- 0.06  33.903% * 20.0402% (0.20   5.26  11.62) =  11.487%  kept
          HN    LEU   80 - HN    LYS+  33  17.82 +/- 0.65   0.000% *  0.3718% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  33  26.70 +/- 1.28   0.000% *  0.3818% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 55.4:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00 100.000% * 99.5403% (0.73  10.0   2.00  55.42) = 100.000%  kept
          HD2   HIS   22 - HD22  ASN   35  19.26 +/- 1.80   0.000% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  19.93 +/- 2.78   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HD22  ASN   35  22.11 +/- 1.21   0.000% *  0.0995% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  19.66 +/- 1.19   0.000% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  31.83 +/- 2.27   0.000% *  0.1344% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 2.62 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 = 51.7:
        T HN    ASN   35 - HN    GLU-  36   2.31 +/- 0.02  99.995% * 99.7986% (0.99 10.00   5.88  51.73) = 100.000%  kept
        T HN    LYS+  99 - HN    GLU-  36  12.63 +/- 0.90   0.004% *  0.1363% (0.14 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLU-  36  18.15 +/- 3.44   0.001% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.328, support = 3.65, residual support = 15.7:
          HN    GLU-  36 - HN    SER   37   2.42 +/- 0.07  86.070% * 38.6423% (0.25   3.97  18.93) =  80.307%  kept
          HN    THR   39 - HN    SER   37   3.30 +/- 0.11  13.923% * 58.5807% (0.65   2.32   2.75) =  19.693%  kept
          HN    TRP   27 - HN    SER   37  15.05 +/- 0.28   0.002% *  0.7733% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    SER   37  12.96 +/- 1.62   0.005% *  0.1056% (0.14   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    SER   37  21.41 +/- 1.08   0.000% *  0.4732% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    SER   37  20.27 +/- 2.11   0.000% *  0.2928% (0.38   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    SER   37  22.12 +/- 0.88   0.000% *  0.5359% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    SER   37  28.01 +/- 1.43   0.000% *  0.5962% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.935, support = 5.16, residual support = 26.9:
          HN    THR   39 - HN    LYS+  38   2.63 +/- 0.09  86.040% * 83.1503% (0.95   5.27  27.76) =  97.001%  kept
          HN    GLU-  36 - HN    LYS+  38   3.57 +/- 0.03  13.939% * 15.8659% (0.57   1.68   0.63) =   2.999%  kept
          HN    LYS+ 102 - HN    LYS+  38  11.63 +/- 1.52   0.018% *  0.1252% (0.38   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    LYS+  38  15.88 +/- 0.31   0.002% *  0.2548% (0.76   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  38  21.22 +/- 1.13   0.000% *  0.3078% (0.92   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  19.69 +/- 2.23   0.001% *  0.0451% (0.14   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    LYS+  38  22.26 +/- 0.81   0.000% *  0.1137% (0.34   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  27.88 +/- 1.50   0.000% *  0.1371% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 51.0:
      O   HA    ASN   35 - HN    GLU-  36   3.57 +/- 0.01  87.962% * 83.7748% (0.38  10.0   4.70  51.73) =  97.698%  kept
          HA    SER   37 - HN    GLU-  36   5.01 +/- 0.06  11.635% * 14.9156% (0.38   1.0   3.56  18.93) =   2.301%  kept
          HA    LEU   40 - HN    GLU-  36   9.71 +/- 0.25   0.222% *  0.2232% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU-  36  10.72 +/- 0.90   0.141% *  0.0557% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    GLU-  36  17.28 +/- 3.47   0.016% *  0.2112% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    GLU-  36  15.88 +/- 1.99   0.015% *  0.2112% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    GLU-  36  19.23 +/- 1.44   0.004% *  0.0838% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  36  23.04 +/- 5.66   0.003% *  0.1174% (0.53   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  36  26.15 +/- 0.84   0.001% *  0.2154% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  36  24.93 +/- 0.71   0.001% *  0.1001% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  28.39 +/- 1.26   0.000% *  0.0918% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 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 +/- 0.02  99.999% * 99.7892% (0.69  10.0   6.06  86.74) = 100.000%  kept
          HA    LYS+  66 - HN    GLU-  36  21.38 +/- 1.42   0.001% *  0.0998% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  24.79 +/- 0.82   0.000% *  0.0822% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  24.16 +/- 6.43   0.001% *  0.0287% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 353 (4.42, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.08, residual support = 26.8:
      O   HA    SER   37 - HN    SER   37   2.92 +/- 0.00  99.804% * 99.4774% (0.97  10.0   4.08  26.83) = 100.000%  kept
          HA    LEU   40 - HN    SER   37   8.49 +/- 0.14   0.166% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    SER   37  16.59 +/- 3.55   0.009% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    SER   37  14.88 +/- 2.05   0.008% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    SER   37  13.39 +/- 0.25   0.011% *  0.0462% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    SER   37  18.19 +/- 1.51   0.002% *  0.0995% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  24.93 +/- 0.67   0.000% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  25.18 +/- 0.87   0.000% *  0.0708% (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 354 (4.08, 7.91, 112.05 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.29, residual support = 18.9:
      O   HA    GLU-  36 - HN    SER   37   3.47 +/- 0.01  99.996% * 99.6452% (0.34  10.0   4.29  18.93) = 100.000%  kept
          HA    LYS+  66 - HN    SER   37  19.60 +/- 1.42   0.003% *  0.2819% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    SER   37  25.83 +/- 0.82   0.001% *  0.0728% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 355 (4.41, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.82, residual support = 13.6:
      O   HA    SER   37 - HN    LYS+  38   3.40 +/- 0.03  98.979% * 99.2058% (0.73  10.0   4.82  13.62) =  99.999%  kept
          HA    LEU   40 - HN    LYS+  38   7.39 +/- 0.13   0.952% *  0.1141% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    LYS+  38  15.86 +/- 2.03   0.013% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LYS+  38  17.98 +/- 3.55   0.012% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    LYS+  38  12.97 +/- 0.16   0.032% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LYS+  38  18.79 +/- 1.47   0.004% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  20.45 +/- 5.91   0.006% *  0.0304% (0.22   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LYS+  38  25.31 +/- 0.87   0.001% *  0.1292% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  25.08 +/- 0.52   0.001% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  27.41 +/- 1.21   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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   4.20 +/- 0.05  99.967% * 93.5619% (0.97   0.63   0.63) = 100.000%  kept
          HA    ALA  124 - HN    LYS+  38  21.22 +/- 6.75   0.020% *  1.4923% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  66 - HN    LYS+  38  19.56 +/- 1.33   0.011% *  1.0458% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  38  26.10 +/- 0.85   0.002% *  2.7495% (0.90   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  38  29.56 +/- 1.11   0.001% *  1.1506% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 3.85, residual support = 38.5:
      O   HA    THR   39 - HN    THR   39   2.86 +/- 0.02  99.975% * 99.4345% (1.00  10.0   3.85  38.55) = 100.000%  kept
          HA    ILE  103 - HN    THR   39  13.28 +/- 0.65   0.011% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  19.29 +/- 3.93   0.011% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    THR   39  16.95 +/- 0.34   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  22.78 +/- 0.94   0.000% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  25.47 +/- 0.64   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  25.15 +/- 0.59   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  25.74 +/- 1.32   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  31.72 +/- 1.28   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 358 (4.27, 8.88, 128.13 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.02, residual support = 23.6:
      O   HA    THR   39 - HN    LEU   40   2.29 +/- 0.02  99.988% * 99.4345% (1.00  10.0   4.02  23.64) = 100.000%  kept
          HA    ILE  103 - HN    LEU   40  10.97 +/- 0.55   0.009% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   40  14.32 +/- 0.37   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  21.13 +/- 3.57   0.001% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  19.67 +/- 0.92   0.000% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  25.20 +/- 0.58   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  23.66 +/- 0.57   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  24.76 +/- 1.15   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  28.91 +/- 1.24   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 5.22, residual support = 104.3:
      O   HA    LEU   40 - HN    LEU   40   2.80 +/- 0.01  97.190% * 99.4414% (1.00  10.0   5.22 104.32) =  99.999%  kept
          HA    LYS+  99 - HN    LEU   40   5.48 +/- 0.86   2.472% *  0.0248% (0.25   1.0   0.02  11.46) =   0.001%
          HA    ASN   35 - HN    LEU   40   8.43 +/- 0.28   0.133% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    LEU   40   8.44 +/- 0.12   0.130% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LEU   40  13.76 +/- 5.89   0.052% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   40  13.54 +/- 1.97   0.011% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   40  17.83 +/- 3.17   0.004% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LEU   40  14.60 +/- 1.58   0.006% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   40  19.60 +/- 0.92   0.001% *  0.0960% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  20.89 +/- 0.56   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  21.37 +/- 1.24   0.001% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (4.85, 9.02, 128.16 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 4.51, residual support = 74.5:
      O   HA    VAL   41 - HN    VAL   41   2.91 +/- 0.02  99.991% * 99.4222% (0.22  10.0   4.51  74.50) = 100.000%  kept
          HA    PHE   45 - HN    VAL   41  14.68 +/- 0.25   0.006% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   41  16.95 +/- 0.93   0.003% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   41  22.97 +/- 0.61   0.000% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 5.01, residual support = 19.7:
      O   HA    LEU   40 - HN    VAL   41   2.28 +/- 0.02  81.463% * 97.6040% (1.00  10.0   5.03  19.76) =  99.567%  kept
          HA    LYS+  99 - HN    VAL   41   3.25 +/- 0.71  18.490% *  1.8720% (0.25   1.0   1.54   0.02) =   0.433%
          HA    ASN   35 - HN    VAL   41   8.35 +/- 0.34   0.034% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   41  11.16 +/- 0.19   0.006% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  15.55 +/- 5.44   0.003% *  0.0514% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    VAL   41  15.35 +/- 1.74   0.001% *  0.0923% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   41  15.57 +/- 1.38   0.001% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  19.94 +/- 2.78   0.000% *  0.0923% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   41  19.25 +/- 1.00   0.000% *  0.0942% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  18.16 +/- 0.39   0.000% *  0.0438% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  20.07 +/- 1.12   0.000% *  0.0401% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 5.23, residual support = 31.8:
        T HN    LEU   98 - HN    VAL   41   3.29 +/- 0.47 100.000% *100.0000% (0.97 10.00   5.23  31.76) = 100.000%  kept
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.92, residual support = 5.94:
          HA    PHE   72 - HN    VAL   42   4.03 +/- 0.43 100.000% *100.0000% (0.22   1.92   5.94) = 100.000%  kept
    Distance limit 4.11 A violated in 0 structures by 0.15 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.16, residual support = 23.0:
      O   HA    VAL   41 - HN    VAL   42   2.21 +/- 0.03  99.992% * 99.4222% (0.22  10.0   5.16  22.98) = 100.000%  kept
          HA    PHE   45 - HN    VAL   42  11.27 +/- 0.20   0.006% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   42  13.60 +/- 1.02   0.002% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   42  19.74 +/- 0.58   0.000% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 5.39, residual support = 87.3:
      O   HA    VAL   42 - HN    VAL   42   2.93 +/- 0.01  99.947% * 99.6568% (0.87  10.0   5.39  87.33) = 100.000%  kept
          HA    GLN   17 - HN    VAL   42  11.92 +/- 1.18   0.028% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   42  12.70 +/- 0.33   0.015% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  14.61 +/- 0.33   0.007% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  18.91 +/- 2.43   0.002% *  0.0650% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  19.07 +/- 0.63   0.001% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   42  20.82 +/- 0.93   0.001% *  0.0997% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 5.03, residual support = 38.3:
      O   HA    VAL   42 - HN    VAL   43   2.19 +/- 0.01  99.990% * 99.7026% (1.00  10.0   5.03  38.27) = 100.000%  kept
          HA    THR   46 - HN    VAL   43  11.45 +/- 0.28   0.005% *  0.0566% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   43  13.30 +/- 0.97   0.002% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  16.77 +/- 0.37   0.001% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  15.31 +/- 2.22   0.001% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  15.48 +/- 0.53   0.001% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  18.09 +/- 0.92   0.000% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (4.90, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 2.73, residual support = 6.08:
          HA    LYS+  74 - HN    ASP-  44   3.43 +/- 0.37  99.446% * 95.9769% (0.28   2.73   6.08) =  99.996%  kept
          HA    VAL   41 - HN    ASP-  44   8.64 +/- 0.25   0.476% *  0.5003% (0.20   0.02   0.02) =   0.002%
          HA    MET   92 - HN    ASP-  44  12.32 +/- 0.73   0.062% *  2.1928% (0.87   0.02   0.02) =   0.001%
          HA    HIS  122 - HN    ASP-  44  16.16 +/- 2.74   0.016% *  1.3300% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.04 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   2.22 +/- 0.04  99.977% * 99.8182% (0.87  10.0   3.71  15.39) = 100.000%  kept
          HA    LEU   71 - HN    ASP-  44   9.64 +/- 0.44   0.016% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASP-  44  11.60 +/- 1.09   0.006% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    ASP-  44  15.22 +/- 0.47   0.001% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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   2.91 +/- 0.01  99.921% * 98.9185% (0.49  10.0   3.77  37.77) = 100.000%  kept
          HB    THR   77 - HN    ASP-  44  11.15 +/- 0.55   0.033% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  44  11.75 +/- 0.71   0.025% *  0.0627% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP-  44  14.89 +/- 0.60   0.006% *  0.2028% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  44  14.79 +/- 0.55   0.006% *  0.1396% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  44  17.38 +/- 1.52   0.003% *  0.1992% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP-  44  15.41 +/- 0.55   0.005% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  44  21.18 +/- 2.54   0.001% *  0.2032% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  44  23.52 +/- 2.87   0.001% *  0.1069% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.3, residual support = 27.2:
        T HN    THR   94 - HN    PHE   45   2.96 +/- 0.65  99.913% * 99.8815% (0.84 10.00   3.30  27.18) = 100.000%  kept
          HN    GLU-  79 - HN    PHE   45  10.84 +/- 0.64   0.087% *  0.1185% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 80.3:
          QD    PHE   45 - HN    PHE   45   2.16 +/- 0.52  99.992% * 98.5418% (0.53   5.62  80.26) = 100.000%  kept
          HD2   HIS  122 - HN    PHE   45  13.20 +/- 2.04   0.006% *  0.6429% (0.97   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    PHE   45  17.42 +/- 1.58   0.001% *  0.6301% (0.95   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    PHE   45  17.59 +/- 1.87   0.001% *  0.1852% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.69 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   3.80 +/- 0.71 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.49 A violated in 0 structures by 0.09 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.0, residual support = 80.3:
      O   HA    PHE   45 - HN    PHE   45   2.92 +/- 0.02  99.958% * 99.9134% (0.99  10.0   4.00  80.26) = 100.000%  kept
          HA    VAL   41 - HN    PHE   45  12.17 +/- 0.34   0.019% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    PHE   45  12.28 +/- 0.66   0.019% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  17.12 +/- 2.18   0.003% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (4.29, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.04, residual support = 19.1:
      O   HA    ASP-  44 - HN    PHE   45   2.29 +/- 0.02  99.895% * 99.3093% (1.00  10.0   4.04  19.14) = 100.000%  kept
          HB    THR   77 - HN    PHE   45   8.78 +/- 0.56   0.034% *  0.0984% (0.99   1.0   0.02   8.55) =   0.000%
          HA    ALA   57 - HN    PHE   45   8.28 +/- 0.94   0.057% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    PHE   45  12.61 +/- 0.96   0.004% *  0.0939% (0.95   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    PHE   45  13.71 +/- 0.53   0.002% *  0.0984% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    PHE   45  13.53 +/- 0.65   0.002% *  0.0602% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  13.60 +/- 0.70   0.002% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  14.31 +/- 0.78   0.002% *  0.0445% (0.45   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  18.36 +/- 0.47   0.000% *  0.0522% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  20.86 +/- 1.55   0.000% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  27.31 +/- 3.02   0.000% *  0.0991% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  24.91 +/- 2.67   0.000% *  0.0483% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 4.41, residual support = 12.5:
          QD    PHE   45 - HN    THR   46   4.44 +/- 0.18  99.768% * 94.4369% (0.22   4.41  12.48) =  99.998%  kept
          HD2   HIS  122 - HN    THR   46  17.23 +/- 1.70   0.035% *  1.8181% (0.95   0.02   0.02) =   0.001%
          HE22  GLN   17 - HN    THR   46  17.47 +/- 2.68   0.052% *  1.1657% (0.61   0.02   0.02) =   0.001%
          HE22  GLN   90 - HN    THR   46  13.93 +/- 1.25   0.127% *  0.2966% (0.15   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    THR   46  20.58 +/- 1.96   0.013% *  1.8548% (0.97   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    THR   46  24.03 +/- 1.08   0.004% *  0.4279% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.07 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.74, residual support = 3.96:
          HA    ASP-  76 - HN    THR   46   3.45 +/- 1.31  99.957% * 98.8090% (0.53   2.74   3.96) =  99.999%  kept
          HA    LEU   67 - HN    THR   46  19.36 +/- 1.03   0.043% *  1.1910% (0.87   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 1 structures by 0.24 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   2.28 +/- 0.06  99.929% * 99.9017% (0.76  10.0   3.97  12.48) = 100.000%  kept
          HA    ASP-  78 - HN    THR   46   8.41 +/- 0.77   0.045% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46   9.61 +/- 1.28   0.025% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    THR   46  15.13 +/- 0.29   0.001% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.775% * 99.4016% (0.57  10.0   3.25  34.52) = 100.000%  kept
          HA    GLN   90 - HN    THR   46   9.18 +/- 1.16   0.170% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    THR   46  12.22 +/- 0.23   0.019% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    THR   46  13.79 +/- 0.69   0.010% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    THR   46  13.81 +/- 2.95   0.019% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   46  15.25 +/- 1.38   0.006% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    THR   46  25.27 +/- 0.70   0.000% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 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   3.49 +/- 1.04 100.000% *100.0000% (1.00   3.62  11.98) = 100.000%  kept
    Distance limit 4.61 A violated in 1 structures by 0.14 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.893, support = 2.33, residual support = 10.9:
      O   HA    ALA   47 - HN    ALA   47   2.93 +/- 0.01  57.154% * 96.8065% (0.90  10.0   2.36  10.97) =  97.792%  kept
          HA    CYS   50 - HN    ALA   47   3.63 +/- 1.68  42.498% *  2.9393% (0.73   1.0   0.75   6.75) =   2.208%  kept
          HA    TRP   49 - HN    ALA   47   6.86 +/- 0.44   0.320% *  0.0568% (0.53   1.0   0.02  16.03) =   0.000%
          HA    VAL  108 - HN    ALA   47  12.47 +/- 1.87   0.017% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ALA   47  14.34 +/- 1.98   0.006% *  0.0741% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA   47  15.21 +/- 1.47   0.004% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 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   2.49 +/- 0.12  99.943% * 99.4016% (0.57  10.0   3.07  12.69) = 100.000%  kept
          HA    GLN   90 - HN    ALA   47  10.47 +/- 1.33   0.027% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    ALA   47  11.02 +/- 0.55   0.015% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   47  12.82 +/- 3.08   0.013% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ALA   47  15.69 +/- 0.39   0.002% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    ALA   47  16.57 +/- 1.78   0.001% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  28.98 +/- 0.84   0.000% *  0.1136% (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 386 (6.62, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.834, support = 4.27, residual support = 14.6:
        T HN    TRP   49 - HN    SER   48   2.69 +/- 0.14  89.055% * 94.3788% (0.84 10.00   4.28  14.67) =  99.283%  kept
          HN    CYS   50 - HN    SER   48   3.90 +/- 0.31  10.938% *  5.5524% (0.61  1.00   1.62   0.02) =   0.717%  kept
          HN    VAL   83 - HN    SER   48  13.68 +/- 1.19   0.007% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  20.82 +/- 1.94   0.001% *  0.0465% (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 387 (4.57, 9.44, 119.76 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 2.19, residual support = 6.27:
      O   HA    ALA   47 - HN    SER   48   2.33 +/- 0.07  98.694% * 99.6576% (0.90  10.0   2.19   6.27) =  99.999%  kept
          HA    TRP   49 - HN    SER   48   5.23 +/- 0.16   0.772% *  0.0585% (0.53   1.0   0.02  14.67) =   0.000%
          HA    CYS   50 - HN    SER   48   5.76 +/- 0.60   0.529% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    SER   48  15.26 +/- 2.37   0.002% *  0.0890% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    SER   48  16.86 +/- 2.76   0.001% *  0.0763% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    SER   48  16.37 +/- 2.44   0.002% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 4.6, residual support = 74.7:
          HD1   TRP   49 - HN    TRP   49   2.50 +/- 1.08  99.826% * 98.1792% (0.92   4.60  74.74) = 100.000%  kept
          QD    PHE   55 - HN    TRP   49  12.11 +/- 1.01   0.107% *  0.1153% (0.25   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    TRP   49  14.21 +/- 2.40   0.037% *  0.2992% (0.65   0.02   0.02) =   0.000%
          HN    THR   23 - HN    TRP   49  15.95 +/- 1.97   0.016% *  0.3177% (0.69   0.02   0.02) =   0.000%
          HD2   HIS   22 - HN    TRP   49  20.18 +/- 3.04   0.005% *  0.3703% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    TRP   49  17.90 +/- 1.83   0.008% *  0.0915% (0.20   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   49  24.33 +/- 0.81   0.001% *  0.4533% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    TRP   49  30.61 +/- 1.13   0.000% *  0.1736% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 4 structures by 0.20 A, kept.
 
    Peak 389 (9.45, 6.63, 116.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 4.28, residual support = 14.7:
        T HN    SER   48 - HN    TRP   49   2.69 +/- 0.14 100.000% *100.0000% (0.84 10.00   4.28  14.67) = 100.000%  kept
    Distance limit 3.65 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 = 0.969, support = 1.93, residual support = 6.87:
      O   HA    CYS   50 - HN    CYS   50   2.31 +/- 0.23  87.680% * 50.9337% (0.98  10.0   1.84   7.26) =  90.524%  kept
      O   HA    TRP   49 - HN    CYS   50   3.48 +/- 0.18   9.559% * 48.8967% (0.87  10.0   2.74   3.19) =   9.474%  kept
          HA    ALA   47 - HN    CYS   50   4.19 +/- 0.49   2.753% *  0.0319% (0.57   1.0   0.02   6.75) =   0.002%
          HA1   GLY  109 - HN    CYS   50  15.59 +/- 2.88   0.003% *  0.0544% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYS   50  14.60 +/- 2.57   0.004% *  0.0253% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYS   50  18.03 +/- 1.70   0.001% *  0.0387% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  26.46 +/- 1.85   0.000% *  0.0192% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.864, support = 4.15, residual support = 73.0:
      O   HA    TRP   49 - HN    TRP   49   2.88 +/- 0.05  81.075% * 79.4365% (0.87  10.0   4.18  74.74) =  97.336%  kept
          HA    ALA   47 - HN    TRP   49   4.00 +/- 0.35  12.684% *  7.6832% (0.57   1.0   2.96  16.03) =   1.473%  kept
          HA    CYS   50 - HN    TRP   49   4.53 +/- 0.38   6.225% * 12.6567% (0.98   1.0   2.82   3.19) =   1.191%  kept
          HA1   GLY  109 - HN    TRP   49  16.72 +/- 2.95   0.007% *  0.0884% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    TRP   49  15.71 +/- 2.47   0.008% *  0.0411% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    TRP   49  18.31 +/- 2.41   0.002% *  0.0629% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  26.96 +/- 1.75   0.000% *  0.0312% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 392 (7.36, 11.10, 134.86 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 2.07, residual support = 74.7:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  99.976% * 99.6863% (0.92  10.0   2.07  74.74) = 100.000%  kept
          QE    PHE   95 - HE1   TRP   49  13.01 +/- 2.83   0.021% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE1   TRP   49  22.34 +/- 3.06   0.001% *  0.1070% (0.99   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  17.86 +/- 2.25   0.001% *  0.0269% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HE1   TRP   49  24.20 +/- 1.27   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  30.57 +/- 2.16   0.000% *  0.0902% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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   2.90 +/- 0.14  90.388% * 99.4354% (0.98  10.0   1.39   1.39) =  99.987%  kept
          HA    TRP   49 - HN    GLY   51   4.84 +/- 1.17   8.700% *  0.1264% (0.87   1.0   0.02   0.02) =   0.012%
          HA    ALA   47 - HN    GLY   51   6.81 +/- 0.95   0.825% *  0.0825% (0.57   1.0   0.02   0.02) =   0.001%
          HA1   GLY  109 - HN    GLY   51  14.47 +/- 2.88   0.059% *  0.1406% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    GLY   51  14.28 +/- 2.40   0.026% *  0.0653% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY   51  20.48 +/- 1.52   0.001% *  0.1001% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  27.87 +/- 1.73   0.000% *  0.0497% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 2.81, residual support = 10.1:
      O   HA1   GLY   51 - HN    GLY   51   2.40 +/- 0.28  99.955% * 99.5416% (0.92  10.0   2.81  10.09) = 100.000%  kept
          HA    ALA   57 - HN    GLY   51  10.14 +/- 0.89   0.031% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    GLY   51  11.75 +/- 1.41   0.009% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    GLY   51  16.22 +/- 1.66   0.001% *  0.0824% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  14.20 +/- 0.78   0.003% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  19.24 +/- 1.89   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  22.13 +/- 1.78   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  24.35 +/- 1.67   0.000% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  29.84 +/- 0.91   0.000% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  34.15 +/- 4.40   0.000% *  0.0213% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (7.87, 8.09, 110.83 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 6.15, residual support = 31.9:
        T HN    ARG+  54 - HN    CYS   53   2.63 +/- 0.10  99.994% * 99.1159% (0.98 10.00   6.15  31.92) = 100.000%  kept
        T HN    ASP-  62 - HN    CYS   53  13.40 +/- 0.54   0.006% *  0.7343% (0.73 10.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    CYS   53  23.74 +/- 1.10   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  29.66 +/- 1.04   0.000% *  0.0845% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 6.15, residual support = 31.9:
        T HN    CYS   53 - HN    ARG+  54   2.63 +/- 0.10  99.991% * 99.6035% (0.85 10.00   6.15  31.92) = 100.000%  kept
        T HN    CYS   53 - HN    ASP-  62  13.40 +/- 0.54   0.006% *  0.1864% (0.16 10.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ARG+  54  16.75 +/- 1.10   0.002% *  0.0763% (0.65  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  22.57 +/- 1.54   0.000% *  0.0379% (0.32  1.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  20.00 +/- 0.67   0.001% *  0.0143% (0.12  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  20.22 +/- 1.01   0.001% *  0.0118% (0.10  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  26.67 +/- 1.06   0.000% *  0.0629% (0.54  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  21.20 +/- 0.90   0.000% *  0.0071% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.22, support = 0.02, residual support = 0.02:
          HN    GLN   17 - HN    ASP-  62  10.16 +/- 0.94  85.413% *  4.3392% (0.10   0.02   0.02) =  67.487%  kept
          HN    TRP   87 - HN    ARG+  54  19.70 +/- 1.38   2.085% * 29.7440% (0.69   0.02   0.02) =  11.290%  kept
          HD21  ASN   69 - HN    ASP-  62  15.36 +/- 1.44   9.371% *  5.8573% (0.14   0.02   0.02) =   9.994%  kept
          HN    GLN   17 - HN    ARG+  54  19.45 +/- 1.55   1.944% * 23.1904% (0.54   0.02   0.02) =   8.208%  kept
          HD21  ASN   69 - HN    ARG+  54  25.59 +/- 1.58   0.388% * 31.3037% (0.72   0.02   0.02) =   2.211%  kept
          HN    TRP   87 - HN    ASP-  62  22.59 +/- 0.67   0.799% *  5.5654% (0.13   0.02   0.02) =   0.810%  kept
    Distance limit 3.80 A violated in 20 structures by 6.09 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 = 20.4:
          HN    PHE   55 - HN    ILE   56   2.57 +/- 0.19  99.805% * 99.1176% (0.95   3.94  20.43) = 100.000%  kept
          HN    ASP-  62 - HN    ILE   56   9.49 +/- 0.46   0.043% *  0.1641% (0.31   0.02   0.02) =   0.000%
          HN    ALA   88 - HZ2   TRP   87   8.26 +/- 0.11   0.098% *  0.0200% (0.04   0.02   5.30) =   0.000%
          HN    LEU   31 - HZ2   TRP   87   9.79 +/- 1.62   0.053% *  0.0087% (0.02   0.02   1.75) =   0.000%
          HN    ALA   88 - HN    ILE   56  20.36 +/- 1.39   0.000% *  0.4612% (0.87   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    ILE   56  24.01 +/- 1.04   0.000% *  0.1995% (0.38   0.02   0.02) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  21.62 +/- 1.17   0.000% *  0.0218% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  20.47 +/- 1.26   0.000% *  0.0071% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 5.19, residual support = 33.0:
          HN    ALA   57 - HN    ILE   56   2.62 +/- 0.66  99.928% * 99.0164% (0.87   5.19  33.02) = 100.000%  kept
          HE21  GLN  116 - HN    ILE   56  11.94 +/- 2.96   0.040% *  0.3520% (0.80   0.02   0.02) =   0.000%
          HN    ALA  120 - HN    ILE   56  13.94 +/- 1.38   0.011% *  0.1807% (0.41   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE   56  19.70 +/- 1.41   0.001% *  0.3942% (0.90   0.02   0.02) =   0.000%
          HE21  GLN   90 - HZ2   TRP   87  13.92 +/- 1.53   0.017% *  0.0171% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  20.51 +/- 1.35   0.001% *  0.0165% (0.04   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  21.50 +/- 2.52   0.001% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  23.61 +/- 2.02   0.000% *  0.0153% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.10 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.154, support = 5.05, residual support = 124.4:
      O   HA    ILE   56 - HN    ILE   56   2.87 +/- 0.12  99.259% * 95.8570% (0.15  10.0   5.05 124.38) =  99.996%  kept
          HA    PRO   58 - HN    ILE   56   7.30 +/- 0.41   0.399% *  0.5877% (0.95   1.0   0.02   0.02) =   0.002%
          HA    THR   46 - HN    ILE   56   8.22 +/- 0.66   0.219% *  0.4975% (0.80   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    ILE   56  15.52 +/- 1.15   0.005% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87   9.77 +/- 1.29   0.087% *  0.0053% (0.01   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ILE   56  20.77 +/- 1.10   0.001% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ILE   56  16.09 +/- 0.91   0.004% *  0.1229% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  13.29 +/- 1.26   0.012% *  0.0225% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ILE   56  22.38 +/- 0.94   0.000% *  0.5189% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ILE   56  18.59 +/- 1.64   0.002% *  0.1383% (0.22   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  14.26 +/- 1.07   0.008% *  0.0216% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ILE   56  26.44 +/- 2.03   0.000% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ILE   56  29.77 +/- 1.19   0.000% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  19.66 +/- 1.36   0.001% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  20.94 +/- 1.84   0.001% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  20.17 +/- 1.55   0.001% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  21.52 +/- 1.52   0.001% *  0.0255% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  25.00 +/- 2.77   0.000% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  20.78 +/- 1.48   0.001% *  0.0042% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  23.68 +/- 4.18   0.001% *  0.0060% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 5.19, residual support = 33.0:
          HN    ILE   56 - HN    ALA   57   2.62 +/- 0.66  99.555% * 98.5722% (0.98   5.19  33.02) =  99.998%  kept
          HN    LEU   63 - HN    ALA   57   8.98 +/- 0.77   0.342% *  0.3574% (0.92   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HN    ALA   57  11.13 +/- 2.57   0.099% *  0.3473% (0.90   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA   57  20.02 +/- 1.25   0.001% *  0.3473% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   57  20.51 +/- 1.35   0.001% *  0.0678% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   57  22.95 +/- 0.89   0.001% *  0.1195% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   57  30.50 +/- 1.38   0.000% *  0.1885% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.09 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 3.67, residual support = 19.2:
        T HN    PHE   60 - HN    PHE   59   2.79 +/- 0.10  99.753% * 97.7864% (0.47 10.00   3.67  19.15) = 100.000%  kept
        T HN    THR  118 - HN    PHE   59  10.31 +/- 0.87   0.047% *  0.6051% (0.29 10.00   0.02  11.21) =   0.000%
          HN    GLN  116 - HN    PHE   59   8.35 +/- 0.92   0.198% *  0.0282% (0.14  1.00   0.02   0.55) =   0.000%
        T HN    GLU-  15 - HN    PHE   59  18.11 +/- 1.12   0.001% *  1.5803% (0.76 10.00   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.261, support = 4.77, residual support = 56.5:
      O   HA    PHE   59 - HN    PHE   59   2.76 +/- 0.03  73.162% * 86.5231% (0.24  10.0   4.97  58.46) =  95.008%  kept
          HA    ILE   56 - HN    PHE   59   3.40 +/- 0.54  26.801% * 12.4090% (0.69   1.0   0.99  19.84) =   4.991%  kept
          HA    ASP- 113 - HN    PHE   59  10.52 +/- 1.25   0.031% *  0.2514% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    PHE   59  14.05 +/- 1.24   0.005% *  0.2245% (0.62   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   59  20.62 +/- 1.49   0.000% *  0.2778% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    PHE   59  19.31 +/- 1.15   0.001% *  0.0555% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   59  25.87 +/- 1.12   0.000% *  0.2588% (0.71   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 4.48, residual support = 24.3:
      O   HA    ALA   57 - HN    ALA   57   2.81 +/- 0.14  99.885% * 99.2309% (0.76  10.0   4.48  24.31) = 100.000%  kept
          HA1   GLY   51 - HN    ALA   57   9.82 +/- 0.98   0.069% *  0.1273% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   57  10.58 +/- 0.88   0.040% *  0.0683% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   57  15.70 +/- 1.06   0.004% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   57  20.00 +/- 1.06   0.001% *  0.1287% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  20.63 +/- 1.05   0.001% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  23.54 +/- 1.20   0.000% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  22.53 +/- 1.07   0.000% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  29.20 +/- 3.54   0.000% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 407 (4.38, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.991, support = 4.64, residual support = 33.0:
      O   HA    ILE   56 - HN    ALA   57   2.95 +/- 0.30  95.086% * 99.5094% (0.99  10.0   4.64  33.02) =  99.998%  kept
          HA    PRO   58 - HN    ALA   57   4.91 +/- 0.22   4.876% *  0.0342% (0.34   1.0   0.02  25.07) =   0.002%
          HA    ASP- 113 - HN    ALA   57  11.92 +/- 1.19   0.031% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   57  17.43 +/- 1.57   0.003% *  0.1002% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  18.70 +/- 1.23   0.002% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   57  22.72 +/- 1.38   0.001% *  0.0900% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  21.53 +/- 1.06   0.001% *  0.0489% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  27.69 +/- 0.98   0.000% *  0.0984% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  24.35 +/- 2.12   0.000% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 4.73, residual support = 40.6:
        T HN    PHE   60 - HN    ALA   61   2.65 +/- 0.17  99.966% * 97.7864% (0.61 10.00   4.73  40.60) = 100.000%  kept
        T HN    GLU-  15 - HN    ALA   61  14.00 +/- 1.17   0.006% *  1.5803% (0.98 10.00   0.02   0.02) =   0.000%
        T HN    THR  118 - HN    ALA   61  12.37 +/- 0.68   0.011% *  0.6051% (0.38 10.00   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    ALA   61  11.44 +/- 0.94   0.017% *  0.0282% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (7.27, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.553, support = 4.58, residual support = 36.2:
          QD    PHE   60 - HN    ALA   61   3.24 +/- 0.71  79.531% * 49.7837% (0.57   4.77  40.60) =  89.031%  kept
          HN    PHE   59 - HN    ALA   61   4.37 +/- 0.20  17.804% * 24.5967% (0.41   3.24   0.32) =   9.847%  kept
          QE    PHE   59 - HN    ALA   61   6.73 +/- 1.05   1.973% * 25.1661% (0.80   1.70   0.32) =   1.117%  kept
          HN    LYS+  66 - HN    ALA   61   7.75 +/- 0.38   0.690% *  0.3616% (0.98   0.02   0.02) =   0.006%
          HN    LYS+  81 - HN    ALA   61  21.00 +/- 0.97   0.001% *  0.0920% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.743, residual support = 0.741:
          HA    PRO   58 - HN    ALA   61   3.37 +/- 0.27  96.991% * 86.3790% (0.97   0.74   0.74) =  99.965%  kept
          HA    ILE   56 - HN    ALA   61   7.10 +/- 0.62   1.499% *  0.9906% (0.41   0.02   0.02) =   0.018%
          HA    GLN   17 - HN    ALA   61   7.62 +/- 0.96   1.293% *  0.9044% (0.38   0.02   0.02) =   0.014%
          HA    THR   46 - HN    ALA   61  10.35 +/- 0.80   0.139% *  1.0803% (0.45   0.02   0.02) =   0.002%
          HA    GLU-  15 - HN    ALA   61  12.91 +/- 0.96   0.039% *  2.2794% (0.95   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ALA   61  14.23 +/- 1.25   0.020% *  1.2678% (0.53   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   61  18.79 +/- 1.86   0.009% *  2.2794% (0.95   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   61  17.15 +/- 0.76   0.006% *  2.4096% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   61  18.82 +/- 1.25   0.003% *  0.6008% (0.25   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   61  23.00 +/- 0.99   0.001% *  0.9044% (0.38   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   61  23.09 +/- 0.74   0.001% *  0.9044% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.01 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.411, support = 2.0, residual support = 1.96:
          HA    ALA   57 - HN    ALA   61   4.61 +/- 0.62  97.040% * 84.4545% (0.41   2.00   1.96) =  99.938%  kept
          HA    ASP-  44 - HN    ALA   61   8.96 +/- 0.82   2.614% *  1.7832% (0.87   0.02   0.02) =   0.057%
          HA1   GLY   51 - HN    ALA   61  15.08 +/- 1.08   0.086% *  1.4927% (0.73   0.02   0.02) =   0.002%
          HB    THR   77 - HN    ALA   61  17.07 +/- 0.88   0.051% *  1.8976% (0.92   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   61  18.35 +/- 0.93   0.032% *  2.0150% (0.98   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ALA   61  18.46 +/- 0.81   0.031% *  1.7171% (0.84   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ALA   61  19.94 +/- 0.98   0.020% *  1.8436% (0.90   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   61  15.88 +/- 1.37   0.082% *  0.3172% (0.15   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   61  23.78 +/- 3.08   0.009% *  1.7171% (0.84   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   61  23.33 +/- 0.79   0.008% *  1.8976% (0.92   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   61  20.90 +/- 2.61   0.020% *  0.4577% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   61  23.77 +/- 0.89   0.007% *  0.4068% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 3 structures by 0.35 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   2.61 +/- 0.07  99.987% * 99.7221% (0.98 10.00   5.85  42.43) = 100.000%  kept
          HN    ARG+  54 - HN    LEU   63  13.86 +/- 0.50   0.005% *  0.0939% (0.92  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LEU   63  13.07 +/- 0.52   0.007% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LEU   63  19.33 +/- 1.26   0.001% *  0.0962% (0.95  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LEU   63  20.61 +/- 1.30   0.000% *  0.0495% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 6.87, residual support = 54.6:
        T HN    ALA   64 - HN    LEU   63   2.66 +/- 0.17 100.000% *100.0000% (0.97 10.00   6.87  54.64) = 100.000%  kept
    Distance limit 3.33 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 = 4.66, residual support = 28.0:
        T HN    LYS+  65 - HN    ALA   64   2.60 +/- 0.16 100.000% *100.0000% (0.97 10.00   4.66  28.04) = 100.000%  kept
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (7.59, 6.46, 118.53 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.87, residual support = 54.6:
          HN    LEU   63 - HN    ALA   64   2.66 +/- 0.17  99.982% * 99.0107% (0.99   6.87  54.64) = 100.000%  kept
          HN    ILE   56 - HN    ALA   64  12.39 +/- 0.41   0.011% *  0.2753% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ALA   64  16.48 +/- 2.92   0.005% *  0.1765% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   64  19.58 +/- 1.47   0.001% *  0.1765% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   64  18.49 +/- 1.34   0.001% *  0.1196% (0.41   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA   64  21.37 +/- 0.85   0.000% *  0.1765% (0.61   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   64  23.62 +/- 1.86   0.000% *  0.0648% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 4.66, residual support = 28.0:
        T HN    ALA   64 - HN    LYS+  65   2.60 +/- 0.16 100.000% *100.0000% (0.67 10.00   4.66  28.04) = 100.000%  kept
    Distance limit 3.39 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 = 6.14, residual support = 25.1:
          HN    LYS+  66 - HN    LYS+  65   2.49 +/- 0.12  99.542% * 99.3306% (0.68   6.14  25.13) =  99.999%  kept
          QD    PHE   60 - HN    LYS+  65   6.68 +/- 0.71   0.357% *  0.1869% (0.39   0.02   0.02) =   0.001%
          QE    PHE   59 - HN    LYS+  65   8.93 +/- 0.67   0.053% *  0.2644% (0.55   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+  65   8.96 +/- 0.32   0.048% *  0.1357% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    LYS+  65  24.52 +/- 0.77   0.000% *  0.0823% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 1.02, residual support = 3.81:
          HA    ASP-  62 - HN    LYS+  65   3.46 +/- 0.28  99.976% * 96.3021% (0.67   1.02   3.81) = 100.000%  kept
          HA    SER  117 - HN    LYS+  65  15.17 +/- 1.11   0.019% *  1.4189% (0.50   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LYS+  65  18.69 +/- 1.19   0.005% *  1.9368% (0.68   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LYS+  65  27.21 +/- 0.92   0.000% *  0.3422% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 6.14, residual support = 25.1:
        T HN    LYS+  65 - HN    LYS+  66   2.49 +/- 0.12 100.000% *100.0000% (0.97 10.00   6.14  25.13) = 100.000%  kept
    Distance limit 3.17 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 = 5.04, residual support = 113.3:
      O   HA    LYS+  66 - HN    LYS+  66   2.90 +/- 0.03  99.999% * 99.9389% (0.97  10.0   5.04 113.34) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  22.40 +/- 1.29   0.001% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  26.23 +/- 1.03   0.000% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 421 (6.95, 7.34, 119.88 ppm):
    2 chemical-shift based assignments, quality = 0.0762, support = 3.01, residual support = 50.4:
          HD22  ASN   28 - HE3   TRP   27   4.99 +/- 0.30  99.984% * 94.9866% (0.08   3.01  50.42) =  99.999%  kept
          HD22  ASN   28 - HN    LEU   67  21.52 +/- 0.56   0.016% *  5.0134% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.38 A violated in 3 structures by 0.61 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.02, residual support = 62.3:
      O   HA    LEU   67 - HN    LEU   67   2.65 +/- 0.29  99.928% * 99.9623% (1.00  10.0   6.02  62.34) = 100.000%  kept
          HA    ASP-  76 - HE3   TRP   27   9.47 +/- 1.40   0.070% *  0.0028% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HN    LEU   67  19.59 +/- 0.54   0.001% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  17.86 +/- 1.23   0.001% *  0.0126% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 11.1:
      O   HA    LYS+  66 - HN    LEU   67   3.50 +/- 0.10  99.839% * 99.9186% (0.97  10.0   4.56  11.09) = 100.000%  kept
          HA    LYS+  81 - HE3   TRP   27  11.37 +/- 1.84   0.144% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   67  20.41 +/- 1.22   0.003% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  16.81 +/- 1.96   0.011% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LYS+  66 - HE3   TRP   27  20.83 +/- 0.85   0.002% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  26.06 +/- 0.82   0.001% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 424 (7.97, 8.82, 114.58 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 26.1:
        T HN    VAL   70 - HN    ASN   69   2.59 +/- 0.66  99.994% * 99.9644% (0.87 10.00   5.26  26.13) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  15.30 +/- 1.35   0.006% *  0.0356% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.08 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.37, residual support = 59.6:
      O   HA    ASN   69 - HN    ASN   69   2.71 +/- 0.27  99.994% * 99.8231% (0.76  10.0   5.37  59.58) = 100.000%  kept
          HA    VAL   43 - HN    ASN   69  14.04 +/- 0.69   0.006% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASN   69  21.64 +/- 0.75   0.000% *  0.1133% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 3.23, residual support = 59.6:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00  99.999% * 99.9103% (0.52  10.0 10.00   3.23  59.58) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  13.25 +/- 1.89   0.001% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  29.33 +/- 1.31   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 = 3.23, residual support = 59.6:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  99.999% * 99.7566% (0.52  10.0   3.23  59.58) = 100.000%  kept
          HN    GLN   17 - HD22  ASN   69  13.24 +/- 1.77   0.001% *  0.1078% (0.56   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HD22  ASN   69  24.45 +/- 1.94   0.000% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  21.21 +/- 2.53   0.000% *  0.0334% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 2.52 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 = 2.03, residual support = 42.5:
          QE    PHE   72 - HN    VAL   70   3.84 +/- 0.56  99.989% * 97.8952% (0.45   2.03  42.46) = 100.000%  kept
          HD22  ASN   28 - HN    VAL   70  18.81 +/- 0.59   0.011% *  2.1048% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.07 A, kept.
 
    Peak 429 (8.83, 7.98, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 26.1:
        T HN    ASN   69 - HN    VAL   70   2.59 +/- 0.66  99.985% * 99.9392% (0.87 10.00   5.26  26.13) = 100.000%  kept
          HN    GLY  101 - HN    VAL   70  14.28 +/- 1.15   0.012% *  0.0287% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ASN   28 - HN    VAL   70  17.85 +/- 1.01   0.003% *  0.0320% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.10 A, kept.
 
    Peak 430 (4.73, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.06, residual support = 1.06:
          HA    PRO   68 - HN    VAL   70   4.19 +/- 0.46 100.000% *100.0000% (0.99   1.06   1.06) = 100.000%  kept
    Distance limit 4.21 A violated in 0 structures by 0.20 A, kept.
 
    Peak 431 (4.00, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 3.89, residual support = 81.5:
      O   HA    VAL   70 - HN    VAL   70   2.92 +/- 0.02  99.727% * 99.2525% (0.84  10.0   3.89  81.45) = 100.000%  kept
          HA    VAL   18 - HN    VAL   70   9.42 +/- 0.88   0.111% *  0.1147% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   70   9.27 +/- 1.15   0.134% *  0.0235% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   70  13.49 +/- 1.52   0.013% *  0.1186% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   70  15.32 +/- 2.77   0.008% *  0.0993% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   70  17.70 +/- 1.17   0.002% *  0.1165% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   70  16.18 +/- 1.28   0.004% *  0.0367% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  25.79 +/- 1.11   0.000% *  0.1097% (0.92   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    VAL   70  24.91 +/- 1.20   0.000% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    VAL   70  26.58 +/- 0.98   0.000% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   70  24.47 +/- 1.21   0.000% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 6.6, residual support = 138.0:
      O   HA    LEU   71 - HN    LEU   71   2.89 +/- 0.01  99.801% * 99.9402% (1.00  10.0   6.60 137.99) = 100.000%  kept
          HA    VAL   43 - HN    LEU   71   8.37 +/- 0.54   0.187% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LEU   71  13.11 +/- 0.52   0.012% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.01, 8.15, 128.27 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.39, residual support = 33.0:
      O   HA    VAL   70 - HN    LEU   71   2.26 +/- 0.02  99.871% * 99.5202% (1.00  10.0   5.39  32.99) = 100.000%  kept
          HB2   SER   37 - HN    LEU   71   7.99 +/- 0.63   0.059% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   71   9.02 +/- 0.69   0.027% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   71  10.77 +/- 0.98   0.010% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LEU   71  10.30 +/- 2.13   0.030% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   71  14.09 +/- 0.85   0.002% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   71  16.20 +/- 2.51   0.001% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  21.86 +/- 1.12   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  23.13 +/- 0.99   0.000% *  0.0248% (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 434 (4.88, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.3, residual support = 4.48:
          HA    VAL   41 - HN    LEU   71   4.03 +/- 0.52  98.900% * 98.7923% (1.00   2.30   4.48) =  99.992%  kept
          HA    HIS  122 - HN    LEU   71  11.60 +/- 4.19   1.050% *  0.7198% (0.84   0.02   0.02) =   0.008%
          HA    PHE   45 - HN    LEU   71  14.68 +/- 0.58   0.050% *  0.4879% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 3 structures by 0.23 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.606, support = 3.15, residual support = 5.95:
          HN    VAL   42 - HN    LEU   71   4.05 +/- 0.51  94.085% * 84.2909% (0.61   3.18   6.01) =  99.054%  kept
          HN    LEU   73 - HN    LEU   71   6.77 +/- 0.21   5.047% * 14.8517% (0.61   0.56   0.02) =   0.936%  kept
          HN    ILE   19 - HN    LEU   71   9.27 +/- 0.89   0.867% *  0.8574% (0.98   0.02   0.02) =   0.009%
    Distance limit 4.47 A violated in 0 structures by 0.03 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 5.55, residual support = 90.9:
          QD    PHE   72 - HN    PHE   72   2.84 +/- 0.26  99.906% * 98.9077% (0.45   5.55  90.91) =  99.999%  kept
          HD22  ASN   69 - HN    PHE   72   9.82 +/- 0.81   0.069% *  0.5777% (0.73   0.02   0.02) =   0.000%
          QE    PHE   45 - HN    PHE   72  11.60 +/- 0.55   0.026% *  0.5146% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 90.9:
      O   HA    PHE   72 - HN    PHE   72   2.92 +/- 0.02 100.000% *100.0000% (0.53  10.0   5.14  90.91) = 100.000%  kept
    Distance limit 4.13 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 = 5.46, residual support = 20.2:
      O   HA    LEU   71 - HN    PHE   72   2.19 +/- 0.02  99.904% * 99.9402% (1.00  10.0   5.46  20.20) = 100.000%  kept
          HA    VAL   43 - HN    PHE   72   7.35 +/- 0.50   0.077% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    PHE   72   9.31 +/- 0.65   0.019% *  0.0375% (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 439 (4.83, 9.36, 127.59 ppm):
    5 chemical-shift based assignments, quality = 0.549, support = 0.02, residual support = 0.02:
          HA    THR   23 - HN    PHE   72  14.19 +/- 1.08  28.184% * 29.8815% (0.73   0.02   0.02) =  55.524%  kept
          HA    PHE   45 - HN    PHE   72  12.83 +/- 0.45  49.434% *  7.2068% (0.18   0.02   0.02) =  23.488%  kept
          HB    THR   23 - HN    PHE   72  16.06 +/- 0.89  12.844% *  9.1616% (0.22   0.02   0.02) =   7.758%  kept
          HA    ASP-  78 - HN    PHE   72  20.96 +/- 0.20   2.601% * 39.7133% (0.97   0.02   0.02) =   6.809%  kept
          HA    LEU   80 - HN    PHE   72  17.83 +/- 0.49   6.938% * 14.0368% (0.34   0.02   0.02) =   6.420%  kept
    Distance limit 4.34 A violated in 20 structures by 7.03 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.484, support = 1.07, residual support = 1.2:
          QE    PHE   60 - HN    LEU   73   4.70 +/- 1.61  92.176% * 85.5987% (0.49   1.08   1.20) =  99.455%  kept
          HN    LEU   63 - HN    LEU   73  10.04 +/- 0.79   4.999% *  6.9675% (0.41   0.10   0.02) =   0.439%
          HD21  ASN   28 - HN    LEU   73  11.44 +/- 1.25   1.339% *  3.1959% (0.98   0.02   0.62) =   0.054%
          HZ2   TRP   87 - HN    LEU   73  11.28 +/- 1.19   1.178% *  3.2316% (0.99   0.02   0.02) =   0.048%
          HN    ILE   56 - HN    LEU   73  15.06 +/- 0.90   0.307% *  1.0063% (0.31   0.02   0.02) =   0.004%
    Distance limit 4.46 A violated in 6 structures by 0.78 A, kept.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.4, residual support = 171.5:
      O   HA    LEU   73 - HN    LEU   73   2.93 +/- 0.01 100.000% *100.0000% (0.95  10.0   6.40 171.48) = 100.000%  kept
    Distance limit 3.77 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 = 41.0:
      O   HA    PHE   72 - HN    LEU   73   2.21 +/- 0.03 100.000% *100.0000% (0.53  10.0   5.16  40.99) = 100.000%  kept
    Distance limit 3.00 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 = 0.532, support = 3.72, residual support = 8.19:
          HA    VAL   43 - HN    LEU   73   3.27 +/- 0.62  94.370% * 69.2854% (0.53   3.78   8.35) =  98.088%  kept
          HA    LEU   71 - HN    LEU   73   5.92 +/- 0.15   4.202% * 30.2883% (0.84   1.04   0.02) =   1.909%  kept
          HA    ALA   20 - HN    LEU   73   7.27 +/- 0.47   1.284% *  0.0944% (0.14   0.02   0.02) =   0.002%
          HA    ASN   69 - HN    LEU   73  11.74 +/- 0.25   0.069% *  0.1939% (0.28   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    LEU   73  11.60 +/- 0.93   0.075% *  0.1380% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 4.16, residual support = 13.1:
        T HN    CYS   21 - HN    LYS+  74   2.89 +/- 1.06  99.881% * 95.8247% (0.12 10.00   4.16  13.13) =  99.999%  kept
        T HN    ILE  119 - HN    LYS+  74  17.73 +/- 1.27   0.013% *  3.0978% (0.40 10.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    LYS+  74  15.56 +/- 1.08   0.048% *  0.4381% (0.57  1.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    LYS+  74  16.04 +/- 0.75   0.034% *  0.5176% (0.67  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LYS+  74  16.68 +/- 0.66   0.024% *  0.1218% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 1 structures by 0.15 A, kept.
 
    Peak 445 (8.94, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.567, support = 4.07, residual support = 16.9:
        T HN    ILE   19 - HN    LYS+  74   4.48 +/- 0.81  49.983% * 72.8253% (0.54 10.00   3.25   8.27) =  73.420%  kept
          HN    LEU   73 - HN    LYS+  74   4.44 +/- 0.03  48.676% * 27.0704% (0.64  1.00   6.34  40.69) =  26.578%  kept
          HN    VAL   42 - HN    LYS+  74   8.22 +/- 0.51   1.325% *  0.0855% (0.64  1.00   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HN    LYS+  74  17.38 +/- 0.87   0.016% *  0.0189% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 5.64, residual support = 40.7:
      O   HA    LEU   73 - HN    LYS+  74   2.39 +/- 0.10 100.000% *100.0000% (0.68  10.0   5.64  40.69) = 100.000%  kept
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (4.90, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.197, support = 6.11, residual support = 187.6:
      O   HA    LYS+  74 - HN    LYS+  74   2.93 +/- 0.01  99.916% * 99.4309% (0.20  10.0   6.11 187.57) = 100.000%  kept
          HA    VAL   41 - HN    LYS+  74   9.77 +/- 0.52   0.077% *  0.0708% (0.14   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LYS+  74  15.60 +/- 1.11   0.005% *  0.3102% (0.61   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    LYS+  74  19.03 +/- 2.55   0.002% *  0.1882% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 3.73, residual support = 8.75:
          HA    ALA   20 - HN    LYS+  74   3.33 +/- 0.49  99.670% * 99.7086% (0.68   3.73   8.75) =  99.999%  kept
          HA    LEU   71 - HN    LYS+  74   9.03 +/- 0.16   0.330% *  0.2914% (0.37   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.05 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 5.88, residual support = 31.1:
      O   HA    LYS+  74 - HN    VAL   75   2.23 +/- 0.04  99.992% * 99.7992% (0.61  10.0   5.88  31.08) = 100.000%  kept
          HA    MET   92 - HN    VAL   75  11.26 +/- 1.06   0.008% *  0.1642% (1.00   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    VAL   75  19.41 +/- 2.30   0.000% *  0.0366% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 3.76, residual support = 36.1:
      O   HA    ASP-  76 - HN    ASP-  76   2.89 +/- 0.03  99.999% * 99.5538% (0.22  10.0   3.76  36.07) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  76  20.46 +/- 1.10   0.001% *  0.4462% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 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  99.949% * 99.5919% (0.65  10.0   3.97  15.34) = 100.000%  kept
          HA    LYS+ 111 - HN    VAL  108   8.22 +/- 0.91   0.046% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  108  13.66 +/- 1.71   0.003% *  0.1058% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  108  13.38 +/- 1.73   0.003% *  0.1233% (0.80   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  20.33 +/- 1.14   0.000% *  0.1486% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 5.39, residual support = 28.5:
        T HN    ASP-  78 - HN    THR   77   2.72 +/- 0.11  99.056% * 99.9203% (0.98 10.00   5.39  28.51) =  99.999%  kept
          HN    VAL   75 - HN    THR   77   5.95 +/- 0.15   0.942% *  0.0618% (0.61  1.00   0.02   0.34) =   0.001%
          HN    LYS+ 112 - HN    THR   77  18.75 +/- 2.35   0.002% *  0.0179% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 5.39, residual support = 28.5:
        T HN    THR   77 - HN    ASP-  78   2.72 +/- 0.11 100.000% *100.0000% (1.00 10.00   5.39  28.51) = 100.000%  kept
    Distance limit 3.66 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 = 3.77, residual support = 16.0:
        T HN    GLU-  79 - HN    ASP-  78   2.44 +/- 0.08  99.978% * 99.9158% (0.99 10.00   3.77  16.03) = 100.000%  kept
          HN    THR   94 - HN    ASP-  78  10.36 +/- 0.97   0.022% *  0.0842% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 3.77, residual support = 16.0:
        T HN    ASP-  78 - HN    GLU-  79   2.44 +/- 0.08  99.920% * 99.9001% (0.56 10.00   3.77  16.03) = 100.000%  kept
          HN    VAL   75 - HN    GLU-  79   8.06 +/- 0.22   0.080% *  0.0999% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 4.27, residual support = 54.2:
      O   HA    GLU-  79 - HN    GLU-  79   2.89 +/- 0.02  97.637% * 99.4285% (0.60  10.0   4.27  54.20) =  99.999%  kept
          HB    THR   77 - HN    GLU-  79   5.44 +/- 0.26   2.311% *  0.0608% (0.37   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    GLU-  79  11.69 +/- 0.47   0.023% *  0.0608% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLU-  79  12.15 +/- 0.49   0.018% *  0.0528% (0.32   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    GLU-  79  15.58 +/- 1.62   0.005% *  0.0983% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    GLU-  79  15.50 +/- 1.14   0.005% *  0.0767% (0.47   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLU-  79  20.08 +/- 1.09   0.001% *  0.0728% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  24.87 +/- 0.44   0.000% *  0.1003% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  28.23 +/- 4.03   0.000% *  0.0488% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 3.77, residual support = 16.0:
      O   HA    ASP-  78 - HN    GLU-  79   3.50 +/- 0.08  99.200% * 98.7485% (0.08  10.0   3.77  16.03) =  99.994%  kept
          HA    PHE   45 - HN    GLU-  79   8.00 +/- 0.65   0.795% *  0.7232% (0.60   1.0   0.02   0.02) =   0.006%
          HA    VAL   41 - HN    GLU-  79  18.40 +/- 0.46   0.005% *  0.3839% (0.32   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    GLU-  79  26.88 +/- 2.21   0.001% *  0.1444% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.59 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  10.79) = 100.000%  kept
          HA    LEU   67 - HN    THR   77  22.06 +/- 0.99   0.000% *  0.1646% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 0.565, support = 1.22, residual support = 2.44:
          HA    ALA   47 - HN    THR   77   4.96 +/- 1.67  92.353% * 88.9734% (0.57   1.22   2.44) =  99.800%  kept
          HA    CYS   50 - HN    THR   77   9.20 +/- 1.65   3.435% *  2.5200% (0.98   0.02   0.02) =   0.105%
          HA    CYS   21 - HN    THR   77  12.06 +/- 0.70   2.432% *  1.7660% (0.69   0.02   0.02) =   0.052%
          HA    TRP   49 - HN    THR   77  10.65 +/- 1.44   1.196% *  2.2301% (0.87   0.02   0.02) =   0.032%
          HA    VAL  108 - HN    THR   77  14.13 +/- 1.87   0.374% *  1.1526% (0.45   0.02   0.02) =   0.005%
          HA1   GLY  109 - HN    THR   77  16.99 +/- 1.78   0.129% *  2.4811% (0.97   0.02   0.02) =   0.004%
          HA    LYS+ 102 - HN    THR   77  20.29 +/- 1.47   0.081% *  0.8769% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.34 A violated in 6 structures by 0.86 A, kept.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.256, support = 1.21, residual support = 11.8:
          HA    THR   46 - HN    THR   77   5.64 +/- 1.05  75.138% * 80.8907% (0.25   1.22  11.98) =  98.532%  kept
          HA    GLN   90 - HN    THR   77   7.28 +/- 1.22  24.216% *  3.6409% (0.69   0.02   0.02) =   1.429%  kept
          HA    VAL   42 - HN    THR   77  14.33 +/- 0.61   0.259% *  4.5978% (0.87   0.02   0.02) =   0.019%
          HA    ALA  110 - HN    THR   77  16.26 +/- 3.02   0.190% *  3.0009% (0.57   0.02   0.02) =   0.009%
          HA    PHE   55 - HN    THR   77  16.31 +/- 1.10   0.111% *  4.5978% (0.87   0.02   0.02) =   0.008%
          HA    GLN   17 - HN    THR   77  17.60 +/- 1.08   0.079% *  1.6360% (0.31   0.02   0.02) =   0.002%
          HA    SER   37 - HN    THR   77  26.61 +/- 0.52   0.006% *  1.6360% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 11 structures by 0.92 A, kept.
 
    Peak 463 (4.29, 9.27, 119.07 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.03, residual support = 37.8:
      O   HB    THR   77 - HN    THR   77   3.48 +/- 0.02  97.892% * 99.1602% (0.76  10.0   4.03  37.79) =  99.999%  kept
          HA    GLU-  79 - HN    THR   77   6.95 +/- 0.16   1.551% *  0.0361% (0.28   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    THR   77   8.89 +/- 0.56   0.382% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   77  11.28 +/- 0.43   0.086% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    THR   77  13.34 +/- 0.54   0.032% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   77  12.89 +/- 1.49   0.047% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    THR   77  17.80 +/- 1.17   0.006% *  0.0839% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    THR   77  22.92 +/- 1.57   0.001% *  0.0942% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  21.23 +/- 1.00   0.002% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    THR   77  26.28 +/- 3.10   0.001% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   77  28.52 +/- 3.57   0.001% *  0.1126% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  23.32 +/- 0.39   0.001% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (8.07, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 5.14, residual support = 31.0:
        T HN    LEU   80 - HN    LYS+  81   3.65 +/- 0.19  96.619% * 98.5772% (0.65 10.00   5.14  30.99) =  99.998%  kept
          HN    SER   85 - HN    LYS+  81   6.46 +/- 0.23   3.361% *  0.0683% (0.45  1.00   0.02   0.02) =   0.002%
        T HN    ALA   34 - HN    LYS+  81  20.38 +/- 0.79   0.003% *  1.1646% (0.76 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    LYS+  81  18.05 +/- 0.83   0.007% *  0.1273% (0.84  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  81  17.27 +/- 1.44   0.010% *  0.0626% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 4.47, residual support = 19.1:
        T HN    SER   82 - HN    LYS+  81   2.64 +/- 0.14  99.945% * 99.8569% (1.00 10.00   4.47  19.09) = 100.000%  kept
          HN    GLN   90 - HN    LYS+  81   9.57 +/- 1.15   0.054% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  20.10 +/- 1.68   0.001% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    LYS+  81  24.63 +/- 1.30   0.000% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  27.22 +/- 1.36   0.000% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 5.31, residual support = 31.0:
      O   HA    LEU   80 - HN    LYS+  81   2.58 +/- 0.10  97.872% * 99.6041% (0.69  10.0   5.31  30.99) =  99.997%  kept
          HA    ASP-  78 - HN    LYS+  81   5.47 +/- 0.52   1.480% *  0.1372% (0.95   1.0   0.02   0.83) =   0.002%
          HA    THR   23 - HN    LYS+  81   7.28 +/- 0.82   0.274% *  0.1421% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+  81   7.32 +/- 1.22   0.375% *  0.0763% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LYS+  81  22.97 +/- 1.17   0.000% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 5.29, residual support = 107.4:
      O   HA    LYS+  81 - HN    LYS+  81   2.79 +/- 0.06  99.991% * 99.7055% (0.99  10.0   5.29 107.43) = 100.000%  kept
          HA    ASN   28 - HN    LYS+  81  13.57 +/- 0.70   0.008% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  81  20.15 +/- 1.35   0.001% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  26.43 +/- 0.81   0.000% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  23.47 +/- 1.39   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  34.13 +/- 2.63   0.000% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.17, 8.64, 114.33 ppm):
    6 chemical-shift based assignments, quality = 0.249, support = 4.2, residual support = 34.9:
      O   HA    SER   82 - HN    SER   82   2.78 +/- 0.04  99.939% * 98.7108% (0.25  10.0   4.20  34.86) = 100.000%  kept
          HA    GLU-  25 - HN    SER   82  10.14 +/- 0.93   0.050% *  0.3170% (0.80   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    SER   82  13.49 +/- 0.99   0.009% *  0.1486% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    SER   82  18.56 +/- 1.34   0.001% *  0.3820% (0.97   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    SER   82  19.07 +/- 1.31   0.001% *  0.3880% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    SER   82  27.06 +/- 1.46   0.000% *  0.0536% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.2, support = 0.02, residual support = 0.02:
          HB    THR   23 - HN    SER   82   8.31 +/- 1.22  99.601% * 32.4951% (0.20   0.02   0.02) =  99.175%  kept
          HA    ASP- 105 - HN    SER   82  22.34 +/- 1.31   0.399% * 67.5049% (0.41   0.02   0.02) =   0.825%  kept
    Distance limit 4.22 A violated in 20 structures by 4.08 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 = 20.1:
        T HN    VAL   83 - HN    SER   82   2.68 +/- 0.11  99.998% * 99.9274% (1.00 10.00   5.62  20.14) = 100.000%  kept
          HN    CYS   50 - HN    SER   82  16.54 +/- 1.20   0.002% *  0.0726% (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 472 (7.29, 8.64, 114.33 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.47, residual support = 19.1:
          HN    LYS+  81 - HN    SER   82   2.64 +/- 0.14  99.948% * 99.3291% (1.00   4.47  19.09) = 100.000%  kept
          HE3   TRP   27 - HN    SER   82  10.35 +/- 1.74   0.050% *  0.0991% (0.22   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    SER   82  17.19 +/- 0.95   0.002% *  0.3564% (0.80   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  22.26 +/- 1.70   0.000% *  0.0780% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    SER   82  27.05 +/- 0.98   0.000% *  0.1374% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 43.7:
        T HN    ALA   84 - HN    VAL   83   2.62 +/- 0.06  99.998% * 99.6823% (0.75 10.00   7.60  43.70) = 100.000%  kept
          HE21  GLN   32 - HN    VAL   83  19.35 +/- 1.88   0.001% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  21.03 +/- 1.48   0.000% *  0.0730% (0.55  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    VAL   83  22.62 +/- 2.27   0.000% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  22.67 +/- 1.18   0.000% *  0.0610% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 20.1:
        T HN    SER   82 - HN    VAL   83   2.68 +/- 0.11  99.916% * 99.8569% (0.75 10.00   5.62  20.14) = 100.000%  kept
          HN    GLN   90 - HN    VAL   83   9.01 +/- 1.01   0.082% *  0.0375% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    VAL   83  16.20 +/- 1.65   0.002% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    VAL   83  23.84 +/- 1.54   0.000% *  0.0525% (0.40  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  25.63 +/- 1.51   0.000% *  0.0308% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 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   2.76 +/- 0.09  99.971% * 99.8725% (0.99 10.00   3.77  20.73) = 100.000%  kept
          HN    THR   94 - HN    ALA   84  11.29 +/- 1.12   0.026% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ALA   84  17.14 +/- 1.09   0.002% *  0.0874% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  19.08 +/- 0.91   0.001% *  0.0176% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 43.7:
        T HN    VAL   83 - HN    ALA   84   2.62 +/- 0.06  99.996% * 99.9274% (1.00 10.00   7.60  43.70) = 100.000%  kept
          HN    CYS   50 - HN    ALA   84  14.89 +/- 1.34   0.004% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 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   3.29 +/- 0.24  99.947% * 95.7046% (0.80   2.26   5.56) = 100.000%  kept
          HA    ASN   28 - HN    ALA   84  12.57 +/- 1.01   0.040% *  0.5139% (0.49   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   84  19.72 +/- 1.48   0.002% *  1.0189% (0.97   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   84  18.10 +/- 3.23   0.007% *  0.1849% (0.18   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   84  20.60 +/- 1.44   0.002% *  0.4733% (0.45   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA   84  20.76 +/- 0.84   0.002% *  0.3259% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   84  25.12 +/- 1.01   0.001% *  0.7252% (0.69   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   84  31.53 +/- 2.77   0.000% *  1.0534% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 0.402, support = 0.02, residual support = 0.02:
          HA    GLU-  25 - HN    VAL   83   9.54 +/- 1.03  76.304% * 13.1508% (0.34   0.02   0.02) =  68.573%  kept
          HA    THR   26 - HN    VAL   83  12.54 +/- 1.03  15.125% * 21.2999% (0.55   0.02   0.02) =  22.016%  kept
          HA    CYS   53 - HN    VAL   83  18.11 +/- 1.48   2.283% * 27.0775% (0.70   0.02   0.02) =   4.225%  kept
          HA    ILE   19 - HN    VAL   83  17.47 +/- 1.27   2.248% * 20.1488% (0.52   0.02   0.02) =   3.095%  kept
          HA1   GLY  101 - HN    VAL   83  17.35 +/- 3.22   3.753% *  7.3142% (0.19   0.02   0.02) =   1.876%  kept
          HA    GLU- 114 - HN    VAL   83  25.14 +/- 1.54   0.287% * 11.0089% (0.28   0.02   0.02) =   0.216%
    Distance limit 4.22 A violated in 20 structures by 4.89 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   4.27 +/- 0.08  82.642% * 99.5391% (0.58 10.00   2.60   5.20) =  99.991%  kept
          HN    LEU   80 - HN    VAL   83   5.57 +/- 0.25  17.284% *  0.0444% (0.26  1.00   0.02   0.02) =   0.009%
          HN    GLN   32 - HN    VAL   83  15.36 +/- 1.06   0.042% *  0.1300% (0.75  1.00   0.02   0.02) =   0.000%
        T HN    CYS   53 - HN    VAL   83  18.25 +/- 1.45   0.015% *  0.2281% (0.13 10.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    VAL   83  17.69 +/- 0.95   0.017% *  0.0584% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.02 A, kept.
 
    Peak 480 (8.63, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.34, residual support = 11.0:
          HN    SER   82 - HN    ALA   84   3.82 +/- 0.12  93.768% * 99.2505% (0.87   4.34  11.04) =  99.976%  kept
          HN    GLN   90 - HN    ALA   84   6.46 +/- 1.02   6.211% *  0.3618% (0.69   0.02   0.02) =   0.024%
          HN    ILE  103 - HN    ALA   84  16.15 +/- 1.77   0.020% *  0.2564% (0.49   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    ALA   84  24.33 +/- 1.23   0.002% *  0.1313% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.43 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   2.42 +/- 0.08  99.997% * 97.4562% (0.80   3.33  13.43) = 100.000%  kept
          HN    GLN   30 - HN    SER   85  16.61 +/- 1.18   0.001% *  0.6335% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    SER   85  15.95 +/- 1.21   0.001% *  0.2741% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    SER   85  19.21 +/- 1.99   0.001% *  0.4724% (0.65   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    SER   85  24.39 +/- 4.05   0.000% *  0.5303% (0.73   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    SER   85  28.95 +/- 1.62   0.000% *  0.6335% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.32 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   2.76 +/- 0.09  99.870% * 97.8189% (0.90   3.77  20.73) = 100.000%  kept
          HZ2   TRP   87 - HN    SER   85   8.83 +/- 0.44   0.101% *  0.1013% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    SER   85  11.64 +/- 1.69   0.027% *  0.1785% (0.31   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    SER   85  21.12 +/- 1.30   0.001% *  0.5670% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    SER   85  21.55 +/- 1.73   0.000% *  0.5188% (0.90   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    SER   85  24.09 +/- 0.92   0.000% *  0.5340% (0.92   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    SER   85  22.74 +/- 2.13   0.000% *  0.2816% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.31 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   4.27 +/- 0.08  99.963% * 99.9526% (0.87 10.00   2.60   5.20) = 100.000%  kept
          HN    CYS   50 - HN    SER   85  16.54 +/- 1.51   0.037% *  0.0474% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.19 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   2.83 +/- 0.02  96.051% * 99.3023% (0.99  10.0   3.65  18.15) =  99.998%  kept
          HA    ASP-  86 - HN    SER   85   4.90 +/- 0.08   3.585% *  0.0449% (0.45   1.0   0.02  13.43) =   0.002%
          HB    THR   77 - HN    SER   85   7.53 +/- 0.60   0.307% *  0.0993% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    SER   85  10.18 +/- 0.26   0.045% *  0.0608% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    SER   85  14.07 +/- 0.51   0.007% *  0.1002% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    SER   85  16.42 +/- 1.82   0.003% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  20.33 +/- 1.53   0.001% *  0.0412% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  20.25 +/- 1.34   0.001% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  24.90 +/- 0.99   0.000% *  0.0527% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  33.34 +/- 3.46   0.000% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  29.22 +/- 1.79   0.000% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  31.70 +/- 3.12   0.000% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 485 (4.15, 8.05, 111.48 ppm):
    9 chemical-shift based assignments, quality = 0.549, support = 0.02, residual support = 0.02:
          HA    THR   26 - HN    SER   85  16.53 +/- 1.11  10.687% * 23.1039% (0.98   0.02   0.02) =  29.502%  kept
          HA    ASN   28 - HN    SER   85  14.00 +/- 1.27  29.488% *  5.2476% (0.22   0.02   0.02) =  18.490%  kept
          HA    GLU-  25 - HN    SER   85  13.50 +/- 1.18  36.353% *  4.1279% (0.18   0.02   0.02) =  17.931%  kept
          HA    CYS   53 - HN    SER   85  18.13 +/- 1.35   7.516% * 14.2963% (0.61   0.02   0.02) =  12.840%  kept
          HA1   GLY  101 - HN    SER   85  18.58 +/- 3.34   7.939% * 13.3446% (0.57   0.02   0.02) =  12.659%  kept
          HA    ILE   19 - HN    SER   85  20.65 +/- 1.18   2.931% *  8.0401% (0.34   0.02   0.02) =   2.816%  kept
          HA    GLU- 114 - HN    SER   85  24.42 +/- 1.55   1.164% * 17.1158% (0.73   0.02   0.02) =   2.381%  kept
          HA    ALA   34 - HN    SER   85  22.32 +/- 1.10   1.769% *  8.8463% (0.38   0.02   0.02) =   1.870%  kept
          HA    LEU  115 - HN    SER   85  21.84 +/- 1.40   2.152% *  5.8774% (0.25   0.02   0.02) =   1.511%  kept
    Distance limit 3.79 A violated in 20 structures by 7.56 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   2.42 +/- 0.08  99.993% * 99.7141% (0.99 10.00   3.33  13.43) = 100.000%  kept
          HN    THR   94 - HN    ASP-  86  12.84 +/- 0.96   0.005% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  17.14 +/- 1.58   0.001% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
        T HN    ALA   34 - HN    ASP-  86  19.14 +/- 1.35   0.000% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
    Distance limit 3.44 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   2.75 +/- 0.07  99.646% * 98.7385% (0.95   3.69  22.49) =  99.999%  kept
          HE3   TRP   87 - HN    ASP-  86   7.07 +/- 0.27   0.354% *  0.1746% (0.31   0.02  22.49) =   0.001%
          HN    GLN   17 - HN    ASP-  86  24.95 +/- 1.19   0.000% *  0.5646% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - HN    ASP-  86  25.94 +/- 1.84   0.000% *  0.5223% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 40.6:
      O   HA    ASP-  86 - HN    ASP-  86   2.73 +/- 0.02  81.133% * 84.6024% (0.87  10.0   4.05  41.62) =  96.357%  kept
      O   HA    SER   85 - HN    ASP-  86   3.53 +/- 0.01  17.239% * 15.0488% (0.15  10.0   3.27  13.43) =   3.642%  kept
          HA    TRP   87 - HN    ASP-  86   5.27 +/- 0.05   1.554% *  0.0271% (0.28   1.0   0.02  22.49) =   0.001%
          HB    THR   77 - HN    ASP-  86   9.04 +/- 0.62   0.066% *  0.0150% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  13.61 +/- 0.55   0.005% *  0.0193% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  86  18.34 +/- 1.86   0.001% *  0.0941% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  28.81 +/- 1.91   0.000% *  0.0900% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  31.24 +/- 3.14   0.000% *  0.0815% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  32.80 +/- 3.44   0.000% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 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   2.75 +/- 0.07  99.989% * 98.4310% (1.00   3.69  22.49) = 100.000%  kept
          HN    GLN   30 - HN    TRP   87  15.97 +/- 1.32   0.003% *  0.5336% (1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    TRP   87  15.88 +/- 1.32   0.003% *  0.3883% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    TRP   87  15.64 +/- 2.24   0.004% *  0.1651% (0.31   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    TRP   87  21.16 +/- 4.52   0.001% *  0.2007% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    TRP   87  28.22 +/- 1.70   0.000% *  0.2813% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.849, support = 4.1, residual support = 70.2:
      O   HA    TRP   87 - HN    TRP   87   2.94 +/- 0.00  77.712% * 78.1363% (0.90  10.0   4.16  74.03) =  92.616%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.62 +/- 0.01  22.284% * 21.7248% (0.25  10.0   3.39  22.49) =   7.384%  kept
          HA    LEU  104 - HN    TRP   87  16.22 +/- 1.93   0.003% *  0.0598% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  22.26 +/- 1.14   0.000% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  28.48 +/- 1.89   0.000% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  31.24 +/- 2.97   0.000% *  0.0194% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (7.73, 10.56, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 1.88, residual support = 74.0:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  98.685% * 98.5314% (0.28  10.0   1.88  74.03) =  99.996%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   1.227% *  0.2743% (0.73   1.0   0.02  74.03) =   0.003%
          HN    TRP   27 - HE1   TRP   87   9.75 +/- 1.26   0.057% *  0.3388% (0.90   1.0   0.02   6.12) =   0.000%
          HN    ALA   91 - HE1   TRP   87  10.40 +/- 0.81   0.030% *  0.3744% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HE1   TRP   87  18.10 +/- 1.21   0.001% *  0.3645% (0.97   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HE1   TRP   87  18.21 +/- 0.90   0.001% *  0.1166% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (6.74, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 2.0, residual support = 6.12:
          HZ2   TRP   27 - HE1   TRP   87   5.17 +/- 0.86  99.909% * 99.7535% (0.80   2.00   6.12) = 100.000%  kept
          HZ    PHE   72 - HE1   TRP   87  18.07 +/- 1.84   0.091% *  0.2465% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 12 structures by 1.08 A, kept.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.283, support = 3.07, residual support = 5.24:
      O   HA    TRP   87 - HN    ALA   88   3.26 +/- 0.08  26.164% * 95.2913% (0.28  10.0   3.10   5.30) =  98.912%  kept
          HA    ASP-  86 - HN    ALA   88   4.09 +/- 0.13   6.776% *  3.5255% (0.87   1.0   0.24   0.02) =   0.948%  kept
          HA    SER   85 - HN    ALA   88   2.79 +/- 0.11  66.987% *  0.0529% (0.15   1.0   0.02   0.02) =   0.141%
          HB    THR   77 - HN    ALA   88   9.06 +/- 0.79   0.066% *  0.0529% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   88  17.40 +/- 2.11   0.001% *  0.3308% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   88  13.43 +/- 0.55   0.006% *  0.0678% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   88  30.30 +/- 1.86   0.000% *  0.3164% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   88  33.10 +/- 2.84   0.000% *  0.2863% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  34.78 +/- 3.13   0.000% *  0.0763% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (4.32, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.605, support = 0.892, residual support = 16.5:
          HA    TRP   87 - HN    ILE   89   4.19 +/- 0.20  91.817% * 76.6363% (0.61   0.91  16.88) =  98.041%  kept
          HA    ASP-  86 - HN    ILE   89   6.36 +/- 0.23   8.149% * 17.2415% (0.53   0.23   0.02) =   1.958%  kept
          HA    LEU  104 - HN    ILE   89  16.88 +/- 1.78   0.026% *  2.6402% (0.95   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    ILE   89  21.04 +/- 1.16   0.006% *  0.4306% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE   89  29.01 +/- 1.83   0.001% *  1.6928% (0.61   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE   89  32.10 +/- 2.81   0.001% *  1.3585% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.04 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.75, residual support = 31.9:
          HN    ALA   91 - HN    GLN   90   2.84 +/- 0.40  99.933% * 99.1370% (0.92   6.75  31.90) = 100.000%  kept
          HE3   TRP   87 - HN    GLN   90  10.15 +/- 0.26   0.061% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLN   90  16.30 +/- 1.68   0.004% *  0.1930% (0.61   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLN   90  19.31 +/- 1.12   0.001% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    GLN   17 - HN    GLN   90  24.75 +/- 1.69   0.000% *  0.0557% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.03 A, kept.
 
    Peak 496 (4.48, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.347, support = 5.47, residual support = 94.9:
      O   HA    GLN   90 - HN    GLN   90   2.48 +/- 0.29  97.556% * 68.5373% (0.34  10.0   5.49  95.62) =  98.883%  kept
          HA    ALA   91 - HN    GLN   90   5.14 +/- 0.44   2.437% * 31.0090% (0.87   1.0   3.56  31.90) =   1.117%  kept
          HA    VAL  107 - HN    GLN   90  15.23 +/- 0.95   0.003% *  0.1939% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    GLN   90  15.42 +/- 1.80   0.003% *  0.0901% (0.45   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    GLN   90  16.58 +/- 1.76   0.001% *  0.1300% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   90  18.93 +/- 1.51   0.001% *  0.0398% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (6.79, 7.39, 112.01 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 1.0, residual support = 95.6:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00 100.000% * 99.0596% (0.92  10.0 10.00   1.00  95.62) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  28.92 +/- 2.85   0.000% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  29.17 +/- 3.11   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 = 95.6:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  99.989% * 99.4024% (0.76  10.0   1.00  95.62) = 100.000%  kept
          HD21  ASN   35 - HE22  GLN   32   8.63 +/- 0.91   0.008% *  0.0646% (0.25   1.0   0.02   6.50) =   0.000%
          HD1   TRP   49 - HE22  GLN   90  13.89 +/- 3.17   0.002% *  0.0401% (0.15   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  14.40 +/- 1.86   0.000% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  22.13 +/- 1.37   0.000% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  23.96 +/- 2.85   0.000% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  28.09 +/- 3.16   0.000% *  0.1683% (0.65   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  28.92 +/- 2.85   0.000% *  0.0763% (0.29   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  28.55 +/- 2.73   0.000% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  31.25 +/- 1.30   0.000% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  32.06 +/- 2.12   0.000% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  33.82 +/- 2.43   0.000% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.46 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 = 31.9:
        T HN    GLN   90 - HN    ALA   91   2.84 +/- 0.40  99.853% * 99.6698% (0.95 10.00   6.75  31.90) = 100.000%  kept
          HN    GLY  109 - HN    ALA   91  11.19 +/- 2.29   0.054% *  0.0554% (0.53  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  11.47 +/- 0.66   0.034% *  0.0235% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  16.30 +/- 1.68   0.004% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  18.17 +/- 2.44   0.002% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  10.69 +/- 1.11   0.049% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  16.77 +/- 1.53   0.003% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  22.30 +/- 1.44   0.001% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.06 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.128, support = 0.02, residual support = 12.0:
          HA    LEU   73 - HN    TRP   27   7.91 +/- 1.18  98.876% * 10.9973% (0.08   0.02  13.15) =  91.578%  kept
          HA    LEU   73 - HN    ALA   91  17.50 +/- 1.35   1.124% * 89.0027% (0.65   0.02   0.02) =   8.422%  kept
    Distance limit 4.33 A violated in 20 structures by 3.56 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.871, support = 3.45, residual support = 28.0:
      O   HA    ALA   91 - HN    ALA   91   2.92 +/- 0.01  41.026% * 89.2967% (1.00  10.0   3.12  14.52) =  85.592%  kept
      O   HA    TRP   27 - HN    TRP   27   2.75 +/- 0.03  58.955% * 10.4606% (0.12  10.0   5.39 108.10) =  14.408%  kept
          HA    VAL  107 - HN    ALA   91  14.30 +/- 1.26   0.003% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  12.78 +/- 1.83   0.008% *  0.0305% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  17.46 +/- 1.34   0.001% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   91  13.67 +/- 1.72   0.005% *  0.0157% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  18.16 +/- 1.66   0.001% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.22 +/- 1.01   0.000% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  23.64 +/- 1.37   0.000% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  23.94 +/- 2.82   0.000% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (7.73, 8.46, 118.59 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.55, residual support = 14.2:
          HN    ALA   91 - HN    MET   92   4.12 +/- 0.36  99.255% * 98.2288% (0.99   3.55  14.21) =  99.998%  kept
          HD1   TRP   87 - HN    MET   92  10.04 +/- 1.71   0.605% *  0.1551% (0.28   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    MET   92  13.23 +/- 1.15   0.092% *  0.4051% (0.73   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    MET   92  15.99 +/- 1.54   0.034% *  0.5384% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    MET   92  18.42 +/- 1.83   0.013% *  0.5003% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HN    MET   92  26.52 +/- 1.26   0.001% *  0.1722% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 503 (4.88, 8.46, 118.59 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.52, residual support = 64.1:
      O   HA    MET   92 - HN    MET   92   2.79 +/- 0.05  99.615% * 99.1845% (0.25  10.0   4.52  64.15) = 100.000%  kept
          HA    PHE   45 - HN    MET   92   8.29 +/- 1.77   0.384% *  0.0992% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    MET   92  19.68 +/- 1.24   0.001% *  0.3185% (0.80   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    MET   92  23.03 +/- 1.37   0.000% *  0.3978% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 504 (4.50, 8.46, 118.59 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 3.55, residual support = 14.2:
      O   HA    ALA   91 - HN    MET   92   2.53 +/- 0.21  99.941% * 99.6892% (0.80  10.0   3.55  14.21) = 100.000%  kept
          HA    PRO   52 - HN    MET   92  10.01 +/- 1.40   0.037% *  0.0855% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    MET   92  12.41 +/- 0.97   0.009% *  0.0805% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    MET   92  13.07 +/- 2.25   0.012% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    MET   92  18.24 +/- 1.89   0.001% *  0.1201% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 505 (8.75, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.3, residual support = 27.2:
        T HN    PHE   45 - HN    THR   94   2.96 +/- 0.65  99.467% * 99.8946% (0.95 10.00   3.30  27.18) =  99.999%  kept
          HN    ALA  110 - HN    THR   94   8.84 +/- 2.35   0.533% *  0.1054% (1.00  1.00   0.02   0.02) =   0.001%
    Distance limit 4.16 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 = 0.722:
          HA    LYS+ 106 - HN    THR   94   8.60 +/- 0.46 100.000% *100.0000% (0.14   0.02   0.72) = 100.000%  kept
    Distance limit 4.26 A violated in 20 structures by 4.34 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   2.15 +/- 0.01  99.972% * 99.9112% (0.22  10.0   4.09  15.60) = 100.000%  kept
          HA    ASP-  76 - HN    THR   94   8.59 +/- 0.72   0.028% *  0.0888% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.971, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   5.98 +/- 0.09  89.156% * 54.6147% (1.00   0.02   0.02) =  93.170%  kept
          HA    LYS+  74 - HN    THR   94   8.81 +/- 0.85  10.698% * 33.1992% (0.61   0.02   0.02) =   6.796%  kept
          HA    HIS  122 - HN    THR   94  17.88 +/- 1.71   0.147% * 12.1862% (0.22   0.02   0.02) =   0.034%
    Distance limit 3.69 A violated in 20 structures by 2.18 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 = 45.2:
          HN    VAL  107 - HN    PHE   95   3.26 +/- 0.73  99.958% * 99.0525% (0.97   2.00  45.23) = 100.000%  kept
          HN    GLY   51 - HN    PHE   95  14.45 +/- 1.65   0.042% *  0.9475% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 1 structures by 0.12 A, kept.
 
    Peak 510 (7.01, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.87, residual support = 73.5:
          QD    PHE   95 - HN    PHE   95   3.16 +/- 0.78  99.661% * 99.3384% (0.87   3.87  73.54) =  99.999%  kept
          HN    ALA   47 - HN    PHE   95  11.01 +/- 1.07   0.112% *  0.5139% (0.87   0.02   0.02) =   0.001%
          QE    PHE   72 - HN    PHE   95  10.71 +/- 1.51   0.227% *  0.1477% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.09 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 +/- 0.01 100.000% *100.0000% (1.00  10.0   4.33  73.54) = 100.000%  kept
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (4.94, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.16, residual support = 14.9:
      O   HA    THR   94 - HN    PHE   95   2.41 +/- 0.11  99.959% * 99.8515% (0.65  10.0   3.16  14.88) = 100.000%  kept
          HA    LYS+  74 - HN    PHE   95  10.65 +/- 0.59   0.015% *  0.1180% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    PHE   95   9.53 +/- 0.12   0.027% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (5.96, 9.32, 123.66 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.0, residual support = 12.0:
      O   HA    PHE   95 - HN    MET   96   2.20 +/- 0.01 100.000% *100.0000% (0.95  10.0   4.00  11.99) = 100.000%  kept
    Distance limit 3.06 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  99.714% * 99.9800% (0.94  10.0   4.09 115.52) = 100.000%  kept
          HA    PHE   72 - HN    MET   96   7.91 +/- 0.63   0.286% *  0.0200% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 4.69, residual support = 58.4:
        T HN    ASP- 105 - HN    PHE   97   3.61 +/- 0.59  99.910% * 99.9802% (1.00 10.00   4.69  58.42) = 100.000%  kept
          HN    ALA   88 - HN    PHE   97  13.70 +/- 1.71   0.090% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.09 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   3.23 +/- 0.65  99.105% * 98.9909% (0.80   4.09  62.56) =  99.995%  kept
          HZ3   TRP   87 - HN    PHE   97   8.61 +/- 1.83   0.894% *  0.5247% (0.87   0.02   0.02) =   0.005%
          HE3   TRP   49 - HN    PHE   97  22.64 +/- 1.39   0.001% *  0.4844% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.14 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 2.54, residual support = 8.72:
          HA    LYS+ 106 - HN    PHE   97   3.79 +/- 1.09 100.000% *100.0000% (0.98   2.54   8.72) = 100.000%  kept
    Distance limit 4.23 A violated in 2 structures by 0.27 A, kept.
 
    Peak 518 (5.31, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 6.07, residual support = 45.4:
      O   HA    MET   96 - HN    PHE   97   2.23 +/- 0.03  99.987% * 99.9800% (0.99  10.0   6.07  45.41) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97   9.98 +/- 0.48   0.013% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 5.23, residual support = 31.8:
        T HN    VAL   41 - HN    LEU   98   3.29 +/- 0.47 100.000% *100.0000% (0.69 10.00   5.23  31.76) = 100.000%  kept
    Distance limit 3.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.15, residual support = 80.6:
      O   HA    LEU   98 - HN    LEU   98   2.93 +/- 0.01 100.000% *100.0000% (0.80  10.0   5.15  80.55) = 100.000%  kept
    Distance limit 4.09 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 = 3.44, residual support = 10.9:
      O   HA    PHE   97 - HN    LEU   98   2.22 +/- 0.03 100.000% *100.0000% (0.98  10.0   3.44  10.93) = 100.000%  kept
    Distance limit 3.06 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 = 0.475, support = 1.39, residual support = 3.95:
          HA    VAL   42 - HN    LEU   98   3.57 +/- 0.60  82.882% * 26.3598% (0.45   0.98   0.62) =  65.457%  kept
          HA    LEU   40 - HN    LEU   98   5.13 +/- 0.51  17.058% * 67.5859% (0.53   2.15  10.26) =  34.541%  kept
          HA    SER   37 - HN    LEU   98  14.34 +/- 0.59   0.024% *  1.1546% (0.97   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    LEU   98  15.96 +/- 1.31   0.011% *  1.1546% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   98  16.12 +/- 0.86   0.010% *  1.1858% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   98  16.77 +/- 1.46   0.008% *  0.8688% (0.73   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   98  18.02 +/- 1.23   0.005% *  0.8218% (0.69   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   98  21.86 +/- 2.29   0.002% *  0.8688% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.934, support = 0.895, residual support = 1.67:
          HN    LYS+ 102 - HN    LYS+  99   2.77 +/- 0.78  97.278% * 58.0067% (0.95   0.86   1.70) =  98.384%  kept
          HN    ASP- 105 - HN    LYS+  99   6.42 +/- 0.77   2.345% * 39.4713% (0.18   3.15   0.02) =   1.614%  kept
          HN    THR   39 - HN    LYS+  99  10.00 +/- 0.65   0.113% *  0.5362% (0.38   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    LYS+  99  12.63 +/- 0.90   0.025% *  1.1441% (0.80   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    GLN   30   9.36 +/- 0.21   0.159% *  0.0752% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  99  14.57 +/- 1.77   0.011% *  0.5874% (0.41   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLN   30  11.39 +/- 0.31   0.044% *  0.0352% (0.02   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLN   30  14.39 +/- 1.24   0.016% *  0.0386% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    GLN   30  14.93 +/- 2.28   0.006% *  0.0888% (0.06   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLN   30  17.59 +/- 1.06   0.003% *  0.0164% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.10 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.25, residual support = 17.6:
      O   HA    LEU   98 - HN    LYS+  99   2.32 +/- 0.09  99.998% * 99.9934% (0.99  10.0   4.25  17.63) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  13.99 +/- 1.06   0.002% *  0.0066% (0.07   1.0   0.02   0.39) =   0.000%
    Distance limit 2.89 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 = 5.21, residual support = 173.0:
      O   HA    LYS+  99 - HN    LYS+  99   2.91 +/- 0.03  99.840% * 99.5300% (0.80  10.0   5.21 173.01) = 100.000%  kept
          HA    ASN   35 - HN    LYS+  99   9.76 +/- 0.86   0.084% *  0.0804% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  17.44 +/- 5.51   0.007% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.73 +/- 0.27   0.041% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  14.54 +/- 2.64   0.011% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    LYS+  99  19.72 +/- 1.72   0.001% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  13.51 +/- 1.30   0.013% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  22.20 +/- 1.33   0.001% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  22.05 +/- 1.24   0.001% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  17.37 +/- 1.47   0.003% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  22.22 +/- 1.32   0.001% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  24.25 +/- 4.61   0.001% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  23.94 +/- 1.32   0.000% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  28.72 +/- 1.15   0.000% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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   3.00 +/- 0.38  96.207% * 99.9864% (1.00 10.00   3.61  14.94) =  99.999%  kept
          HN    LEU   40 - HN    GLU- 100   6.04 +/- 1.35   3.793% *  0.0136% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.83, residual support = 39.9:
      O   HA    LYS+  99 - HN    GLU- 100   2.18 +/- 0.00  87.686% * 99.5956% (0.99  10.0   6.83  39.92) =  99.997%  kept
          HA    LEU   40 - HN    GLU- 100   3.81 +/- 1.33  12.074% *  0.0199% (0.20   1.0   0.02   0.02) =   0.003%
          HA    ASN   35 - HN    GLU- 100   6.30 +/- 1.06   0.239% *  0.0928% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 100  18.04 +/- 6.19   0.001% *  0.0805% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  24.08 +/- 1.34   0.000% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  24.81 +/- 1.58   0.000% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  21.17 +/- 1.83   0.000% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.67 +/- 0.79  99.597% * 98.8224% (0.95   3.13  12.51) =  99.999%  kept
          HN    THR   39 - HN    GLY  101   9.00 +/- 1.23   0.183% *  0.2508% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    GLY  101  10.55 +/- 1.39   0.068% *  0.5351% (0.80   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLY  101   9.44 +/- 0.64   0.144% *  0.1170% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLY  101  15.17 +/- 2.00   0.008% *  0.2747% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.858, residual support = 1.7:
          HN    LYS+  99 - HN    LYS+ 102   2.77 +/- 0.78  99.868% * 94.6395% (0.98   0.86   1.70) =  99.998%  kept
          HE1   HIS  122 - HN    LYS+ 102  14.35 +/- 5.70   0.082% *  2.1281% (0.95   0.02   0.02) =   0.002%
          HN    ASN   35 - HN    LYS+ 102  11.20 +/- 1.85   0.039% *  0.3471% (0.15   0.02   0.02) =   0.000%
          HN    GLN   30 - HN    LYS+ 102  14.93 +/- 2.28   0.006% *  0.5610% (0.25   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    LYS+ 102  16.99 +/- 2.55   0.005% *  0.4452% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    LYS+ 102  24.85 +/- 3.44   0.000% *  1.8791% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.06 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   2.67 +/- 0.79  99.943% * 99.9864% (1.00 10.00   3.13  12.51) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102  10.21 +/- 1.16   0.057% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 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   3.00 +/- 0.38 100.000% *100.0000% (0.80 10.00   3.61  14.94) = 100.000%  kept
    Distance limit 4.07 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 = 0.986, support = 1.42, residual support = 1.41:
          HA    LYS+  99 - HN    GLY  101   3.79 +/- 0.49  89.070% * 89.2586% (0.99   1.43   1.41) =  99.337%  kept
          HA    LEU   40 - HN    GLY  101   6.07 +/- 1.07   8.478% *  5.9207% (0.20   0.47   0.02) =   0.627%  kept
          HA    ASN   35 - HN    GLY  101   7.54 +/- 1.22   2.431% *  1.1631% (0.92   0.02   0.02) =   0.035%
          HA    LEU  123 - HN    GLY  101  19.76 +/- 5.67   0.015% *  1.0089% (0.80   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLY  101  24.38 +/- 1.35   0.001% *  1.1300% (0.90   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLY  101  25.11 +/- 1.18   0.001% *  1.1300% (0.90   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLY  101  22.04 +/- 1.64   0.003% *  0.3889% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 534 (4.14, 8.85, 104.25 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 2.86, residual support = 15.4:
      O   HA1   GLY  101 - HN    GLY  101   2.54 +/- 0.20  99.884% * 99.5220% (1.00  10.0   2.86  15.44) = 100.000%  kept
          HA    ALA   34 - HN    GLY  101   8.81 +/- 1.46   0.096% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLY  101  11.52 +/- 1.75   0.016% *  0.0833% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLY  101  16.66 +/- 1.90   0.002% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  19.38 +/- 1.86   0.001% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  21.68 +/- 1.50   0.000% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  21.02 +/- 6.25   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  27.01 +/- 1.42   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (9.36, 8.62, 122.05 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 6.61, residual support = 36.1:
          HN    LEU  104 - HN    ILE  103   4.51 +/- 0.25  99.951% * 99.3943% (0.49   6.61  36.05) = 100.000%  kept
          HN    PHE   72 - HN    ILE  103  16.27 +/- 0.67   0.049% *  0.6057% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.19 A, kept.
 
    Peak 536 (4.60, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.97, residual support = 22.4:
      O   HA    LYS+ 102 - HN    ILE  103   2.31 +/- 0.11  99.999% * 99.7796% (0.97  10.0   5.97  22.38) = 100.000%  kept
          HA    CYS   21 - HN    ILE  103  19.79 +/- 2.22   0.000% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ILE  103  18.86 +/- 0.86   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  20.17 +/- 1.09   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  24.41 +/- 2.40   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  27.84 +/- 1.73   0.000% *  0.0503% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (4.28, 8.62, 122.05 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 7.0, residual support = 135.6:
      O   HA    ILE  103 - HN    ILE  103   2.73 +/- 0.08  99.968% * 99.2916% (0.98  10.0   7.00 135.65) = 100.000%  kept
          HA    ASP-  44 - HN    ILE  103  13.59 +/- 0.91   0.007% *  0.0879% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ILE  103  13.95 +/- 0.72   0.006% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ILE  103  16.24 +/- 2.36   0.003% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  12.94 +/- 2.44   0.014% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ILE  103  19.00 +/- 1.76   0.001% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  22.63 +/- 1.47   0.000% *  0.0908% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  21.35 +/- 1.20   0.000% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  27.13 +/- 1.57   0.000% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  30.79 +/- 3.45   0.000% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  26.81 +/- 2.58   0.000% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  29.46 +/- 2.90   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 6.52, residual support = 38.8:
        T HN    ASP- 105 - HN    LEU  104   2.44 +/- 0.36  99.997% * 99.9802% (1.00 10.00   6.52  38.80) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  15.44 +/- 2.01   0.003% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 3.51, residual support = 7.72:
          HA    LEU   98 - HN    LEU  104   2.89 +/- 1.04 100.000% *100.0000% (0.80   3.51   7.72) = 100.000%  kept
    Distance limit 3.81 A violated in 1 structures by 0.14 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 6.01, residual support = 36.1:
      O   HA    ILE  103 - HN    LEU  104   2.33 +/- 0.29  99.982% * 99.2645% (0.95  10.0   6.01  36.05) = 100.000%  kept
          HA    ASP-  44 - HN    LEU  104  11.53 +/- 0.62   0.009% *  0.1049% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU  104  12.34 +/- 0.87   0.005% *  0.0552% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  15.57 +/- 2.01   0.002% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  18.05 +/- 1.93   0.001% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU  104  19.03 +/- 1.37   0.000% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  23.17 +/- 1.01   0.000% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  18.43 +/- 1.26   0.000% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  24.79 +/- 2.40   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  29.61 +/- 2.98   0.000% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  25.19 +/- 1.19   0.000% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  27.99 +/- 2.47   0.000% *  0.0511% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.03 A, kept.
 
    Peak 541 (8.39, 7.80, 116.22 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.69, residual support = 58.4:
        T HN    PHE   97 - HN    ASP- 105   3.61 +/- 0.59  99.896% * 99.7623% (0.73 10.00   4.69  58.42) = 100.000%  kept
          HN    LEU  115 - HN    ASP- 105  12.88 +/- 1.15   0.084% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
          HN    ASN   35 - HN    ASP- 105  16.03 +/- 1.09   0.019% *  0.0382% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ASP- 105  28.52 +/- 2.52   0.001% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 2 structures by 0.15 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 6.52, residual support = 38.8:
        T HN    LEU  104 - HN    ASP- 105   2.44 +/- 0.36  99.996% * 99.9822% (0.87 10.00   6.52  38.80) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  13.90 +/- 0.53   0.004% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 543 (5.63, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 5.18, residual support = 135.6:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.87 +/- 0.03 100.000% *100.0000% (0.95  10.0   5.18 135.59) = 100.000%  kept
    Distance limit 3.77 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 = 21.4:
      O   HA    ASP- 105 - HN    LYS+ 106   2.48 +/- 0.06  99.999% * 99.6913% (0.92  10.0   3.49  21.45) = 100.000%  kept
          HA    LEU   80 - HN    LYS+ 106  21.10 +/- 1.14   0.000% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    LYS+ 106  21.24 +/- 1.22   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+ 106  23.34 +/- 1.46   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  22.36 +/- 0.94   0.000% *  0.0333% (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 545 (4.80, 7.80, 116.22 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.39, residual support = 42.3:
      O   HA    ASP- 105 - HN    ASP- 105   2.90 +/- 0.02  99.997% * 99.6913% (0.92  10.0   4.39  42.29) = 100.000%  kept
          HA    LEU   80 - HN    ASP- 105  20.54 +/- 1.19   0.001% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ASP- 105  20.21 +/- 0.98   0.001% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP- 105  22.29 +/- 1.17   0.001% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  23.07 +/- 0.93   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.368, support = 6.09, residual support = 35.6:
      O   HA    LEU  104 - HN    ASP- 105   3.56 +/- 0.22  74.825% * 76.6327% (0.34  10.0   6.38  38.80) =  91.253%  kept
          HA    ILE  103 - HN    ASP- 105   4.42 +/- 0.52  25.023% * 21.9635% (0.65   1.0   3.02   2.59) =   8.746%  kept
          HA    ASP-  44 - HN    ASP- 105  10.88 +/- 0.58   0.098% *  0.1877% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP- 105  12.94 +/- 0.74   0.035% *  0.0500% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP- 105  16.88 +/- 1.65   0.008% *  0.1799% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP- 105  18.85 +/- 1.55   0.004% *  0.1717% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ASP- 105  19.05 +/- 1.10   0.004% *  0.1717% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP- 105  24.56 +/- 2.14   0.001% *  0.1631% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP- 105  28.09 +/- 2.31   0.000% *  0.1877% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP- 105  29.87 +/- 2.88   0.000% *  0.1949% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ASP- 105  23.63 +/- 0.83   0.001% *  0.0625% (0.28   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  23.96 +/- 1.24   0.001% *  0.0347% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 547 (7.14, 9.57, 125.50 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 1.5, residual support = 2.36:
          QD    PHE   97 - HN    VAL  107   5.04 +/- 1.03  99.007% * 98.5222% (0.87   1.50   2.36) =  99.988%  kept
          HZ3   TRP   87 - HN    VAL  107  12.05 +/- 1.18   0.913% *  1.2126% (0.80   0.02   0.02) =   0.011%
          HE3   TRP   49 - HN    VAL  107  19.23 +/- 1.63   0.080% *  0.2652% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 9 structures by 0.82 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.58, residual support = 25.7:
      O   HA    LYS+ 106 - HN    VAL  107   2.23 +/- 0.06 100.000% *100.0000% (0.98  10.0   4.58  25.65) = 100.000%  kept
    Distance limit 3.08 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 = 58.0:
      O   HA    VAL  107 - HN    VAL  107   2.93 +/- 0.00  99.805% * 99.7406% (0.95  10.0   3.66  58.03) = 100.000%  kept
          HA    ALA  110 - HN    VAL  107   9.00 +/- 1.43   0.173% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  107  13.61 +/- 0.86   0.011% *  0.1052% (1.00   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  107  14.47 +/- 1.25   0.009% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  107  16.87 +/- 0.91   0.003% *  0.0997% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (7.14, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.82, residual support = 58.4:
          QD    PHE   97 - HN    ASP- 105   3.62 +/- 0.58  99.533% * 99.6146% (0.87   5.82  58.42) =  99.999%  kept
          HZ3   TRP   87 - HN    ASP- 105  10.36 +/- 1.80   0.466% *  0.3162% (0.80   0.02   0.02) =   0.001%
          HE3   TRP   49 - HN    ASP- 105  25.40 +/- 1.58   0.001% *  0.0692% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 0.273, support = 0.02, residual support = 0.02:
          HA    THR   94 - HN    GLY  109   5.78 +/- 1.55  90.032% * 19.2756% (0.26   0.02   0.02) =  86.702%  kept
          HA    MET   92 - HN    GLY  109   8.76 +/- 2.11   9.515% * 25.3346% (0.34   0.02   0.02) =  12.044%  kept
          HA    LYS+  74 - HN    GLY  109  15.87 +/- 1.47   0.453% * 55.3898% (0.74   0.02   0.02) =   1.254%  kept
    Distance limit 4.32 A violated in 8 structures by 1.38 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 = 0.486, support = 2.23, residual support = 8.22:
      O   HA    VAL  108 - HN    GLY  109   2.23 +/- 0.04  77.913% * 31.6430% (0.34  10.0   2.33   7.63) =  62.116%  kept
      O   HA1   GLY  109 - HN    GLY  109   2.79 +/- 0.22  22.075% * 68.1141% (0.73  10.0   2.07   9.19) =  37.884%  kept
          HA    CYS   50 - HN    GLY  109  13.01 +/- 2.90   0.008% *  0.0692% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    GLY  109  13.20 +/- 2.43   0.003% *  0.0400% (0.43   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    GLY  109  17.02 +/- 2.69   0.001% *  0.0612% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.46 +/- 0.69   0.000% *  0.0241% (0.26   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  22.70 +/- 1.39   0.000% *  0.0485% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 9.13:
          HN    LYS+ 111 - HN    ALA  110   3.24 +/- 0.70  99.573% * 97.3114% (0.90   3.04   9.13) =  99.997%  kept
          HN    ILE   56 - HN    ALA  110   9.42 +/- 2.85   0.404% *  0.6989% (0.98   0.02   3.44) =   0.003%
          HN    LEU   63 - HN    ALA  110  15.08 +/- 2.93   0.013% *  0.6582% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA  110  18.68 +/- 2.24   0.004% *  0.6395% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA  110  18.39 +/- 2.41   0.005% *  0.1249% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA  110  23.59 +/- 2.09   0.001% *  0.2201% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA  110  32.21 +/- 2.29   0.000% *  0.3471% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 554 (4.57, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.692, support = 2.02, residual support = 6.12:
      O   HA1   GLY  109 - HN    ALA  110   3.41 +/- 0.25  57.890% * 93.8842% (0.69  10.0   2.07   6.39) =  95.723%  kept
          HA    VAL  108 - HN    ALA  110   4.04 +/- 1.14  42.041% *  5.7754% (0.80   1.0   1.06   0.02) =   4.276%  kept
          HA    CYS   50 - HN    ALA  110  13.17 +/- 3.06   0.041% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    ALA  110  13.93 +/- 2.61   0.022% *  0.1226% (0.90   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ALA  110  17.27 +/- 2.75   0.005% *  0.0719% (0.53   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA  110  23.56 +/- 2.66   0.001% *  0.0466% (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 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   2.40 +/- 0.28  98.662% * 98.1886% (0.18  10.0   2.74   9.59) =  99.993%  kept
          HA    VAL  107 - HN    ALA  110   6.54 +/- 1.22   1.270% *  0.5304% (0.95   1.0   0.02   0.02) =   0.007%
          HA    PRO   52 - HN    ALA  110   9.76 +/- 2.32   0.060% *  0.1912% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    ALA  110  12.29 +/- 2.10   0.007% *  0.5594% (1.00   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA  110  22.27 +/- 2.44   0.000% *  0.5304% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 5.35, residual support = 28.1:
        T HN    LYS+ 112 - HN    LYS+ 111   4.37 +/- 0.11  99.894% * 99.8172% (0.99 10.00   5.35  28.12) = 100.000%  kept
          HN    THR   46 - HN    LYS+ 111  15.11 +/- 2.06   0.079% *  0.0199% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LYS+  74 - HN    LYS+ 111  20.31 +/- 2.49   0.013% *  0.0570% (0.57  1.00   0.02   0.02) =   0.000%
          HN    ASP-  78 - HN    LYS+ 111  19.83 +/- 2.25   0.014% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  37.35 +/- 5.47   0.000% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.35 A, kept.
 
    Peak 557 (8.75, 7.58, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 9.13:
        T HN    ALA  110 - HN    LYS+ 111   3.24 +/- 0.70  99.961% * 99.9053% (1.00 10.00   3.04   9.13) = 100.000%  kept
          HN    PHE   45 - HN    LYS+ 111  12.43 +/- 2.19   0.039% *  0.0947% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.04 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.786, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  12.32 +/- 1.80  41.566% * 58.2608% (1.00   0.02   0.02) =  66.830%  kept
          HE22  GLN  116 - HN    LYS+ 111  12.52 +/- 1.42  38.028% * 19.8732% (0.34   0.02   0.02) =  20.856%  kept
          HD2   HIS  122 - HN    LYS+ 111  13.95 +/- 2.11  20.406% * 21.8659% (0.38   0.02   0.02) =  12.314%  kept
    Distance limit 4.39 A violated in 20 structures by 5.88 A, eliminated.
    Peak unassigned.
 
    Peak 559 (4.48, 7.58, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 3.04, residual support = 9.13:
      O   HA    ALA  110 - HN    LYS+ 111   2.96 +/- 0.31  96.713% * 99.3312% (0.45  10.0   3.04   9.13) =  99.993%  kept
          HA    VAL  107 - HN    LYS+ 111   6.69 +/- 2.00   3.206% *  0.2138% (0.97   1.0   0.02   0.02) =   0.007%
          HA    PHE   55 - HN    LYS+ 111  10.52 +/- 1.86   0.068% *  0.0438% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LYS+ 111  14.51 +/- 1.87   0.010% *  0.1922% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LYS+ 111  17.67 +/- 1.69   0.003% *  0.0756% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LYS+ 111  23.52 +/- 2.30   0.000% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.15 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.1, residual support = 28.1:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.32 +/- 0.22  99.967% * 99.8075% (0.53  10.0   7.10  28.12) = 100.000%  kept
          HA    VAL  108 - HN    LYS+ 112   9.17 +/- 0.57   0.031% *  0.1074% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    LYS+ 112  16.47 +/- 2.09   0.002% *  0.0851% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 4.03, residual support = 21.1:
        T HN    GLU- 114 - HN    ASP- 113   2.65 +/- 0.13  96.782% * 99.7300% (0.81 10.00   4.03  21.08) =  99.997%  kept
          HN    GLN  116 - HN    ASP- 113   4.80 +/- 0.30   3.077% *  0.0946% (0.76  1.00   0.02   1.49) =   0.003%
          HN    THR  118 - HN    ASP- 113   8.11 +/- 0.44   0.127% *  0.0682% (0.55  1.00   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    ASP- 113  11.90 +/- 1.31   0.014% *  0.0433% (0.35  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ASP- 113  21.55 +/- 1.63   0.000% *  0.0639% (0.52  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 4.03, residual support = 21.1:
        T HN    ASP- 113 - HN    GLU- 114   2.65 +/- 0.13 100.000% *100.0000% (1.00 10.00   4.03  21.08) = 100.000%  kept
    Distance limit 3.01 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 = 3.58, residual support = 43.8:
      O   HA    GLU- 114 - HN    GLU- 114   2.80 +/- 0.04  97.320% * 99.6055% (0.97  10.0   3.58  43.78) =  99.999%  kept
          HA    LEU  115 - HN    GLU- 114   5.13 +/- 0.15   2.658% *  0.0543% (0.53   1.0   0.02  14.91) =   0.001%
          HA    CYS   53 - HN    GLU- 114  11.91 +/- 1.39   0.022% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  24.31 +/- 1.29   0.000% *  0.0895% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  25.80 +/- 1.51   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLU- 114  28.96 +/- 1.04   0.000% *  0.0976% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  26.85 +/- 1.22   0.000% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (4.53, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 2.08, residual support = 3.89:
          HA    LYS+ 111 - HN    ASP- 113   3.78 +/- 0.34  98.512% * 99.1584% (0.74   2.08   3.89) =  99.995%  kept
          HA    PRO   52 - HN    ASP- 113  11.76 +/- 2.11   1.053% *  0.3750% (0.29   0.02   0.02) =   0.004%
          HA    VAL  108 - HN    ASP- 113  10.00 +/- 0.78   0.420% *  0.2741% (0.21   0.02   0.02) =   0.001%
          HA    ALA   47 - HN    ASP- 113  18.53 +/- 2.10   0.015% *  0.1925% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.3, residual support = 13.9:
      O   HA    ASP- 113 - HN    ASP- 113   2.75 +/- 0.06  99.817% * 99.6702% (0.85  10.0   3.30  13.91) = 100.000%  kept
          HA    ILE   56 - HN    ASP- 113   8.97 +/- 1.51   0.129% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    ASP- 113  10.79 +/- 1.84   0.051% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASP- 113  16.81 +/- 0.77   0.002% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  23.26 +/- 1.36   0.000% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  21.97 +/- 1.70   0.000% *  0.0154% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  30.10 +/- 1.43   0.000% *  0.0646% (0.55   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (8.18, 8.40, 122.87 ppm):
    6 chemical-shift based assignments, quality = 0.931, support = 7.46, residual support = 84.6:
        T HN    GLN  116 - HN    LEU  115   2.70 +/- 0.16  43.926% * 85.3178% (0.99 10.00   7.94  99.38) =  82.521%  kept
          HN    GLU- 114 - HN    LEU  115   2.60 +/- 0.16  54.746% * 14.4978% (0.65  1.00   5.21  14.91) =  17.477%  kept
          HN    THR  118 - HN    LEU  115   4.89 +/- 0.31   1.294% *  0.0814% (0.95  1.00   0.02   0.02) =   0.002%
          HN    PHE   60 - HN    LEU  115   9.44 +/- 0.99   0.033% *  0.0658% (0.76  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    LEU  115  17.91 +/- 1.67   0.001% *  0.0239% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  24.35 +/- 1.58   0.000% *  0.0133% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 567 (8.39, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 7.94, residual support = 99.4:
        T HN    LEU  115 - HN    GLN  116   2.70 +/- 0.16  99.992% * 99.8619% (0.98 10.00   7.94  99.38) = 100.000%  kept
          HN    PHE   97 - HN    GLN  116  13.49 +/- 1.68   0.008% *  0.0999% (0.98  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLN  116  31.42 +/- 2.93   0.000% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 5.51, residual support = 27.9:
        T HN    SER  117 - HN    GLN  116   2.70 +/- 0.19  99.999% * 99.8966% (0.97 10.00   5.51  27.85) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  20.36 +/- 1.79   0.001% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  26.71 +/- 1.60   0.000% *  0.0205% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (8.18, 8.66, 115.11 ppm):
    6 chemical-shift based assignments, quality = 0.969, support = 4.25, residual support = 17.1:
        T HN    GLN  116 - HN    SER  117   2.70 +/- 0.19  50.017% * 50.9371% (0.99 10.00   5.51  27.85) =  51.995%  kept
        T HN    THR  118 - HN    SER  117   2.71 +/- 0.15  48.384% * 48.6147% (0.95 10.00   2.90   5.46) =  48.004%  kept
          HN    GLU- 114 - HN    SER  117   4.79 +/- 0.32   1.586% *  0.0332% (0.65  1.00   0.02   0.02) =   0.001%
        T HN    PHE   60 - HN    SER  117  10.93 +/- 0.69   0.012% *  0.3928% (0.76 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    SER  117  17.39 +/- 2.08   0.001% *  0.0143% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  24.41 +/- 1.68   0.000% *  0.0079% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (6.84, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.55, residual support = 122.8:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  99.993% * 99.8133% (0.95  10.0   2.55 122.77) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN  116   9.38 +/- 1.59   0.007% *  0.1018% (0.96   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HE21  GLN  116  16.28 +/- 1.46   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  21.97 +/- 2.70   0.000% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 571 (7.42, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.55, residual support = 122.8:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  99.810% * 99.7477% (0.90  10.0 10.00   2.55 122.77) = 100.000%  kept
          HN    ALA  120 - HE22  GLN  116   5.62 +/- 1.32   0.186% *  0.1090% (0.98   1.0  1.00   0.02   0.38) =   0.000%
          HN    ALA   57 - HE22  GLN  116  12.63 +/- 2.64   0.002% *  0.0929% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN  116  10.90 +/- 2.05   0.003% *  0.0195% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  28.62 +/- 2.58   0.000% *  0.0309% (0.28   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 572 (4.37, 8.17, 116.99 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 0.749, residual support = 1.49:
          HA    ASP- 113 - HN    GLN  116   3.65 +/- 0.29  95.560% * 91.8913% (1.00   0.75   1.49) =  99.925%  kept
          HA    PHE   59 - HN    GLN  116   7.72 +/- 1.39   3.314% *  1.4896% (0.61   0.02   0.55) =   0.056%
          HA    ILE   56 - HN    GLN  116   8.18 +/- 0.94   1.040% *  1.4896% (0.61   0.02   0.02) =   0.018%
          HA    LEU  123 - HN    GLN  116  12.35 +/- 0.76   0.078% *  1.1954% (0.49   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLN  116  19.70 +/- 2.07   0.005% *  1.9665% (0.80   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN  116  26.49 +/- 1.83   0.001% *  1.5887% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN  116  21.17 +/- 1.04   0.003% *  0.3789% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.01, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.97, residual support = 122.8:
      O   HA    GLN  116 - HN    GLN  116   2.76 +/- 0.06  99.994% * 99.5202% (1.00  10.0   6.97 122.77) = 100.000%  kept
          HA    VAL   70 - HN    GLN  116  17.20 +/- 2.17   0.002% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN  116  17.53 +/- 1.10   0.002% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  19.29 +/- 1.85   0.001% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  21.17 +/- 2.01   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  25.10 +/- 2.10   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  27.83 +/- 1.66   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  27.93 +/- 1.74   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  28.81 +/- 1.38   0.000% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 574 (4.13, 8.40, 122.87 ppm):
    9 chemical-shift based assignments, quality = 0.954, support = 7.23, residual support = 199.8:
      O   HA    LEU  115 - HN    LEU  115   2.79 +/- 0.05  81.863% * 60.5049% (1.00  10.0   7.57 226.29) =  87.447%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.58 +/- 0.05  18.126% * 39.2280% (0.65  10.0   4.84  14.91) =  12.553%  kept
          HA    ARG+  54 - HN    LEU  115  13.01 +/- 0.98   0.009% *  0.0392% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  17.52 +/- 0.79   0.001% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  22.79 +/- 1.44   0.000% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  23.73 +/- 1.50   0.000% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU  115  24.88 +/- 1.26   0.000% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  23.05 +/- 1.78   0.000% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  26.79 +/- 0.93   0.000% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 3.58, residual support = 16.1:
      O   HA    SER  117 - HN    SER  117   2.77 +/- 0.05  99.991% * 99.4282% (0.38  10.0   3.58  16.10) = 100.000%  kept
          HA    ASP-  62 - HN    SER  117  13.61 +/- 1.14   0.008% *  0.2506% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    SER  117  26.82 +/- 0.97   0.000% *  0.2025% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    SER  117  28.11 +/- 1.41   0.000% *  0.1188% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (7.91, 7.43, 118.69 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.55, residual support = 54.9:
        T HN    ILE  119 - HN    ALA  120   2.59 +/- 0.10  99.999% * 99.2864% (0.83 10.00   5.55  54.94) = 100.000%  kept
        T HN    CYS   21 - HN    ALA  120  21.99 +/- 1.70   0.000% *  0.4963% (0.41 10.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    ALA  120  22.42 +/- 1.47   0.000% *  0.1105% (0.92  1.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    ALA  120  23.63 +/- 3.08   0.000% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 6.71, residual support = 49.7:
          HN    HIS  122 - HN    LYS+ 121   2.71 +/- 0.03  99.369% * 99.4521% (0.80   6.71  49.70) = 100.000%  kept
          QE    PHE   59 - HN    LYS+ 121   6.78 +/- 0.89   0.618% *  0.0740% (0.20   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+ 121  12.30 +/- 0.81   0.012% *  0.1799% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LYS+ 121  20.36 +/- 3.15   0.001% *  0.2940% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 5.81, residual support = 38.1:
          HN    LEU  123 - HN    HIS  122   2.14 +/- 0.12  99.881% * 99.5758% (0.26   5.81  38.10) = 100.000%  kept
          HN    ALA  124 - HN    HIS  122   6.61 +/- 0.12   0.119% *  0.1176% (0.09   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    HIS  122  20.49 +/- 2.09   0.000% *  0.1609% (0.12   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HN    HIS  122  24.03 +/- 1.38   0.000% *  0.1456% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 5.81, residual support = 38.1:
          HN    HIS  122 - HN    LEU  123   2.14 +/- 0.12  99.954% * 99.1258% (0.87   5.81  38.10) = 100.000%  kept
          QE    PHE   59 - HN    LEU  123   8.61 +/- 1.27   0.043% *  0.2068% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LEU  123  13.25 +/- 1.07   0.002% *  0.3526% (0.90   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LEU  123  21.81 +/- 4.01   0.000% *  0.3148% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 4.07, residual support = 12.2:
      O   HA    LEU  123 - HN    ALA  124   2.29 +/- 0.01  99.991% * 99.5133% (1.00  10.0   4.07  12.18) = 100.000%  kept
          HA    LEU   40 - HN    ALA  124  16.16 +/- 6.11   0.004% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA  124  17.57 +/- 6.35   0.002% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ALA  124  18.08 +/- 1.78   0.001% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ALA  124  16.28 +/- 1.06   0.001% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  22.92 +/- 6.35   0.000% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  17.02 +/- 1.23   0.001% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  19.48 +/- 3.89   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  24.27 +/- 4.01   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 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   2.57 +/- 0.29  99.994% * 99.5726% (1.00  10.0   1.81   9.22) = 100.000%  kept
          HA    LEU  115 - HN    ALA  124  14.68 +/- 1.00   0.003% *  0.0495% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  20.14 +/- 6.15   0.002% *  0.0341% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA  124  22.83 +/- 1.62   0.000% *  0.1065% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  25.16 +/- 6.47   0.000% *  0.0758% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  22.85 +/- 5.71   0.000% *  0.0193% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  27.03 +/- 4.95   0.000% *  0.0537% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  32.27 +/- 2.45   0.000% *  0.0884% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 4.77, residual support = 38.1:
      O   HA    HIS  122 - HN    LEU  123   3.41 +/- 0.04  99.970% * 99.8702% (1.00  10.0   4.77  38.10) = 100.000%  kept
          HA    VAL   41 - HN    LEU  123  15.59 +/- 4.22   0.026% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    LEU  123  20.05 +/- 1.77   0.003% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  22.80 +/- 1.12   0.001% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 583 (4.38, 7.46, 121.46 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 6.26, residual support = 202.3:
      O   HA    LEU  123 - HN    LEU  123   2.86 +/- 0.05  99.936% * 99.5133% (1.00  10.0   6.26 202.29) = 100.000%  kept
          HA    LYS+  99 - HN    LEU  123  15.36 +/- 5.27   0.015% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    LEU  123  14.35 +/- 4.81   0.021% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LEU  123  12.84 +/- 0.84   0.014% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU  123  15.02 +/- 1.47   0.006% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU  123  14.92 +/- 0.91   0.005% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU  123  21.74 +/- 4.78   0.001% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  19.22 +/- 2.68   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  24.59 +/- 2.91   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 6.57, residual support = 72.3:
          HD2   HIS  122 - HN    HIS  122   3.18 +/- 0.38  99.689% * 97.1708% (0.11   6.57  72.26) =  99.999%  kept
          HE22  GLN  116 - HN    HIS  122   9.10 +/- 1.54   0.309% *  0.3268% (0.12   0.02   0.02) =   0.001%
          HE22  GLN   17 - HN    HIS  122  21.34 +/- 2.02   0.002% *  0.9391% (0.35   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    HIS  122  28.83 +/- 3.76   0.000% *  0.8311% (0.31   0.02   0.02) =   0.000%
          HE22  GLN   90 - HN    HIS  122  28.98 +/- 1.90   0.000% *  0.7322% (0.27   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 5.13, residual support = 72.3:
      O   HA    HIS  122 - HN    HIS  122   2.91 +/- 0.02  99.982% * 99.8131% (0.30  10.0   5.13  72.26) = 100.000%  kept
          HA    VAL   41 - HN    HIS  122  14.24 +/- 3.78   0.016% *  0.1192% (0.35   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    HIS  122  18.38 +/- 1.78   0.002% *  0.0677% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 5.61, residual support = 234.3:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.76 +/- 0.01  80.419% * 38.4533% (0.49  10.0   6.29 314.80) =  74.252%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.56 +/- 0.02  17.526% * 61.1842% (0.77  10.0   3.65   2.00) =  25.747%  kept
          QB    SER  117 - HN    LYS+ 121   5.19 +/- 0.39   2.047% *  0.0176% (0.22   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    LYS+ 121  15.24 +/- 1.06   0.003% *  0.0569% (0.72   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  16.00 +/- 1.57   0.002% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+ 121  18.72 +/- 1.56   0.001% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  24.14 +/- 1.05   0.000% *  0.0508% (0.64   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  25.18 +/- 1.86   0.000% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  23.29 +/- 1.29   0.000% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  21.61 +/- 1.15   0.000% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  25.30 +/- 2.99   0.000% *  0.0111% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  25.09 +/- 2.03   0.000% *  0.0098% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.79 +/- 0.05  94.698% * 99.2369% (0.74  10.0   3.61  14.38) =  99.998%  kept
          HA    LYS+ 121 - HN    ALA  120   5.14 +/- 0.14   2.474% *  0.0465% (0.35   1.0   0.02   2.00) =   0.001%
          QB    SER  117 - HN    ALA  120   5.03 +/- 0.17   2.814% *  0.0168% (0.12   1.0   0.02   6.40) =   0.001%
          HA    LYS+  65 - HN    ALA  120  14.41 +/- 1.28   0.006% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ALA  120  18.14 +/- 1.79   0.002% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  15.71 +/- 1.25   0.003% *  0.0556% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  20.12 +/- 1.48   0.001% *  0.0652% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  25.37 +/- 1.36   0.000% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  23.11 +/- 1.08   0.000% *  0.0702% (0.52   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  21.50 +/- 1.64   0.001% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  25.28 +/- 1.36   0.000% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  26.36 +/- 2.77   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  24.36 +/- 1.30   0.000% *  0.0191% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.52, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.324, support = 3.48, residual support = 122.8:
      O   HG2   GLN  116 - HE22  GLN  116   3.62 +/- 0.21  65.556% * 37.6518% (0.25  10.0   3.53 122.77) =  53.605%  kept
      O   HG3   GLN  116 - HE22  GLN  116   4.04 +/- 0.16  34.414% * 62.0774% (0.41  10.0   3.42 122.77) =  46.395%  kept
          HB3   PHE   95 - HE22  GLN  116  13.48 +/- 1.44   0.028% *  0.0466% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   TRP   87 - HE22  GLN  116  23.54 +/- 1.37   0.001% *  0.0735% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HE22  GLN  116  33.56 +/- 1.52   0.000% *  0.1507% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 592 (1.67, 7.45, 128.80 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 4.17, residual support = 12.2:
          HB2   LEU  123 - HN    ALA  124   3.93 +/- 0.42  99.301% * 96.1773% (0.76   4.17  12.18) =  99.997%  kept
          HB2   LYS+ 121 - HN    ALA  124   9.57 +/- 0.12   0.548% *  0.4387% (0.73   0.02   0.02) =   0.003%
          QD    LYS+  65 - HN    ALA  124  13.93 +/- 2.05   0.088% *  0.4617% (0.76   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA  124  18.53 +/- 6.03   0.033% *  0.5715% (0.95   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA  124  21.71 +/- 4.57   0.007% *  0.5715% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA  124  21.66 +/- 1.37   0.005% *  0.2941% (0.49   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA  124  23.85 +/- 1.65   0.002% *  0.4837% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ALA  124  21.37 +/- 4.10   0.007% *  0.1506% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA  124  22.01 +/- 2.61   0.005% *  0.1196% (0.20   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA  124  28.68 +/- 3.30   0.001% *  0.5046% (0.84   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA  124  25.34 +/- 1.10   0.002% *  0.2267% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.12 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   2.38 +/- 0.35  99.967% * 98.5503% (0.65  10.0   1.81   9.22) = 100.000%  kept
          HB2   LEU   63 - HN    ALA  124  12.37 +/- 2.35   0.016% *  0.0632% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA  124  15.27 +/- 4.68   0.007% *  0.0954% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA  124  15.13 +/- 1.96   0.004% *  0.0954% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  19.78 +/- 4.93   0.001% *  0.1288% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  18.91 +/- 2.99   0.001% *  0.1462% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  18.80 +/- 1.50   0.001% *  0.1288% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  19.28 +/- 2.47   0.001% *  0.0820% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  21.31 +/- 3.78   0.000% *  0.1090% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA  124  23.27 +/- 5.90   0.001% *  0.0820% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  21.93 +/- 1.34   0.000% *  0.1511% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  23.58 +/- 5.30   0.000% *  0.1157% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  25.58 +/- 1.87   0.000% *  0.1462% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  22.14 +/- 3.28   0.001% *  0.0295% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  25.55 +/- 5.32   0.000% *  0.0295% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  29.20 +/- 3.07   0.000% *  0.0469% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.983, support = 3.51, residual support = 23.6:
          HA    ALA  120 - HN    LEU  123   2.71 +/- 0.12  90.065% * 64.4223% (0.99   3.59  24.86) =  94.620%  kept
          HA    LYS+ 121 - HN    LEU  123   3.96 +/- 0.11   9.820% * 33.5912% (0.84   2.22   2.26) =   5.379%  kept
          QB    SER  117 - HN    LEU  123   8.41 +/- 0.36   0.106% *  0.1764% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    LEU  123  13.78 +/- 1.46   0.006% *  0.2489% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LEU  123  17.15 +/- 2.05   0.002% *  0.2769% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LEU  123  18.44 +/- 1.63   0.001% *  0.3249% (0.90   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU  123  25.54 +/- 1.08   0.000% *  0.3497% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU  123  24.96 +/- 1.55   0.000% *  0.2769% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LEU  123  26.95 +/- 2.20   0.000% *  0.2769% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU  123  23.61 +/- 1.20   0.000% *  0.0559% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 5.21, residual support = 37.7:
          HB3   HIS  122 - HN    LEU  123   3.76 +/- 0.38  94.025% * 83.4630% (0.99   5.26  38.10) =  98.779%  kept
          QE    LYS+ 121 - HN    LEU  123   6.46 +/- 0.96   5.971% * 16.2488% (0.76   1.33   2.26) =   1.221%  kept
          HG2   GLN   30 - HN    LEU  123  22.50 +/- 3.54   0.003% *  0.0890% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    LEU  123  29.17 +/- 1.45   0.000% *  0.1559% (0.49   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LEU  123  27.10 +/- 3.84   0.001% *  0.0433% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (1.85, 7.46, 121.46 ppm):
    14 chemical-shift based assignments, quality = 0.764, support = 5.82, residual support = 202.3:
          HG    LEU  123 - HN    LEU  123   3.40 +/- 0.37  96.231% * 96.8055% (0.76   5.82 202.29) =  99.989%  kept
          HG3   PRO   68 - HN    LEU  123  10.88 +/- 3.96   1.907% *  0.3775% (0.87   0.02   0.02) =   0.008%
          HB3   ASP- 105 - HN    LEU  123  10.73 +/- 4.15   0.388% *  0.3326% (0.76   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    LEU  123   7.90 +/- 1.55   1.364% *  0.0861% (0.20   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    LEU  123  13.49 +/- 2.09   0.040% *  0.1951% (0.45   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU  123  16.54 +/- 4.30   0.019% *  0.1484% (0.34   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU  123  18.27 +/- 3.70   0.008% *  0.3635% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU  123  18.10 +/- 3.87   0.009% *  0.2118% (0.49   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU  123  15.21 +/- 2.28   0.025% *  0.0589% (0.14   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU  123  19.97 +/- 3.73   0.005% *  0.2815% (0.65   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU  123  21.78 +/- 1.68   0.002% *  0.3484% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  123  22.06 +/- 1.73   0.002% *  0.3326% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU  123  27.87 +/- 1.38   0.000% *  0.2464% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU  123  27.94 +/- 1.89   0.000% *  0.2118% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.09 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 6.15, residual support = 202.3:
      O   HB2   LEU  123 - HN    LEU  123   2.56 +/- 0.47  97.407% * 99.1788% (0.76  10.0   6.15 202.29) =  99.997%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.09 +/- 0.10   2.574% *  0.0942% (0.73   1.0   0.02   2.26) =   0.003%
          QD    LYS+  65 - HN    LEU  123  13.75 +/- 1.30   0.008% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU  123  18.01 +/- 4.45   0.004% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU  123  19.00 +/- 3.95   0.001% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  17.80 +/- 1.24   0.001% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU  123  20.23 +/- 1.67   0.001% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  18.96 +/- 3.20   0.002% *  0.0324% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  19.49 +/- 2.05   0.001% *  0.0257% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  25.38 +/- 2.81   0.000% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  21.38 +/- 0.94   0.000% *  0.0487% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 0.877, support = 6.68, residual support = 202.3:
          QD1   LEU  123 - HN    LEU  123   2.75 +/- 0.66  81.389% * 84.9061% (0.90   6.68 202.29) =  97.271%  kept
          QD2   LEU  123 - HN    LEU  123   4.11 +/- 0.44  13.627% * 14.1603% (0.15   6.48 202.29) =   2.716%  kept
          QG1   VAL   70 - HN    LEU  123   7.80 +/- 3.67   4.700% *  0.1946% (0.69   0.02   0.02) =   0.013%
          HB3   LEU  104 - HN    LEU  123  12.38 +/- 4.68   0.054% *  0.2808% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    LEU  123   8.96 +/- 2.11   0.206% *  0.0437% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU  123  14.52 +/- 3.25   0.017% *  0.2541% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    LEU  123  14.26 +/- 1.56   0.007% *  0.1604% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (3.45, 7.46, 121.46 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 38.1:
          HB2   HIS  122 - HN    LEU  123   4.09 +/- 0.42  99.915% * 99.3228% (1.00   5.26  38.10) = 100.000%  kept
          HA    LYS+ 112 - HN    LEU  123  14.05 +/- 0.88   0.078% *  0.3386% (0.90   0.02   0.02) =   0.000%
          HB    THR   46 - HN    LEU  123  20.75 +/- 1.27   0.008% *  0.3386% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.76 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 = 0.242, support = 6.44, residual support = 34.8:
      O   HA    LYS+ 121 - HN    HIS  122   3.51 +/- 0.03  52.391% * 66.0005% (0.20  10.0   6.62  49.70) =  68.820%  kept
          HA    ALA  120 - HN    HIS  122   3.58 +/- 0.17  46.998% * 33.3333% (0.33   1.0   6.05   1.86) =  31.180%  kept
          QB    SER  117 - HN    HIS  122   7.48 +/- 0.33   0.579% *  0.0291% (0.09   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    HIS  122  13.66 +/- 1.16   0.017% *  0.1076% (0.33   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    HIS  122  17.00 +/- 1.62   0.005% *  0.1125% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    HIS  122  16.59 +/- 1.78   0.006% *  0.0754% (0.23   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    HIS  122  25.29 +/- 2.30   0.000% *  0.1125% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    HIS  122  24.28 +/- 1.09   0.001% *  0.0891% (0.27   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    HIS  122  22.30 +/- 1.06   0.001% *  0.0398% (0.12   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    HIS  122  23.89 +/- 1.32   0.001% *  0.0567% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  23.81 +/- 3.82   0.001% *  0.0231% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  25.55 +/- 2.43   0.000% *  0.0204% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 602 (3.70, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.264, support = 4.28, residual support = 12.6:
          HA    ILE  119 - HN    HIS  122   3.62 +/- 0.23  87.481% * 55.3913% (0.27   4.28  13.71) =  89.866%  kept
          HA    THR  118 - HN    HIS  122   5.10 +/- 0.19  12.466% * 43.8347% (0.21   4.27   2.81) =  10.134%  kept
          HA2   GLY  109 - HN    HIS  122  16.75 +/- 2.64   0.023% *  0.1045% (0.11   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    HIS  122  14.49 +/- 1.25   0.025% *  0.0941% (0.10   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    HIS  122  20.89 +/- 2.08   0.003% *  0.1781% (0.19   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    HIS  122  23.39 +/- 2.30   0.002% *  0.1648% (0.17   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    HIS  122  27.41 +/- 1.32   0.000% *  0.2325% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 5.86, residual support = 72.3:
      O   HB2   HIS  122 - HN    HIS  122   3.29 +/- 0.62  99.086% * 99.5910% (0.11  10.0   5.86  72.26) =  99.999%  kept
          HA    LEU   63 - HN    HIS  122   8.49 +/- 1.53   0.874% *  0.0565% (0.06   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HN    HIS  122  13.08 +/- 0.70   0.039% *  0.1827% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    HIS  122  26.66 +/- 2.15   0.001% *  0.1698% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 5.86, residual support = 72.0:
      O   HB3   HIS  122 - HN    HIS  122   2.86 +/- 0.41  94.273% * 82.7715% (0.33  10.0   5.86  72.26) =  98.757%  kept
          QE    LYS+ 121 - HN    HIS  122   5.45 +/- 0.84   5.726% * 17.1548% (0.21   1.0   6.31  49.70) =   1.243%  kept
          HG2   GLN   30 - HN    HIS  122  21.24 +/- 3.12   0.001% *  0.0157% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    HIS  122  27.62 +/- 1.51   0.000% *  0.0580% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.02 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.32, support = 7.18, residual support = 48.7:
          HB2   LYS+ 121 - HN    HIS  122   3.40 +/- 0.14  79.472% * 72.0922% (0.33   7.35  49.70) =  91.269%  kept
          HB2   LEU  123 - HN    HIS  122   4.42 +/- 0.55  20.453% * 26.7960% (0.17   5.31  38.10) =   8.730%  kept
          QD    LYS+  65 - HN    HIS  122  13.73 +/- 1.31   0.023% *  0.2000% (0.34   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    HIS  122  17.41 +/- 3.80   0.008% *  0.2054% (0.35   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    HIS  122  17.55 +/- 3.82   0.008% *  0.1505% (0.26   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    HIS  122  14.27 +/- 0.68   0.015% *  0.0363% (0.06   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    HIS  122  18.75 +/- 1.61   0.003% *  0.1090% (0.19   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    HIS  122  18.22 +/- 1.91   0.004% *  0.0852% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    HIS  122  16.76 +/- 1.24   0.006% *  0.0517% (0.09   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    HIS  122  23.60 +/- 2.80   0.001% *  0.2054% (0.35   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  17.48 +/- 1.52   0.005% *  0.0320% (0.05   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  19.73 +/- 0.98   0.002% *  0.0363% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 0.313, support = 6.44, residual support = 49.7:
          HB3   LYS+ 121 - HN    HIS  122   3.83 +/- 0.34  69.544% * 67.3170% (0.35   6.31  49.70) =  83.424%  kept
          HD2   LYS+ 121 - HN    HIS  122   4.84 +/- 1.09  29.333% * 31.7043% (0.15   7.09  49.70) =  16.573%  kept
          QD    LYS+  66 - HN    HIS  122   9.22 +/- 2.04   0.867% *  0.1742% (0.28   0.02   0.02) =   0.003%
          HG    LEU  104 - HN    HIS  122  12.17 +/- 4.64   0.197% *  0.2133% (0.35   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    HIS  122  14.83 +/- 1.41   0.020% *  0.2008% (0.33   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    HIS  122  14.12 +/- 1.38   0.027% *  0.0742% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    HIS  122  19.05 +/- 1.73   0.004% *  0.1951% (0.32   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    HIS  122  19.45 +/- 2.15   0.004% *  0.0605% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    HIS  122  21.55 +/- 4.25   0.003% *  0.0605% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.06 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.306, support = 6.26, residual support = 38.1:
          QD1   LEU  123 - HN    HIS  122   3.63 +/- 0.86  82.033% * 98.4769% (0.31   6.27  38.10) =  99.925%  kept
          QG1   VAL   70 - HN    HIS  122   7.35 +/- 3.00  15.376% *  0.3591% (0.35   0.02   0.02) =   0.068%
          HB3   LEU   63 - HN    HIS  122   8.13 +/- 1.76   1.568% *  0.2344% (0.23   0.02   0.02) =   0.005%
          HB3   LEU  104 - HN    HIS  122  10.77 +/- 4.52   0.825% *  0.1906% (0.19   0.02   0.02) =   0.002%
          QD1   LEU   71 - HN    HIS  122  13.67 +/- 2.74   0.095% *  0.3142% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    HIS  122  13.32 +/- 1.28   0.055% *  0.3615% (0.35   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    HIS  122  14.11 +/- 2.18   0.047% *  0.0634% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 1 structures by 0.20 A, kept.
 
    Peak 608 (3.70, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 2.66, residual support = 6.21:
          HA    THR  118 - HN    LYS+ 121   3.38 +/- 0.26  74.658% * 34.1292% (0.49   2.22   8.56) =  60.912%  kept
          HA    ILE  119 - HN    LYS+ 121   4.07 +/- 0.11  25.267% * 64.7136% (0.61   3.35   2.53) =  39.088%  kept
          HA2   GLY  109 - HN    LYS+ 121  15.09 +/- 2.68   0.058% *  0.1562% (0.25   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    LYS+ 121  14.22 +/- 1.01   0.015% *  0.1407% (0.22   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    LYS+ 121  21.50 +/- 1.62   0.001% *  0.2663% (0.42   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    LYS+ 121  23.27 +/- 1.89   0.001% *  0.2463% (0.39   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    LYS+ 121  26.90 +/- 1.37   0.000% *  0.3476% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 6.82, residual support = 314.8:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.12 +/- 0.17  99.414% * 99.3852% (0.76  10.0   6.82 314.80) = 100.000%  kept
          HB2   LEU  123 - HN    LYS+ 121   5.29 +/- 0.66   0.580% *  0.0511% (0.39   1.0   0.02   2.26) =   0.000%
          QD    LYS+  65 - HN    LYS+ 121  14.96 +/- 1.16   0.001% *  0.1014% (0.77   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+ 121  17.74 +/- 3.11   0.000% *  0.0763% (0.58   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  14.60 +/- 1.30   0.001% *  0.0262% (0.20   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LYS+ 121  18.79 +/- 3.06   0.000% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  18.06 +/- 1.83   0.000% *  0.0553% (0.42   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  14.26 +/- 0.57   0.001% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  15.27 +/- 1.53   0.001% *  0.0162% (0.12   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  18.92 +/- 1.60   0.000% *  0.0432% (0.33   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  23.91 +/- 2.33   0.000% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  18.80 +/- 0.90   0.000% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.51, support = 5.12, residual support = 216.1:
          HD2   LYS+ 121 - HN    LYS+ 121   3.63 +/- 1.01  30.680% * 81.8773% (0.64   5.89 314.80) =  68.451%  kept
          QB    ALA  120 - HN    LYS+ 121   2.84 +/- 0.10  69.139% * 16.7452% (0.22   3.47   2.00) =  31.549%  kept
          HG    LEU  115 - HN    LYS+ 121   9.25 +/- 1.23   0.100% *  0.0966% (0.22   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+ 121  10.41 +/- 1.89   0.058% *  0.1429% (0.33   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LYS+ 121  12.72 +/- 3.25   0.018% *  0.1691% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 121  15.45 +/- 1.28   0.003% *  0.3014% (0.70   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+ 121  19.80 +/- 1.56   0.001% *  0.3467% (0.80   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 121  20.56 +/- 1.71   0.001% *  0.3208% (0.74   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 5.88, residual support = 314.8:
          HG2   LYS+ 121 - HN    LYS+ 121   3.72 +/- 0.41  93.735% * 99.0727% (0.77   5.89 314.80) =  99.992%  kept
          HG13  ILE  119 - HN    LYS+ 121   6.26 +/- 0.25   5.228% *  0.0690% (0.16   0.02   2.53) =   0.004%
          QG2   VAL  107 - HN    LYS+ 121   8.46 +/- 1.14   0.993% *  0.3458% (0.79   0.02   0.02) =   0.004%
          HG13  ILE  103 - HN    LYS+ 121  15.20 +/- 3.13   0.036% *  0.2257% (0.52   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LYS+ 121  19.68 +/- 0.95   0.005% *  0.2257% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LYS+ 121  22.15 +/- 3.12   0.003% *  0.0611% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.09 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.709, support = 2.17, residual support = 2.26:
          QD1   LEU  123 - HN    LYS+ 121   4.58 +/- 0.44  79.796% * 88.2125% (0.72   2.19   2.26) =  98.293%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.36 +/- 0.52  13.466% *  8.8210% (0.12   1.27   2.26) =   1.659%  kept
          QG1   VAL   70 - HN    LYS+ 121   8.91 +/- 2.49   3.197% *  0.6184% (0.55   0.02   0.02) =   0.028%
          HB3   LEU  104 - HN    LYS+ 121  10.99 +/- 3.87   1.238% *  0.8922% (0.79   0.02   0.02) =   0.015%
          HB3   LEU   63 - HN    LYS+ 121   9.12 +/- 1.69   2.137% *  0.1389% (0.12   0.02   0.02) =   0.004%
          QD1   LEU   71 - HN    LYS+ 121  15.11 +/- 2.17   0.079% *  0.8073% (0.72   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    LYS+ 121  14.24 +/- 1.06   0.088% *  0.5097% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.10 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 = 5.04, residual support = 54.9:
          HB    ILE  119 - HN    ALA  120   2.67 +/- 0.15  99.949% * 97.4788% (0.90   5.04  54.94) = 100.000%  kept
          HB3   PRO   68 - HN    ALA  120  14.12 +/- 3.62   0.017% *  0.2395% (0.56   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA  120  13.99 +/- 1.80   0.008% *  0.3298% (0.77   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ALA  120  11.70 +/- 1.14   0.018% *  0.1219% (0.28   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA  120  16.16 +/- 2.11   0.003% *  0.1770% (0.41   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA  120  18.59 +/- 1.63   0.001% *  0.3017% (0.71   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ALA  120  22.03 +/- 3.58   0.001% *  0.3939% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ALA  120  21.77 +/- 2.46   0.000% *  0.3870% (0.90   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ALA  120  22.17 +/- 2.50   0.000% *  0.3735% (0.87   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ALA  120  18.38 +/- 2.29   0.001% *  0.0985% (0.23   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ALA  120  18.68 +/- 1.44   0.001% *  0.0985% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 4.05, residual support = 14.4:
      O   QB    ALA  120 - HN    ALA  120   2.09 +/- 0.08  99.269% * 99.1734% (0.49  10.0   4.05  14.38) =  99.999%  kept
          HD2   LYS+ 121 - HN    ALA  120   5.62 +/- 1.31   0.571% *  0.0992% (0.49   1.0   0.02   2.00) =   0.001%
          HG    LEU  115 - HN    ALA  120   7.53 +/- 1.40   0.112% *  0.0992% (0.49   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120   9.68 +/- 1.88   0.031% *  0.0373% (0.18   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  12.28 +/- 3.27   0.013% *  0.0291% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA  120  14.01 +/- 3.14   0.002% *  0.1441% (0.71   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  14.36 +/- 1.31   0.001% *  0.1143% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  19.16 +/- 1.52   0.000% *  0.1740% (0.85   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  20.61 +/- 1.65   0.000% *  0.1295% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 54.9:
          QG2   ILE  119 - HN    ALA  120   3.22 +/- 0.33  98.547% * 96.6193% (0.49   5.63  54.94) =  99.992%  kept
          QD1   LEU   67 - HN    ALA  120   9.99 +/- 3.22   1.282% *  0.5220% (0.74   0.02   0.02) =   0.007%
          QD2   LEU   40 - HN    ALA  120  11.05 +/- 2.94   0.112% *  0.4982% (0.71   0.02   0.02) =   0.001%
          QG2   ILE  103 - HN    ALA  120  12.99 +/- 2.00   0.031% *  0.5846% (0.83   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    ALA  120  14.82 +/- 1.86   0.013% *  0.4734% (0.67   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ALA  120  15.56 +/- 2.18   0.010% *  0.5445% (0.77   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ALA  120  19.91 +/- 1.57   0.002% *  0.6291% (0.89   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ALA  120  19.20 +/- 1.72   0.003% *  0.1290% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 2.9, residual support = 16.1:
      O   QB    SER  117 - HN    SER  117   2.16 +/- 0.10  99.880% * 97.2780% (0.25  10.0   2.90  16.10) = 100.000%  kept
          HA    ALA  120 - HN    SER  117   7.23 +/- 0.39   0.076% *  0.3690% (0.95   1.0   0.02   6.40) =   0.000%
          HA    LYS+ 121 - HN    SER  117   8.13 +/- 0.53   0.040% *  0.2209% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER  117  14.00 +/- 1.23   0.002% *  0.2524% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER  117  17.20 +/- 1.08   0.000% *  0.3601% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER  117  17.95 +/- 1.73   0.000% *  0.1331% (0.34   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER  117  20.91 +/- 1.55   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  19.56 +/- 1.75   0.000% *  0.1899% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER  117  21.83 +/- 1.54   0.000% *  0.2981% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER  117  24.21 +/- 1.16   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  23.54 +/- 1.20   0.000% *  0.0683% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  28.10 +/- 1.77   0.000% *  0.0772% (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 617 (2.52, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.372, support = 5.44, residual support = 27.9:
          HG3   GLN  116 - HN    SER  117   5.15 +/- 0.36  39.036% * 69.2046% (0.49   5.32  27.85) =  60.211%  kept
          HG2   GLN  116 - HN    SER  117   4.79 +/- 0.60  59.832% * 29.8349% (0.20   5.64  27.85) =  39.786%  kept
          HB3   PHE   95 - HN    SER  117   9.91 +/- 1.19   1.115% *  0.1334% (0.25   0.02   0.02) =   0.003%
          HB3   TRP   87 - HN    SER  117  19.35 +/- 1.27   0.016% *  0.3028% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    SER  117  31.35 +/- 1.00   0.001% *  0.5243% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.39 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.87, residual support = 27.9:
          HB2   GLN  116 - HN    SER  117   3.21 +/- 0.23  99.885% * 98.7668% (0.97   4.87  27.85) = 100.000%  kept
          HB3   PHE   97 - HN    SER  117  12.26 +/- 2.35   0.064% *  0.4206% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    SER  117  12.45 +/- 1.88   0.049% *  0.3054% (0.73   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    SER  117  22.77 +/- 2.00   0.001% *  0.3772% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    SER  117  24.87 +/- 1.23   0.001% *  0.1298% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.06 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 7.35, residual support = 122.8:
          HG2   GLN  116 - HN    GLN  116   3.38 +/- 0.43  99.701% * 99.4314% (0.73   7.35 122.77) =  99.999%  kept
          HB3   PHE   95 - HN    GLN  116   9.49 +/- 1.20   0.299% *  0.2982% (0.80   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HN    GLN  116  30.69 +/- 0.92   0.000% *  0.2704% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 7.57, residual support = 122.8:
      O   HB2   GLN  116 - HN    GLN  116   2.11 +/- 0.08  99.979% * 99.6757% (0.98  10.0   7.57 122.77) = 100.000%  kept
          HB2   PRO   58 - HN    GLN  116  10.44 +/- 1.97   0.018% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLN  116  13.06 +/- 2.15   0.003% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  23.92 +/- 1.74   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  23.74 +/- 1.48   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  27.06 +/- 1.53   0.000% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 7.26, residual support = 95.1:
          HB2   LEU  115 - HN    GLN  116   3.20 +/- 0.43  89.095% * 68.5533% (0.80   7.42  99.38) =  95.722%  kept
          QB    GLU- 114 - HN    GLN  116   4.94 +/- 0.30   8.935% * 30.5380% (0.69   3.85   0.17) =   4.276%  kept
          HB2   LYS+ 111 - HN    GLN  116   6.64 +/- 0.96   1.791% *  0.0356% (0.15   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    GLN  116  10.90 +/- 1.70   0.145% *  0.1929% (0.84   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLN  116  17.03 +/- 3.79   0.012% *  0.1929% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    GLN  116  15.28 +/- 2.09   0.011% *  0.0949% (0.41   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLN  116  16.27 +/- 1.07   0.006% *  0.0457% (0.20   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLN  116  21.25 +/- 1.32   0.001% *  0.1765% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  19.46 +/- 1.36   0.002% *  0.0457% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  20.46 +/- 1.80   0.002% *  0.0457% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN  116  29.43 +/- 0.90   0.000% *  0.0788% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.08 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.844, support = 8.18, residual support = 98.7:
          HG    LEU  115 - HN    GLN  116   3.67 +/- 1.04  57.588% * 39.8347% (0.73   8.35  99.38) =  53.098%  kept
          HB3   LEU  115 - HN    GLN  116   4.05 +/- 0.31  38.358% * 52.0545% (0.98   8.09  99.38) =  46.217%  kept
          QB    ALA  120 - HN    GLN  116   5.98 +/- 0.63   3.920% *  7.5438% (0.73   1.58   0.38) =   0.684%  kept
          QG    LYS+  66 - HN    GLN  116  11.71 +/- 1.59   0.068% *  0.0493% (0.38   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    GLN  116  15.51 +/- 2.82   0.025% *  0.1313% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    GLN  116  16.16 +/- 2.08   0.012% *  0.1287% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    GLN  116  17.35 +/- 2.08   0.009% *  0.0639% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN  116  15.96 +/- 2.01   0.014% *  0.0292% (0.22   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN  116  19.10 +/- 1.60   0.004% *  0.0744% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  22.79 +/- 2.00   0.001% *  0.0902% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 624 (0.45, 8.17, 116.99 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 7.61, residual support = 99.4:
          QD1   LEU  115 - HN    GLN  116   3.73 +/- 0.97  99.970% * 99.6305% (0.49   7.61  99.38) = 100.000%  kept
          QG1   VAL   75 - HN    GLN  116  15.96 +/- 0.85   0.030% *  0.3695% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.04 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.566, support = 9.98, residual support = 99.3:
          QD2   LEU  115 - HN    GLN  116   3.10 +/- 0.86  87.612% * 98.5872% (0.57   9.98  99.38) =  99.956%  kept
          QD1   LEU   63 - HN    GLN  116   7.17 +/- 1.69  10.245% *  0.3128% (0.90   0.02   0.02) =   0.037%
          QD2   LEU   63 - HN    GLN  116   8.33 +/- 1.73   2.093% *  0.2914% (0.84   0.02   0.02) =   0.007%
          QD1   LEU  104 - HN    GLN  116  14.29 +/- 1.86   0.021% *  0.1077% (0.31   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    GLN  116  16.90 +/- 1.47   0.007% *  0.3128% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    GLN  116  16.46 +/- 1.38   0.008% *  0.0970% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    GLN  116  15.82 +/- 1.67   0.009% *  0.0538% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    GLN  116  19.28 +/- 1.46   0.003% *  0.1835% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  19.82 +/- 1.44   0.002% *  0.0538% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.08 A, kept.
 
    Peak 626 (1.03, 8.17, 116.99 ppm):
    4 chemical-shift based assignments, quality = 0.721, support = 1.44, residual support = 14.3:
          QD1   ILE  119 - HN    GLN  116   4.54 +/- 0.46  83.582% * 89.2156% (0.73   1.46  14.52) =  98.465%  kept
          HG3   LYS+ 112 - HN    GLN  116   6.40 +/- 0.89  15.303% *  7.4732% (0.38   0.24   0.02) =   1.510%  kept
          QG2   VAL  108 - HN    GLN  116   9.81 +/- 0.65   1.031% *  1.6850% (1.00   0.02   0.02) =   0.023%
          HB2   LEU  104 - HN    GLN  116  15.22 +/- 1.99   0.084% *  1.6262% (0.97   0.02   0.02) =   0.002%
    Distance limit 4.77 A violated in 0 structures by 0.04 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 0.75, residual support = 2.23:
          HA    LYS+ 112 - HN    LEU  115   3.30 +/- 0.28  99.947% * 94.6610% (0.90   0.75   2.23) =  99.998%  kept
          HB2   HIS  122 - HN    LEU  115  13.08 +/- 0.86   0.035% *  2.8147% (1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HN    LEU  115  14.91 +/- 1.84   0.018% *  2.5243% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (2.34, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.226, support = 5.15, residual support = 98.8:
          HB2   GLN  116 - HN    LEU  115   4.53 +/- 0.16  98.065% * 67.7463% (0.22   5.18  99.38) =  99.376%  kept
          HB2   PRO   58 - HN    LEU  115  11.29 +/- 2.25   1.373% * 30.2041% (0.80   0.64   0.02) =   0.620%  kept
          HG2   PRO   52 - HN    LEU  115  13.12 +/- 1.90   0.250% *  0.5266% (0.45   0.02   0.02) =   0.002%
          HB3   PHE   97 - HN    LEU  115  12.53 +/- 1.79   0.300% *  0.4007% (0.34   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    LEU  115  23.29 +/- 1.41   0.006% *  0.1812% (0.15   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    LEU  115  23.73 +/- 1.41   0.005% *  0.1812% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    LEU  115  30.42 +/- 0.88   0.001% *  0.7599% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.30 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.796, support = 7.26, residual support = 218.2:
      O   HB2   LEU  115 - HN    LEU  115   2.19 +/- 0.26  80.150% * 82.6593% (0.80  10.0   7.36 226.29) =  96.160%  kept
          QB    GLU- 114 - HN    LEU  115   3.10 +/- 0.45  15.618% * 16.9345% (0.69   1.0   4.78  14.91) =   3.839%  kept
          HB2   LYS+ 111 - HN    LEU  115   4.80 +/- 1.47   4.219% *  0.0159% (0.15   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    LEU  115  11.35 +/- 2.08   0.011% *  0.0862% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LEU  115  18.35 +/- 3.63   0.001% *  0.0862% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  16.37 +/- 1.98   0.001% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  16.43 +/- 1.02   0.001% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  21.21 +/- 1.14   0.000% *  0.0789% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  19.96 +/- 1.35   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  21.17 +/- 1.53   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  28.49 +/- 0.97   0.000% *  0.0352% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 0.949, support = 7.46, residual support = 226.3:
      O   HB3   LEU  115 - HN    LEU  115   3.13 +/- 0.40  66.301% * 77.9541% (0.98  10.0   7.45 226.29) =  87.751%  kept
          HG    LEU  115 - HN    LEU  115   3.79 +/- 0.62  33.332% * 21.6448% (0.73   1.0   7.50 226.29) =  12.249%  kept
          QB    ALA  120 - HN    LEU  115   7.80 +/- 0.54   0.330% *  0.0577% (0.73   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU  115  13.21 +/- 1.70   0.018% *  0.0298% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU  115  16.70 +/- 2.84   0.006% *  0.0795% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU  115  16.26 +/- 1.75   0.005% *  0.0780% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  17.69 +/- 1.87   0.003% *  0.0387% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU  115  18.76 +/- 1.38   0.002% *  0.0450% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  17.05 +/- 1.80   0.003% *  0.0177% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  21.99 +/- 1.82   0.001% *  0.0546% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.02 A, kept.
 
    Peak 631 (1.14, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.53, support = 1.78, residual support = 8.32:
          QG2   VAL  107 - HN    LEU  115   3.28 +/- 0.67  88.473% * 67.9193% (0.53   1.81   8.32) =  98.063%  kept
          HG13  ILE  119 - HN    LEU  115   7.31 +/- 1.27   4.158% * 28.1379% (0.73   0.54   8.44) =   1.909%  kept
          HD3   LYS+ 112 - HN    LEU  115   6.25 +/- 1.21   7.284% *  0.2206% (0.15   0.02   2.23) =   0.026%
          HG2   LYS+ 121 - HN    LEU  115  11.43 +/- 1.02   0.072% *  1.0927% (0.76   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    LEU  115  18.49 +/- 1.30   0.005% *  1.4267% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LEU  115  15.62 +/- 1.39   0.008% *  0.2206% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LEU  115  24.12 +/- 1.75   0.001% *  0.9822% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 8.97, residual support = 226.3:
          QD2   LEU  115 - HN    LEU  115   3.68 +/- 0.72  97.628% * 98.8119% (0.65   8.97 226.29) =  99.997%  kept
          QD1   LEU   63 - HN    LEU  115   7.78 +/- 1.25   2.197% *  0.1051% (0.31   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU  115  14.23 +/- 1.44   0.050% *  0.3055% (0.90   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU  115  13.28 +/- 1.45   0.088% *  0.1162% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU  115  18.70 +/- 1.59   0.009% *  0.3222% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU  115  18.28 +/- 1.40   0.010% *  0.2340% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU  115  16.53 +/- 1.26   0.019% *  0.1051% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 7.36, residual support = 226.3:
          QD1   LEU  115 - HN    LEU  115   3.54 +/- 0.65  99.975% * 99.6802% (0.80   7.36 226.29) = 100.000%  kept
          QG1   VAL   75 - HN    LEU  115  14.86 +/- 0.80   0.025% *  0.3198% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 0.558, support = 6.75, residual support = 135.6:
      O   HB    ILE  103 - HN    ILE  103   2.16 +/- 0.10  80.231% * 65.0223% (0.53  10.0   6.73 135.65) =  88.558%  kept
          HG12  ILE  103 - HN    ILE  103   2.81 +/- 0.27  19.675% * 34.2585% (0.80   1.0   6.92 135.65) =  11.442%  kept
          HB    VAL   41 - HN    ILE  103   7.80 +/- 0.83   0.043% *  0.0799% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE  103   8.00 +/- 0.81   0.036% *  0.0245% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE  103   9.36 +/- 0.64   0.013% *  0.0554% (0.45   1.0   0.02   2.59) =   0.000%
          QB    LYS+  33 - HN    ILE  103  15.32 +/- 1.28   0.001% *  0.0422% (0.34   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ILE  103  21.01 +/- 3.48   0.000% *  0.1211% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  18.95 +/- 1.66   0.000% *  0.0554% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  20.38 +/- 2.17   0.000% *  0.0700% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  19.45 +/- 2.38   0.000% *  0.0344% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  23.57 +/- 1.27   0.000% *  0.1211% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  18.87 +/- 1.53   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  19.89 +/- 0.95   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  26.69 +/- 1.40   0.000% *  0.0602% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 6.1, residual support = 135.6:
          HG13  ILE  103 - HN    ILE  103   3.89 +/- 0.18  99.452% * 98.5141% (0.65   6.10 135.65) =  99.999%  kept
          QG2   VAL  107 - HN    ILE  103  12.87 +/- 0.68   0.085% *  0.4948% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  103  11.10 +/- 1.89   0.393% *  0.0874% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ILE  103  16.22 +/- 4.07   0.043% *  0.4818% (0.97   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  103  18.48 +/- 1.35   0.010% *  0.3230% (0.65   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ILE  103  17.59 +/- 2.53   0.017% *  0.0988% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.08 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.827, support = 6.05, residual support = 135.6:
          QG2   ILE  103 - HN    ILE  103   3.57 +/- 0.08  46.898% * 70.3004% (1.00   6.23 135.65) =  68.625%  kept
          QD1   ILE  103 - HN    ILE  103   3.46 +/- 0.59  52.414% * 28.7555% (0.45   5.68 135.65) =  31.372%  kept
          QD2   LEU   40 - HN    ILE  103   7.29 +/- 0.40   0.641% *  0.2179% (0.97   0.02   0.02) =   0.003%
          QD1   LEU   67 - HN    ILE  103  15.25 +/- 2.66   0.015% *  0.2214% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ILE  103  13.69 +/- 0.76   0.014% *  0.1279% (0.57   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ILE  103  14.81 +/- 1.23   0.009% *  0.0928% (0.41   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    ILE  103  16.22 +/- 2.49   0.007% *  0.0628% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ILE  103  20.23 +/- 1.12   0.001% *  0.2214% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.45, support = 7.39, residual support = 216.6:
          HG    LEU  104 - HN    LEU  104   3.29 +/- 0.36  95.936% * 85.3831% (0.45   7.43 217.85) =  99.435%  kept
          HG2   LYS+ 106 - HN    LEU  104   5.96 +/- 0.61   3.601% * 12.8863% (0.69   0.73   0.02) =   0.563%  kept
          HB3   LYS+ 121 - HN    LEU  104  10.64 +/- 4.08   0.441% *  0.2298% (0.45   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HN    LEU  104  17.24 +/- 2.01   0.008% *  0.5080% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LEU  104  16.91 +/- 2.64   0.008% *  0.2902% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LEU  104  18.69 +/- 1.03   0.004% *  0.3109% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LEU  104  20.18 +/- 1.16   0.002% *  0.3917% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.02 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.26, support = 7.06, residual support = 161.2:
      O   HB2   LEU  104 - HN    LEU  104   2.56 +/- 0.36  50.905% * 66.8076% (0.22  10.0   7.39 217.85) =  68.856%  kept
          QG2   ILE  103 - HN    LEU  104   2.57 +/- 0.49  47.478% * 32.3935% (0.34   1.0   6.33  36.05) =  31.139%  kept
          QD2   LEU   40 - HN    LEU  104   4.78 +/- 0.64   1.599% *  0.1461% (0.49   1.0   0.02   0.02) =   0.005%
          QD1   LEU   67 - HN    LEU  104  12.35 +/- 2.81   0.011% *  0.1345% (0.45   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    LEU  104  12.58 +/- 2.21   0.004% *  0.1461% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU  104  14.20 +/- 0.94   0.002% *  0.2974% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU  104  18.80 +/- 0.86   0.000% *  0.0748% (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 639 (0.72, 9.38, 128.74 ppm):
    5 chemical-shift based assignments, quality = 0.785, support = 7.53, residual support = 189.0:
          QD2   LEU  104 - HN    LEU  104   3.30 +/- 0.59  77.172% * 64.8432% (0.80   7.93 217.85) =  86.274%  kept
          QD1   LEU   98 - HN    LEU  104   4.19 +/- 0.61  22.802% * 34.9163% (0.69   4.98   7.72) =  13.726%  kept
          QD1   ILE   19 - HN    LEU  104  16.50 +/- 1.24   0.007% *  0.1320% (0.65   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU  104  15.59 +/- 1.00   0.010% *  0.0630% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LEU  104  15.10 +/- 0.83   0.010% *  0.0454% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 640 (3.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.682, support = 7.5, residual support = 58.0:
          HB2   PHE   97 - HN    ASP- 105   2.25 +/- 0.46  95.703% * 80.0928% (0.69   7.53  58.42) =  98.983%  kept
          QE    LYS+ 106 - HN    ASP- 105   5.32 +/- 1.31   4.137% * 19.0347% (0.25   4.93  21.45) =   1.017%  kept
          QE    LYS+  99 - HN    ASP- 105   7.61 +/- 0.99   0.099% *  0.2778% (0.90   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ASP- 105   9.26 +/- 0.83   0.053% *  0.1274% (0.41   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ASP- 105  15.42 +/- 0.89   0.002% *  0.2004% (0.65   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ASP- 105  16.08 +/- 0.82   0.001% *  0.2249% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ASP- 105  13.70 +/- 1.69   0.005% *  0.0419% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 5.48, residual support = 58.4:
          HB3   PHE   97 - HN    ASP- 105   2.82 +/- 0.58  99.947% * 98.6851% (0.90   5.48  58.42) = 100.000%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.40 +/- 0.72   0.041% *  0.4018% (1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    ASP- 105  14.98 +/- 1.42   0.007% *  0.3938% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ASP- 105  19.21 +/- 1.68   0.002% *  0.1801% (0.45   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    ASP- 105  18.18 +/- 1.15   0.002% *  0.1117% (0.28   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    ASP- 105  20.77 +/- 0.68   0.001% *  0.2275% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.01 A, kept.
 
    Peak 642 (2.24, 7.80, 116.22 ppm):
    11 chemical-shift based assignments, quality = 0.801, support = 4.7, residual support = 42.3:
      O   HB2   ASP- 105 - HN    ASP- 105   3.37 +/- 0.36  99.712% * 99.3924% (0.80  10.0   4.70  42.29) = 100.000%  kept
          HG12  ILE  119 - HN    ASP- 105  11.17 +/- 2.66   0.143% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP- 105  12.33 +/- 1.11   0.052% *  0.0604% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ASP- 105  12.68 +/- 0.68   0.046% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP- 105  13.98 +/- 0.60   0.025% *  0.0345% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP- 105  18.18 +/- 1.23   0.006% *  0.1241% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP- 105  17.50 +/- 1.45   0.007% *  0.0423% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP- 105  20.74 +/- 1.02   0.002% *  0.1217% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    ASP- 105  20.94 +/- 0.72   0.002% *  0.0703% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  18.73 +/- 2.08   0.005% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP- 105  21.85 +/- 1.96   0.002% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 0.767, support = 4.64, residual support = 42.0:
      O   HB3   ASP- 105 - HN    ASP- 105   2.91 +/- 0.47  93.001% * 76.6503% (0.76  10.0   4.64  42.29) =  98.615%  kept
          QB    LYS+ 106 - HN    ASP- 105   5.15 +/- 0.24   4.423% * 22.5942% (0.98   1.0   4.60  21.45) =   1.382%  kept
          HB    ILE  103 - HN    ASP- 105   6.00 +/- 0.61   2.534% *  0.0689% (0.69   1.0   0.02   2.59) =   0.002%
          HG3   PRO   68 - HN    ASP- 105  15.88 +/- 2.76   0.012% *  0.0649% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP- 105  14.94 +/- 0.83   0.008% *  0.0728% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASP- 105  16.28 +/- 1.41   0.005% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP- 105  16.17 +/- 0.86   0.004% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP- 105  15.98 +/- 1.33   0.005% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  17.20 +/- 0.99   0.003% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP- 105  20.10 +/- 1.32   0.001% *  0.0926% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP- 105  20.66 +/- 1.09   0.001% *  0.0968% (0.97   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  22.75 +/- 0.91   0.001% *  0.0728% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  20.05 +/- 1.35   0.001% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 644 (1.55, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.511, support = 5.77, residual support = 34.2:
          HG    LEU  104 - HN    ASP- 105   4.40 +/- 0.45  66.100% * 50.9176% (0.45   6.42  38.80) =  73.477%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.33 +/- 0.50  25.341% * 47.8886% (0.69   3.94  21.45) =  26.493%  kept
          HB3   LYS+ 121 - HN    ASP- 105   8.58 +/- 4.11   8.430% *  0.1585% (0.45   0.02   0.02) =   0.029%
          HB3   LYS+ 111 - HN    ASP- 105  14.86 +/- 2.83   0.092% *  0.2002% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    ASP- 105  18.26 +/- 1.88   0.017% *  0.3504% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ASP- 105  18.17 +/- 0.94   0.015% *  0.2145% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    ASP- 105  20.64 +/- 1.05   0.007% *  0.2702% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 645 (1.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.241, support = 5.73, residual support = 33.3:
          HB2   LEU  104 - HN    ASP- 105   2.57 +/- 0.57  72.608% * 64.3128% (0.22   6.38  38.80) =  84.773%  kept
          QG2   ILE  103 - HN    ASP- 105   3.28 +/- 0.50  25.177% * 33.2756% (0.34   2.15   2.59) =  15.209%  kept
          QD2   LEU   40 - HN    ASP- 105   4.92 +/- 0.67   2.152% *  0.4409% (0.49   0.02   0.02) =   0.017%
          QD1   LEU   67 - HN    ASP- 105  11.51 +/- 3.00   0.044% *  0.4061% (0.45   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    ASP- 105  10.93 +/- 2.09   0.017% *  0.4409% (0.49   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ASP- 105  14.35 +/- 0.89   0.002% *  0.8978% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ASP- 105  18.49 +/- 0.91   0.001% *  0.2259% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 3.78, residual support = 21.4:
          HB2   ASP- 105 - HN    LYS+ 106   2.95 +/- 0.37  99.539% * 97.8005% (0.98   3.78  21.45) =  99.999%  kept
          HG12  ILE  119 - HN    LYS+ 106   9.86 +/- 2.00   0.210% *  0.2168% (0.41   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    LYS+ 106   8.48 +/- 0.74   0.232% *  0.1628% (0.31   0.02   1.97) =   0.000%
          HG3   MET   92 - HN    LYS+ 106  15.44 +/- 1.29   0.007% *  0.4729% (0.90   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    LYS+ 106  16.56 +/- 1.06   0.005% *  0.4030% (0.76   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LYS+ 106  20.84 +/- 0.73   0.001% *  0.4405% (0.84   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LYS+ 106  16.26 +/- 1.40   0.005% *  0.0814% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    LYS+ 106  23.35 +/- 0.87   0.001% *  0.4222% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.02 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.963, support = 5.24, residual support = 126.6:
      O   QB    LYS+ 106 - HN    LYS+ 106   3.24 +/- 0.25  63.560% * 86.3825% (0.98  10.0   5.36 135.59) =  92.150%  kept
          HB3   ASP- 105 - HN    LYS+ 106   3.67 +/- 0.60  36.106% * 12.9536% (0.76   1.0   3.85  21.45) =   7.850%  kept
          HB    ILE  103 - HN    LYS+ 106   8.07 +/- 0.40   0.296% *  0.0605% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+ 106  13.79 +/- 1.36   0.013% *  0.0764% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  14.55 +/- 1.04   0.009% *  0.0331% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  17.74 +/- 3.21   0.005% *  0.0570% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+ 106  18.43 +/- 1.31   0.002% *  0.0814% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+ 106  19.19 +/- 0.90   0.002% *  0.0764% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  19.06 +/- 0.78   0.002% *  0.0640% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+ 106  20.50 +/- 1.09   0.001% *  0.0850% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  18.63 +/- 0.92   0.002% *  0.0464% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  20.66 +/- 0.81   0.001% *  0.0640% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  18.69 +/- 1.49   0.002% *  0.0196% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 2.71, residual support = 3.21:
          QG2   THR  118 - HN    LYS+ 106   5.26 +/- 2.41 100.000% *100.0000% (0.53   2.71   3.21) = 100.000%  kept
    Distance limit 4.59 A violated in 7 structures by 1.18 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 45.2:
          HB2   PHE   95 - HN    VAL  107   3.08 +/- 0.41 100.000% *100.0000% (1.00   2.31  45.23) = 100.000%  kept
    Distance limit 4.33 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 = 58.0:
      O   HB    VAL  107 - HN    VAL  107   2.39 +/- 0.21  99.960% * 99.7350% (0.99  10.0   3.33  58.03) = 100.000%  kept
          HB3   PHE   45 - HN    VAL  107  10.13 +/- 0.82   0.021% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    VAL  107  10.78 +/- 1.43   0.018% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    VAL  107  18.82 +/- 0.78   0.001% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    VAL  107  21.40 +/- 0.96   0.000% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  23.57 +/- 1.05   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (1.88, 9.57, 125.50 ppm):
    13 chemical-shift based assignments, quality = 0.526, support = 5.1, residual support = 25.6:
          QB    LYS+ 106 - HN    VAL  107   3.15 +/- 0.16  97.899% * 95.3121% (0.53   5.10  25.65) =  99.995%  kept
          HB3   ASP- 105 - HN    VAL  107   6.32 +/- 0.51   1.771% *  0.1771% (0.25   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    VAL  107  10.29 +/- 1.57   0.136% *  0.6555% (0.92   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    VAL  107  11.27 +/- 0.77   0.055% *  0.6369% (0.90   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL  107  10.12 +/- 0.68   0.102% *  0.1405% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    VAL  107  15.55 +/- 1.55   0.009% *  0.5157% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    VAL  107  17.52 +/- 1.10   0.004% *  0.6961% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    VAL  107  16.07 +/- 0.97   0.006% *  0.2919% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    VAL  107  18.39 +/- 1.12   0.003% *  0.3457% (0.49   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL  107  17.52 +/- 3.11   0.008% *  0.1244% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    VAL  107  20.60 +/- 0.59   0.001% *  0.7038% (0.99   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL  107  16.80 +/- 0.95   0.005% *  0.1581% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    VAL  107  18.87 +/- 0.78   0.002% *  0.2422% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 58.0:
          QG1   VAL  107 - HN    VAL  107   3.09 +/- 0.54  99.522% * 90.6149% (0.20   3.84  58.03) =  99.990%  kept
          HG13  ILE  119 - HN    VAL  107   8.78 +/- 1.83   0.320% *  2.3621% (0.99   0.02   0.02) =   0.008%
          HD3   LYS+ 112 - HN    VAL  107  12.52 +/- 1.64   0.056% *  1.4455% (0.61   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    VAL  107  11.50 +/- 2.55   0.080% *  0.5942% (0.25   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    VAL  107  16.00 +/- 1.21   0.008% *  1.4455% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  107  15.80 +/- 1.64   0.010% *  1.1600% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  107  17.69 +/- 1.41   0.004% *  2.3779% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 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   2.87 +/- 0.46  99.695% * 99.4150% (0.95  10.0   4.08  62.13) = 100.000%  kept
          HB2   PRO   93 - HN    VAL  108  10.71 +/- 2.00   0.176% *  0.0994% (0.95   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    VAL  108  11.38 +/- 1.48   0.048% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  13.38 +/- 2.21   0.055% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    VAL  108  16.79 +/- 1.42   0.004% *  0.1030% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    VAL  108  14.75 +/- 2.06   0.016% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  21.06 +/- 1.01   0.001% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  21.44 +/- 1.73   0.001% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  21.97 +/- 0.55   0.001% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  21.47 +/- 2.99   0.002% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  27.75 +/- 2.21   0.000% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  34.89 +/- 4.01   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (1.13, 9.14, 128.89 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 3.64, residual support = 15.3:
          QG2   VAL  107 - HN    VAL  108   3.41 +/- 0.26  99.630% * 92.9874% (0.28   3.64  15.34) =  99.995%  kept
          HG13  ILE  119 - HN    VAL  108  10.94 +/- 1.50   0.155% *  1.7394% (0.95   0.02   0.02) =   0.003%
          HG2   LYS+ 121 - HN    VAL  108  12.70 +/- 2.90   0.087% *  0.8950% (0.49   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    VAL  108  12.17 +/- 1.62   0.114% *  0.6272% (0.34   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    VAL  108  18.45 +/- 1.66   0.006% *  1.5950% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  108  21.24 +/- 1.26   0.002% *  1.6974% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  108  18.04 +/- 1.66   0.006% *  0.4585% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.05 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   3.81 +/- 0.34  99.337% * 95.2124% (0.25   4.10  15.34) =  99.990%  kept
          HG    LEU   63 - HN    VAL  108  13.35 +/- 2.54   0.317% *  1.7967% (0.97   0.02   0.02) =   0.006%
          HG3   LYS+ 112 - HN    VAL  108  11.02 +/- 1.55   0.334% *  1.1292% (0.61   0.02   0.02) =   0.004%
          QG2   VAL   24 - HN    VAL  108  18.10 +/- 1.29   0.011% *  1.8617% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 1 structures by 0.42 A, kept.
 
    Peak 659 (3.73, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.64, residual support = 27.4:
      O   HA    VAL   75 - HN    ASP-  76   2.19 +/- 0.02  99.998% * 99.6957% (0.69  10.0   4.64  27.37) = 100.000%  kept
          HA    ALA   61 - HN    ASP-  76  14.36 +/- 0.79   0.001% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASP-  76  16.57 +/- 0.79   0.001% *  0.1340% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASP-  76  21.30 +/- 1.43   0.000% *  0.0706% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 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   2.37 +/- 0.24  99.635% * 99.7699% (1.00  10.0   3.71  36.07) = 100.000%  kept
          HB2   ASP-  78 - HN    ASP-  76   6.67 +/- 0.72   0.357% *  0.0724% (0.73   1.0   0.02   2.85) =   0.000%
          HB2   ASN   28 - HN    ASP-  76  12.45 +/- 0.89   0.006% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  15.12 +/- 1.38   0.002% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  76  22.83 +/- 0.49   0.000% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    ASP-  76  21.87 +/- 1.28   0.000% *  0.0222% (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 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   3.07 +/- 0.35  99.550% * 97.9021% (0.28  10.0   3.75  36.07) =  99.999%  kept
          HB2   ASP-  44 - HN    ASP-  76   8.52 +/- 0.43   0.278% *  0.1579% (0.45   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP-  76  11.16 +/- 1.59   0.082% *  0.2278% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP-  76  12.88 +/- 0.72   0.024% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP-  76  12.11 +/- 0.32   0.032% *  0.1994% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP-  76  14.00 +/- 0.78   0.014% *  0.3054% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  76  16.91 +/- 1.94   0.006% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  76  17.21 +/- 2.43   0.007% *  0.1201% (0.34   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  76  18.62 +/- 1.54   0.003% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    ASP-  76  19.10 +/- 1.12   0.002% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP-  76  22.70 +/- 1.38   0.001% *  0.0784% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 27.4:
          QG1   VAL   75 - HN    ASP-  76   2.96 +/- 0.23  99.991% * 99.7156% (0.69   4.97  27.37) = 100.000%  kept
          QD1   LEU  115 - HN    ASP-  76  15.09 +/- 1.69   0.009% *  0.2844% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 27.4:
          QG2   VAL   75 - HN    ASP-  76   3.83 +/- 0.37  99.901% * 99.6074% (0.98   4.64  27.37) = 100.000%  kept
          QG2   VAL   42 - HN    ASP-  76  12.31 +/- 0.59   0.099% *  0.3926% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 664 (3.69, 8.60, 114.88 ppm):
    6 chemical-shift based assignments, quality = 0.427, support = 2.2, residual support = 9.19:
      O   HA2   GLY  109 - HN    GLY  109   2.55 +/- 0.22  99.907% * 99.3336% (0.43  10.0   2.20   9.19) = 100.000%  kept
          HA    THR  118 - HN    GLY  109  11.71 +/- 2.35   0.073% *  0.1522% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    GLY  109  13.27 +/- 1.83   0.011% *  0.1693% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    GLY  109  14.64 +/- 1.99   0.004% *  0.1341% (0.58   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    GLY  109  16.26 +/- 2.95   0.003% *  0.1620% (0.70   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    GLY  109  16.94 +/- 1.82   0.001% *  0.0488% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.68, support = 0.0199, residual support = 0.0199:
          HG3   LYS+ 111 - HN    GLY  109   6.97 +/- 1.50  75.194% * 20.3763% (0.70   0.02   0.02) =  83.750%  kept
          HG12  ILE   89 - HN    GLY  109  11.62 +/- 2.78  10.785% * 21.3024% (0.73   0.02   0.02) =  12.558%  kept
          HD2   LYS+ 112 - HN    GLY  109  11.12 +/- 2.01  13.189% *  4.3683% (0.15   0.02   0.02) =   3.149%  kept
          HG2   LYS+  74 - HN    GLY  109  16.37 +/- 1.50   0.474% * 13.3882% (0.46   0.02   0.02) =   0.347%
          HG3   LYS+  99 - HN    GLY  109  21.96 +/- 0.62   0.097% * 12.4970% (0.43   0.02   0.02) =   0.066%
          HG    LEU   71 - HN    GLY  109  22.27 +/- 1.21   0.082% * 14.2794% (0.49   0.02   0.02) =   0.064%
          HG13  ILE   19 - HN    GLY  109  22.40 +/- 1.86   0.080% *  8.2844% (0.28   0.02   0.02) =   0.036%
          HB3   LEU   71 - HN    GLY  109  21.22 +/- 1.26   0.100% *  5.5041% (0.19   0.02   0.02) =   0.030%
    Distance limit 4.53 A violated in 18 structures by 1.86 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 = 7.63:
          QG1   VAL  108 - HN    GLY  109   2.61 +/- 0.38  99.606% * 98.9381% (0.65   3.09   7.63) =  99.999%  kept
          HB3   LEU   63 - HN    GLY  109  15.26 +/- 2.58   0.375% *  0.2517% (0.26   0.02   0.02) =   0.001%
          QD2   LEU   67 - HN    GLY  109  17.69 +/- 2.74   0.013% *  0.3034% (0.31   0.02   0.02) =   0.000%
          QD1   LEU   40 - HN    GLY  109  14.66 +/- 0.94   0.006% *  0.5069% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 6.39:
      O   HA2   GLY  109 - HN    ALA  110   2.96 +/- 0.31  99.899% * 99.3336% (0.57  10.0   2.20   6.39) = 100.000%  kept
          HA    THR  118 - HN    ALA  110  11.92 +/- 1.83   0.058% *  0.1522% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA  110  13.27 +/- 1.69   0.024% *  0.1693% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  110  16.46 +/- 2.94   0.008% *  0.1620% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  110  16.28 +/- 2.18   0.007% *  0.1341% (0.76   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  110  17.99 +/- 2.73   0.004% *  0.0488% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 669 (1.84, 8.75, 122.21 ppm):
    14 chemical-shift based assignments, quality = 0.681, support = 0.0198, residual support = 0.0198:
          HB3   PRO   52 - HN    ALA  110   8.55 +/- 2.45  25.321% * 13.7167% (0.98   0.02   0.02) =  58.029%  kept
          HG2   PRO   93 - HN    ALA  110   7.52 +/- 3.08  50.677% *  3.1155% (0.22   0.02   0.02) =  26.379%  kept
          QB    LYS+ 106 - HN    ALA  110   8.61 +/- 0.92  18.100% *  2.7693% (0.20   0.02   0.02) =   8.375%  kept
          HB3   ASP- 105 - HN    ALA  110  13.40 +/- 1.18   1.408% *  6.2738% (0.45   0.02   0.02) =   1.476%  kept
          HG    LEU  123 - HN    ALA  110  17.85 +/- 2.10   0.600% * 13.7167% (0.98   0.02   0.02) =   1.374%  kept
          HG2   ARG+  54 - HN    ALA  110  13.85 +/- 2.53   1.095% *  6.8115% (0.49   0.02   0.02) =   1.246%  kept
          QB    LYS+  66 - HN    ALA  110  17.09 +/- 2.44   1.111% *  6.2738% (0.45   0.02   0.02) =   1.165%  kept
          HG12  ILE  103 - HN    ALA  110  16.72 +/- 1.38   0.395% * 11.2053% (0.80   0.02   0.02) =   0.739%  kept
          HB    ILE  103 - HN    ALA  110  16.79 +/- 1.30   0.384% *  7.3624% (0.53   0.02   0.02) =   0.472%
          HB3   GLN   90 - HN    ALA  110  15.56 +/- 1.86   0.528% *  3.8908% (0.28   0.02   0.02) =   0.343%
          HB    VAL   41 - HN    ALA  110  19.35 +/- 1.73   0.134% *  9.0526% (0.65   0.02   0.02) =   0.202%
          HG3   PRO   68 - HN    ALA  110  22.70 +/- 3.48   0.078% *  7.9226% (0.57   0.02   0.02) =   0.103%
          QB    LYS+  81 - HN    ALA  110  19.66 +/- 1.89   0.139% *  3.1155% (0.22   0.02   0.02) =   0.072%
          QB    LYS+  33 - HN    ALA  110  24.73 +/- 2.06   0.031% *  4.7734% (0.34   0.02   0.02) =   0.025%
    Distance limit 4.30 A violated in 15 structures by 1.84 A, eliminated.
    Peak unassigned.
 
    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   2.64 +/- 0.26  99.532% * 98.9553% (0.69  10.0   2.12   9.59) = 100.000%  kept
          HB3   LEU  115 - HN    ALA  110   7.54 +/- 1.52   0.447% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA  110  13.87 +/- 2.66   0.010% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA  110  17.60 +/- 2.58   0.003% *  0.1428% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA  110  21.04 +/- 2.90   0.001% *  0.1412% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA  110  19.72 +/- 2.81   0.001% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  20.85 +/- 3.69   0.002% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA  110  20.20 +/- 2.24   0.001% *  0.1046% (0.73   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  18.79 +/- 1.79   0.001% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  22.23 +/- 1.65   0.000% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  19.55 +/- 2.81   0.001% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  23.18 +/- 3.12   0.000% *  0.0874% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (2.02, 7.58, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 315.4:
      O   HB2   LYS+ 111 - HN    LYS+ 111   3.25 +/- 0.55  72.082% * 99.3619% (1.00  10.0   7.06 315.47) =  99.980%  kept
          QB    GLU- 114 - HN    LYS+ 111   4.07 +/- 0.83  27.831% *  0.0524% (0.53   1.0   0.02   0.11) =   0.020%
          HB    ILE  119 - HN    LYS+ 111  11.12 +/- 1.55   0.079% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 111  23.00 +/- 3.60   0.001% *  0.0893% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  22.42 +/- 3.27   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  23.91 +/- 2.73   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  22.23 +/- 3.84   0.002% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  23.14 +/- 2.74   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  24.52 +/- 2.97   0.001% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  28.88 +/- 2.04   0.000% *  0.0864% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  24.36 +/- 2.40   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  26.82 +/- 2.25   0.000% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.03 A, kept.
 
    Peak 672 (1.52, 7.58, 125.75 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.5, residual support = 315.5:
      O   HB3   LYS+ 111 - HN    LYS+ 111   2.61 +/- 0.49  99.979% * 99.4649% (0.92  10.0   5.50 315.47) = 100.000%  kept
          HB3   LYS+ 121 - HN    LYS+ 111  14.34 +/- 1.35   0.006% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+ 111  13.54 +/- 1.92   0.010% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+ 111  17.53 +/- 3.01   0.002% *  0.0863% (0.80   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LYS+ 111  17.93 +/- 2.67   0.001% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+ 111  18.86 +/- 2.04   0.001% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  20.20 +/- 3.04   0.001% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  21.68 +/- 2.37   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  28.36 +/- 3.08   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.07 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 6.55, residual support = 315.5:
          HG3   LYS+ 111 - HN    LYS+ 111   3.30 +/- 0.49  99.471% * 98.8205% (0.92   6.55 315.47) = 100.000%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   8.48 +/- 0.58   0.493% *  0.0647% (0.20   0.02  28.12) =   0.000%
          HG12  ILE   89 - HN    LYS+ 111  15.40 +/- 2.94   0.023% *  0.3156% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    LYS+ 111  18.28 +/- 2.70   0.007% *  0.1983% (0.61   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    LYS+ 111  23.55 +/- 2.57   0.001% *  0.2115% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    LYS+ 111  22.94 +/- 2.23   0.001% *  0.1851% (0.57   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    LYS+ 111  23.40 +/- 2.94   0.002% *  0.1227% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 111  22.33 +/- 2.65   0.002% *  0.0815% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 1 structures by 0.15 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.08, residual support = 2.08:
          QD1   ILE   56 - HN    LYS+ 111   6.07 +/- 2.97  93.961% * 97.3878% (0.76   2.08   2.08) =  99.950%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  14.64 +/- 1.40   2.533% *  1.1813% (0.97   0.02   0.02) =   0.033%
          QD2   LEU  123 - HN    LYS+ 111  14.81 +/- 1.48   2.921% *  0.4175% (0.34   0.02   0.02) =   0.013%
          QD2   LEU   73 - HN    LYS+ 111  18.14 +/- 2.24   0.457% *  0.5958% (0.49   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    LYS+ 111  24.05 +/- 2.38   0.127% *  0.4175% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 9 structures by 2.43 A, kept.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.73, residual support = 231.1:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.78 +/- 0.06  99.987% * 99.8622% (0.87  10.0   5.73 231.10) = 100.000%  kept
          HB    THR   46 - HN    LYS+ 112  15.24 +/- 2.39   0.011% *  0.0393% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    LYS+ 112  17.27 +/- 1.04   0.002% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  28.61 +/- 2.36   0.000% *  0.0287% (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 676 (2.02, 8.49, 124.18 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 7.07, residual support = 28.1:
          HB2   LYS+ 111 - HN    LYS+ 112   3.67 +/- 0.33  88.836% * 97.8549% (0.87   7.07  28.12) =  99.988%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.43 +/- 0.47  10.732% *  0.0887% (0.28   0.02   0.02) =   0.011%
          HB    ILE  119 - HN    LYS+ 112  10.51 +/- 0.86   0.191% *  0.1553% (0.49   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+ 112  11.26 +/- 0.66   0.132% *  0.0887% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+ 112  11.98 +/- 1.27   0.092% *  0.0710% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 112  22.72 +/- 3.17   0.003% *  0.3190% (1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 112  21.82 +/- 2.14   0.003% *  0.2554% (0.80   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 112  23.62 +/- 1.90   0.002% *  0.2554% (0.80   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 112  25.63 +/- 1.93   0.001% *  0.2554% (0.80   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 112  21.91 +/- 3.62   0.004% *  0.0559% (0.18   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 112  25.60 +/- 1.59   0.001% *  0.1553% (0.49   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 112  23.51 +/- 1.66   0.002% *  0.0710% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 112  28.80 +/- 1.28   0.000% *  0.1806% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 112  30.25 +/- 1.86   0.000% *  0.1935% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 677 (1.39, 8.49, 124.18 ppm):
    13 chemical-shift based assignments, quality = 0.764, support = 5.71, residual support = 231.1:
      O   HB2   LYS+ 112 - HN    LYS+ 112   2.62 +/- 0.61  98.431% * 98.9690% (0.76  10.0   5.71 231.10) = 100.000%  kept
          HB3   PRO   93 - HN    LYS+ 112  10.34 +/- 2.49   1.551% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+ 112  15.53 +/- 1.06   0.004% *  0.0838% (0.65   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+ 112  15.02 +/- 1.91   0.007% *  0.0486% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 112  19.04 +/- 2.21   0.001% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 112  18.62 +/- 1.28   0.001% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+ 112  19.61 +/- 0.95   0.001% *  0.0890% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 112  21.30 +/- 1.69   0.001% *  0.1123% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 112  20.81 +/- 1.72   0.001% *  0.0532% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  25.76 +/- 1.43   0.000% *  0.1082% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  22.98 +/- 2.11   0.001% *  0.0323% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  28.33 +/- 2.75   0.000% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  29.34 +/- 1.64   0.000% *  0.1250% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.889, support = 5.71, residual support = 231.1:
      O   HB3   LYS+ 112 - HN    LYS+ 112   2.86 +/- 0.64  86.838% * 84.5028% (0.90  10.0   5.69 231.10) =  98.064%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.83 +/- 0.57   9.464% * 15.3009% (0.49   1.0   6.67 231.10) =   1.935%  kept
          QG2   VAL  107 - HN    LYS+ 112   5.90 +/- 0.82   3.632% *  0.0186% (0.20   1.0   0.02   0.02) =   0.001%
          QG2   THR   94 - HN    LYS+ 112  10.21 +/- 1.01   0.064% *  0.0817% (0.87   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LYS+ 112  18.98 +/- 1.28   0.002% *  0.0571% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  23.28 +/- 1.54   0.001% *  0.0387% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 680 (0.38, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 6.23, residual support = 231.1:
          HG2   LYS+ 112 - HN    LYS+ 112   3.77 +/- 0.41  99.730% * 98.1747% (0.34   6.23 231.10) =  99.998%  kept
          QB    ALA   47 - HN    LYS+ 112  12.31 +/- 1.63   0.178% *  0.7402% (0.80   0.02   0.02) =   0.001%
          QG1   VAL   42 - HN    LYS+ 112  13.87 +/- 0.98   0.053% *  0.6350% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    LYS+ 112  14.97 +/- 1.46   0.039% *  0.4500% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 681 (0.80, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.74, residual support = 7.36:
          QD1   ILE   56 - HN    LYS+ 112   5.22 +/- 2.12  96.918% * 96.8845% (0.76   1.74   7.36) =  99.977%  kept
          QD2   LEU  123 - HN    LYS+ 112  13.98 +/- 1.44   2.220% *  0.4980% (0.34   0.02   0.02) =   0.012%
          HG3   LYS+ 121 - HN    LYS+ 112  15.74 +/- 0.70   0.648% *  1.4089% (0.97   0.02   0.02) =   0.010%
          QD2   LEU   73 - HN    LYS+ 112  18.86 +/- 1.24   0.179% *  0.7106% (0.49   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LYS+ 112  25.88 +/- 1.67   0.034% *  0.4980% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 7 structures by 1.44 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.94, residual support = 231.1:
          HG3   LYS+ 112 - HN    LYS+ 112   3.26 +/- 0.34  99.798% * 99.2177% (0.87   5.94 231.10) = 100.000%  kept
          HG    LEU   63 - HN    LYS+ 112  13.63 +/- 2.07   0.040% *  0.3775% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  108 - HN    LYS+ 112   9.75 +/- 0.54   0.161% *  0.0594% (0.15   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LYS+ 112  22.53 +/- 1.84   0.001% *  0.3454% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.08 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.06, residual support = 14.6:
      O   HA    LYS+ 112 - HN    ASP- 113   3.55 +/- 0.04  99.967% * 99.8622% (0.74  10.0   5.06  14.62) = 100.000%  kept
          HB2   HIS  122 - HN    ASP- 113  16.34 +/- 1.05   0.012% *  0.0698% (0.52   1.0   0.02   0.02) =   0.000%
          HB    THR   46 - HN    ASP- 113  17.01 +/- 2.34   0.021% *  0.0393% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    ASP- 113  29.93 +/- 2.03   0.000% *  0.0287% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 3.3, residual support = 13.9:
      O   QB    ASP- 113 - HN    ASP- 113   2.13 +/- 0.16 100.000% *100.0000% (0.82  10.0   3.30  13.91) = 100.000%  kept
    Distance limit 3.08 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 = 2.73, residual support = 21.1:
          QG    GLU- 114 - HN    ASP- 113   4.47 +/- 0.46  98.862% * 93.2554% (0.26   2.73  21.08) =  99.985%  kept
          HG2   PRO   52 - HN    ASP- 113  13.47 +/- 2.47   0.412% *  1.6910% (0.65   0.02   0.02) =   0.008%
          HB2   PRO   58 - HN    ASP- 113  12.47 +/- 2.40   0.542% *  1.0770% (0.41   0.02   0.02) =   0.006%
          HG2   MET   92 - HN    ASP- 113  14.76 +/- 2.53   0.179% *  0.5517% (0.21   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    ASP- 113  25.75 +/- 2.10   0.004% *  0.8305% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ASP- 113  33.51 +/- 1.46   0.001% *  2.0426% (0.79   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP- 113  33.93 +/- 1.61   0.001% *  0.5517% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.11 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.798, support = 2.23, residual support = 6.13:
          HB2   LYS+ 111 - HN    ASP- 113   3.35 +/- 0.47  84.309% * 53.3755% (0.85   2.08   3.89) =  86.963%  kept
          QB    GLU- 114 - HN    ASP- 113   4.61 +/- 0.24  15.473% * 43.5987% (0.45   3.22  21.08) =  13.037%  kept
          HB    ILE  119 - HN    ASP- 113   9.51 +/- 0.53   0.209% *  0.1283% (0.21   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ASP- 113  22.14 +/- 3.37   0.002% *  0.4614% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP- 113  22.56 +/- 1.76   0.001% *  0.5043% (0.84   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP- 113  21.29 +/- 3.74   0.003% *  0.1931% (0.32   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP- 113  23.82 +/- 1.76   0.001% *  0.5043% (0.84   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP- 113  24.32 +/- 1.40   0.001% *  0.2306% (0.38   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP- 113  26.37 +/- 1.72   0.000% *  0.2707% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP- 113  31.56 +/- 1.55   0.000% *  0.4462% (0.74   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP- 113  26.24 +/- 1.41   0.000% *  0.1283% (0.21   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP- 113  28.39 +/- 1.32   0.000% *  0.1588% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.39, 8.43, 117.70 ppm):
    13 chemical-shift based assignments, quality = 0.651, support = 4.96, residual support = 14.6:
          HB2   LYS+ 112 - HN    ASP- 113   3.40 +/- 0.22  99.401% * 95.9667% (0.65   4.96  14.62) =  99.999%  kept
          HB3   PRO   93 - HN    ASP- 113  12.09 +/- 2.48   0.526% *  0.0782% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP- 113  13.49 +/- 2.04   0.045% *  0.1901% (0.32   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP- 113  15.37 +/- 0.92   0.013% *  0.3277% (0.55   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ASP- 113  18.74 +/- 1.21   0.004% *  0.4677% (0.79   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ASP- 113  19.23 +/- 1.60   0.003% *  0.4677% (0.79   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP- 113  19.64 +/- 0.95   0.003% *  0.3480% (0.59   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ASP- 113  22.11 +/- 1.47   0.002% *  0.4395% (0.74   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP- 113  22.05 +/- 1.49   0.002% *  0.2083% (0.35   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP- 113  25.49 +/- 1.32   0.001% *  0.4232% (0.71   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ASP- 113  28.72 +/- 2.39   0.000% *  0.4677% (0.79   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ASP- 113  29.67 +/- 1.48   0.000% *  0.4889% (0.82   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP- 113  24.47 +/- 1.85   0.001% *  0.1263% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.06 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.737, support = 4.62, residual support = 14.6:
          HB3   LYS+ 112 - HN    ASP- 113   3.53 +/- 0.31  84.248% * 58.8417% (0.76   4.53  14.62) =  92.006%  kept
          HD2   LYS+ 112 - HN    ASP- 113   5.84 +/- 0.93  10.614% * 40.5542% (0.41   5.75  14.62) =   7.989%  kept
          QG2   VAL  107 - HN    ASP- 113   6.10 +/- 0.69   5.021% *  0.0574% (0.17   0.02   0.02) =   0.005%
          QG2   THR   94 - HN    ASP- 113  10.94 +/- 1.04   0.113% *  0.2515% (0.74   0.02   0.02) =   0.001%
          HG13  ILE  103 - HN    ASP- 113  19.09 +/- 1.09   0.004% *  0.1759% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    ASP- 113  23.38 +/- 1.47   0.001% *  0.1192% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 689 (4.37, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.3, residual support = 21.1:
      O   HA    ASP- 113 - HN    GLU- 114   3.60 +/- 0.05  99.390% * 99.6702% (1.00  10.0   3.30  21.08) = 100.000%  kept
          HA    ILE   56 - HN    GLU- 114   9.61 +/- 1.42   0.382% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 114  10.83 +/- 1.65   0.208% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 114  15.91 +/- 0.65   0.014% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU- 114  21.22 +/- 1.48   0.003% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  20.31 +/- 1.41   0.003% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  28.23 +/- 1.57   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 3.3, residual support = 21.1:
          QB    ASP- 113 - HN    GLU- 114   2.65 +/- 0.29  99.992% * 99.8604% (0.97   3.30  21.08) = 100.000%  kept
          HB2   ASP-  62 - HN    GLU- 114  13.53 +/- 1.86   0.008% *  0.1396% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 4.33, residual support = 43.8:
          QG    GLU- 114 - HN    GLU- 114   2.52 +/- 0.44  99.987% * 97.6921% (0.84   4.33  43.78) = 100.000%  kept
          HG2   PRO   52 - HN    GLU- 114  13.87 +/- 2.11   0.006% *  0.5294% (0.98   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU- 114  14.41 +/- 2.53   0.006% *  0.4128% (0.76   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU- 114  25.12 +/- 1.61   0.000% *  0.4844% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    GLU- 114  32.36 +/- 1.66   0.000% *  0.4128% (0.76   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU- 114  32.42 +/- 1.18   0.000% *  0.4685% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.839, support = 3.63, residual support = 41.4:
      O   QB    GLU- 114 - HN    GLU- 114   2.29 +/- 0.21  65.265% * 89.8075% (0.84  10.0   3.72  43.78) =  94.599%  kept
          HB2   LYS+ 111 - HN    GLU- 114   3.03 +/- 1.15  34.734% *  9.6336% (0.90   1.0   2.00   0.11) =   5.401%  kept
          HG2   PRO   68 - HN    GLU- 114  20.36 +/- 3.76   0.000% *  0.0739% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  21.23 +/- 3.52   0.000% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  22.33 +/- 1.49   0.000% *  0.1017% (0.95   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  23.26 +/- 1.54   0.000% *  0.1017% (0.95   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  23.55 +/- 1.26   0.000% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  30.50 +/- 1.31   0.000% *  0.1075% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  25.12 +/- 1.52   0.000% *  0.0268% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 693 (1.52, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.92, support = 0.0199, residual support = 0.108:
          HB3   LYS+ 111 - HN    GLU- 114   3.67 +/- 0.69  99.400% * 15.6743% (0.92   0.02   0.11) =  99.624%  kept
          HD2   LYS+ 121 - HN    GLU- 114  11.04 +/- 1.82   0.402% *  6.9806% (0.41   0.02   0.02) =   0.180%
          HB3   LYS+ 121 - HN    GLU- 114  11.96 +/- 0.80   0.137% * 16.6435% (0.98   0.02   0.02) =   0.146%
          QD    LYS+  66 - HN    GLU- 114  15.60 +/- 2.25   0.027% * 13.5963% (0.80   0.02   0.02) =   0.023%
          HG    LEU  104 - HN    GLU- 114  18.11 +/- 1.38   0.012% * 16.6435% (0.98   0.02   0.02) =   0.012%
          HD3   LYS+  74 - HN    GLU- 114  19.21 +/- 1.52   0.011% * 15.2279% (0.90   0.02   0.02) =   0.011%
          HG2   LYS+  65 - HN    GLU- 114  19.11 +/- 1.49   0.007% *  5.7919% (0.34   0.02   0.02) =   0.003%
          QG2   THR   26 - HN    GLU- 114  22.50 +/- 1.08   0.003% *  4.7210% (0.28   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HN    GLU- 114  28.36 +/- 2.11   0.001% *  4.7210% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.16 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 694 (1.14, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.511, support = 1.41, residual support = 5.14:
          QG2   VAL  107 - HN    GLU- 114   4.59 +/- 0.50  82.925% * 75.5366% (0.53   1.43   5.37) =  95.849%  kept
          HD3   LYS+ 112 - HN    GLU- 114   6.85 +/- 1.20  15.110% * 17.7624% (0.15   1.14   0.02) =   4.107%  kept
          HG13  ILE  119 - HN    GLU- 114   9.60 +/- 1.19   1.606% *  1.4615% (0.73   0.02   0.02) =   0.036%
          HG2   LYS+ 121 - HN    GLU- 114  12.31 +/- 1.14   0.306% *  1.5382% (0.76   0.02   0.02) =   0.007%
          QB    ALA   20 - HN    GLU- 114  20.38 +/- 1.53   0.015% *  2.0082% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    GLU- 114  16.95 +/- 1.21   0.034% *  0.3105% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    GLU- 114  26.04 +/- 1.66   0.003% *  1.3825% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.07 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   2.99 +/- 0.33  99.952% * 99.4046% (0.57  10.0   3.86  14.94) = 100.000%  kept
          HA    GLN   30 - HN    GLY  101  12.84 +/- 2.05   0.040% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLY  101  15.99 +/- 1.89   0.007% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLY  101  24.68 +/- 1.60   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  25.62 +/- 1.41   0.000% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  28.61 +/- 1.63   0.000% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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   2.90 +/- 0.07  99.989% * 99.9154% (0.53  10.0   2.86  15.44) = 100.000%  kept
          HB2   TRP   27 - HN    GLY  101  14.16 +/- 1.81   0.010% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    GLY  101  23.31 +/- 0.62   0.000% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 75.8:
      O   HA    GLU- 100 - HN    GLU- 100   2.23 +/- 0.07  99.994% * 99.4046% (0.57  10.0   6.39  75.76) = 100.000%  kept
          HA    GLN   30 - HN    GLU- 100  12.20 +/- 1.74   0.005% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLU- 100  17.88 +/- 1.45   0.000% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  24.87 +/- 1.39   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  25.15 +/- 1.43   0.000% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  29.21 +/- 1.32   0.000% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 4.32, residual support = 75.8:
          HG3   GLU- 100 - HN    GLU- 100   2.67 +/- 0.55  99.875% * 97.4478% (0.69   4.32  75.76) =  99.999%  kept
          QB    GLN   32 - HN    GLU- 100  11.10 +/- 1.39   0.109% *  0.6443% (0.98   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    GLU- 100  15.78 +/- 1.44   0.005% *  0.6443% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU- 100  18.24 +/- 1.64   0.003% *  0.6218% (0.95   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    GLU- 100  21.49 +/- 3.33   0.005% *  0.1463% (0.22   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLU- 100  25.62 +/- 4.59   0.004% *  0.1301% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU- 100  25.12 +/- 1.66   0.000% *  0.1828% (0.28   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU- 100  27.85 +/- 1.60   0.000% *  0.1828% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 39.9:
          HB2   LYS+  99 - HN    GLU- 100   4.42 +/- 0.07  99.720% * 99.1244% (0.73   5.60  39.92) =  99.999%  kept
          HB    VAL   43 - HN    GLU- 100  12.12 +/- 0.92   0.263% *  0.4069% (0.84   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    GLU- 100  23.75 +/- 1.49   0.004% *  0.3723% (0.76   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    GLU- 100  19.95 +/- 1.26   0.013% *  0.0964% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.04 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 6.37, residual support = 39.9:
          HG2   LYS+  99 - HN    GLU- 100   3.30 +/- 0.26  97.918% * 98.3896% (0.90   6.37  39.92) =  99.993%  kept
          HG2   LYS+  38 - HN    GLU- 100   7.01 +/- 1.04   1.770% *  0.3326% (0.97   0.02   0.02) =   0.006%
          HB2   LEU   31 - HN    GLU- 100   9.72 +/- 1.50   0.283% *  0.1951% (0.57   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    GLU- 100  18.28 +/- 2.01   0.005% *  0.3260% (0.95   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    GLU- 100  17.73 +/- 1.22   0.005% *  0.2090% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLU- 100  17.04 +/- 1.67   0.008% *  0.1064% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLU- 100  16.69 +/- 1.04   0.007% *  0.0767% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLU- 100  18.97 +/- 1.39   0.003% *  0.1417% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLU- 100  25.61 +/- 2.65   0.001% *  0.2229% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 702 (1.77, 8.33, 118.17 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.79, residual support = 173.0:
      O   HB2   LYS+  99 - HN    LYS+  99   2.97 +/- 0.20  99.842% * 99.7262% (0.99  10.0   4.79 173.01) = 100.000%  kept
          HB    VAL   43 - HN    LYS+  99  10.40 +/- 1.04   0.088% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  10.71 +/- 0.78   0.056% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    LYS+  99  22.32 +/- 1.58   0.001% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+  99  21.55 +/- 1.21   0.001% *  0.0570% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  16.04 +/- 1.30   0.006% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  16.97 +/- 0.73   0.003% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  16.51 +/- 1.11   0.004% *  0.0037% (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 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.566, support = 3.87, residual support = 17.6:
          QB    LEU   98 - HN    LYS+  99   2.88 +/- 0.23  98.542% * 93.6025% (0.57   3.87  17.63) =  99.999%  kept
          HD3   LYS+ 121 - HN    LYS+  99  14.22 +/- 4.37   0.036% *  0.7406% (0.87   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN   30   6.97 +/- 1.10   1.114% *  0.0087% (0.01   0.02   7.37) =   0.000%
          HG    LEU   73 - HN    LYS+  99  11.77 +/- 0.86   0.026% *  0.1317% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  99  14.72 +/- 2.40   0.008% *  0.3828% (0.45   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    GLN   30  10.91 +/- 1.53   0.049% *  0.0503% (0.06   0.02   1.05) =   0.000%
          HB3   LYS+  74 - HN    GLN   30  10.86 +/- 1.20   0.052% *  0.0469% (0.05   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLN   30  10.63 +/- 0.85   0.044% *  0.0449% (0.05   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    GLN   30  10.36 +/- 1.03   0.058% *  0.0318% (0.04   0.02   0.39) =   0.000%
          HG12  ILE   19 - HN    LYS+  99  18.16 +/- 2.39   0.002% *  0.7657% (0.90   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  99  17.67 +/- 1.99   0.002% *  0.6836% (0.80   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  99  18.27 +/- 1.65   0.002% *  0.7131% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+  99  18.25 +/- 1.54   0.002% *  0.8239% (0.97   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLN   30  11.58 +/- 0.82   0.026% *  0.0541% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+  99  17.54 +/- 2.08   0.006% *  0.2374% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+  99  18.22 +/- 0.86   0.002% *  0.7131% (0.84   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  99  17.53 +/- 0.77   0.002% *  0.5178% (0.61   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    GLN   30  14.19 +/- 2.86   0.017% *  0.0173% (0.02   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  99  21.49 +/- 2.49   0.001% *  0.2635% (0.31   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    GLN   30  16.07 +/- 0.78   0.004% *  0.0340% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  16.93 +/- 1.53   0.003% *  0.0251% (0.03   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  21.98 +/- 2.19   0.001% *  0.0469% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLN   30  24.08 +/- 3.03   0.000% *  0.0487% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  20.19 +/- 1.38   0.001% *  0.0156% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.759, support = 3.31, residual support = 17.0:
          QD2   LEU  104 - HN    LYS+  99   3.39 +/- 1.06  66.340% * 46.4154% (0.80   2.96  16.68) =  63.656%  kept
          QD1   LEU   98 - HN    LYS+  99   4.17 +/- 0.80  33.137% * 53.0540% (0.69   3.94  17.63) =  36.344%  kept
          QD1   ILE   19 - HN    GLN   30   9.19 +/- 1.06   0.285% *  0.0167% (0.04   0.02   1.05) =   0.000%
          QD1   LEU   98 - HN    GLN   30  10.12 +/- 1.07   0.148% *  0.0177% (0.05   0.02   0.39) =   0.000%
          QD1   ILE   19 - HN    LYS+  99  15.74 +/- 1.20   0.009% *  0.2536% (0.65   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LYS+  99  16.99 +/- 1.10   0.005% *  0.1210% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LYS+  99  15.65 +/- 0.84   0.007% *  0.0873% (0.22   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    GLN   30  12.07 +/- 1.14   0.039% *  0.0057% (0.01   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    GLN   30  15.11 +/- 1.30   0.009% *  0.0206% (0.05   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  13.37 +/- 0.88   0.022% *  0.0079% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 706 (0.59, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.852, support = 3.97, residual support = 16.5:
          QD1   LEU  104 - HN    LYS+  99   3.89 +/- 0.51  65.683% * 93.6368% (0.87   4.00  16.68) =  98.066%  kept
          QD1   LEU   73 - HN    GLN   30   4.60 +/- 0.89  31.630% *  3.8249% (0.06   2.49   7.37) =   1.929%  kept
          QD1   LEU   73 - HN    LYS+  99   9.41 +/- 0.95   0.385% *  0.4682% (0.87   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    GLN   30   7.83 +/- 0.77   1.204% *  0.0351% (0.07   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    LYS+  99  12.53 +/- 1.70   0.077% *  0.4682% (0.87   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LYS+  99  14.15 +/- 1.19   0.032% *  0.5350% (0.99   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LYS+  99  12.21 +/- 1.99   0.106% *  0.1501% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  99  15.02 +/- 2.28   0.027% *  0.5385% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LYS+  99  12.92 +/- 1.27   0.053% *  0.2219% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    GLN   30   8.66 +/- 0.96   0.735% *  0.0146% (0.03   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN   30  14.93 +/- 1.22   0.021% *  0.0308% (0.06   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    GLN   30  15.52 +/- 2.17   0.021% *  0.0308% (0.06   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    GLN   30  19.12 +/- 2.11   0.005% *  0.0354% (0.07   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    GLN   30  15.62 +/- 2.31   0.019% *  0.0099% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 4.05, residual support = 10.9:
          HB3   PHE   97 - HN    LEU   98   3.97 +/- 0.53  99.069% * 97.5558% (0.65   4.05  10.93) =  99.994%  kept
          HB2   GLU- 100 - HN    LEU   98   9.18 +/- 0.40   0.815% *  0.6680% (0.90   0.02   0.02) =   0.006%
          QG    GLN   32 - HN    LEU   98  13.82 +/- 0.76   0.068% *  0.3919% (0.53   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    LEU   98  17.67 +/- 1.77   0.019% *  0.5964% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    LEU   98  17.88 +/- 0.78   0.015% *  0.6221% (0.84   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   98  19.23 +/- 1.48   0.013% *  0.1658% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.03 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.651, support = 5.37, residual support = 31.6:
          HB    VAL   41 - HN    LEU   98   3.35 +/- 0.65  89.583% * 68.7961% (0.65   5.47  31.76) =  97.266%  kept
          HG12  ILE  103 - HN    LEU   98   5.91 +/- 0.72   5.950% * 28.9889% (0.80   1.86  24.20) =   2.722%  kept
          HB3   ASP- 105 - HN    LEU   98   7.10 +/- 1.06   2.030% *  0.1743% (0.45   0.02   4.90) =   0.006%
          HB    ILE  103 - HN    LEU   98   7.35 +/- 0.31   1.213% *  0.2045% (0.53   0.02  24.20) =   0.004%
          QB    LYS+ 106 - HN    LEU   98   7.74 +/- 0.78   1.033% *  0.0769% (0.20   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    LEU   98  16.14 +/- 4.07   0.032% *  0.3810% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   98  11.61 +/- 0.69   0.068% *  0.1326% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LEU   98  13.41 +/- 1.51   0.048% *  0.1743% (0.45   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   98  14.27 +/- 2.11   0.025% *  0.2201% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   98  21.20 +/- 1.12   0.002% *  0.3810% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   98  17.33 +/- 0.72   0.006% *  0.0865% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU   98  18.94 +/- 1.03   0.004% *  0.0865% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   98  20.23 +/- 1.43   0.003% *  0.1081% (0.28   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   98  22.68 +/- 1.32   0.001% *  0.1892% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.835, support = 4.97, residual support = 80.6:
      O   QB    LEU   98 - HN    LEU   98   2.78 +/- 0.23  97.992% * 99.2383% (0.84  10.0   4.97  80.55) =  99.999%  kept
          HB    VAL   42 - HN    LEU   98   5.59 +/- 0.48   1.875% *  0.0208% (0.18   1.0   0.02   0.62) =   0.000%
          HD3   LYS+ 121 - HN    LEU   98  12.71 +/- 3.88   0.053% *  0.1185% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   98  11.92 +/- 2.16   0.031% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   98  14.40 +/- 0.70   0.006% *  0.1178% (0.99   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   98  14.76 +/- 2.26   0.007% *  0.0769% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   98  15.55 +/- 1.21   0.005% *  0.1165% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   98  15.09 +/- 1.54   0.006% *  0.0625% (0.53   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   98  14.02 +/- 0.78   0.008% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  12.93 +/- 0.80   0.011% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   98  15.68 +/- 1.65   0.004% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  19.63 +/- 2.14   0.001% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  18.03 +/- 1.20   0.002% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (0.99, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 4.74, residual support = 10.3:
          QD2   LEU   40 - HN    LEU   98   2.71 +/- 0.57  96.978% * 98.3735% (0.97   4.74  10.26) =  99.991%  kept
          QG2   ILE  103 - HN    LEU   98   5.72 +/- 0.42   1.694% *  0.3733% (0.87   0.02  24.20) =   0.007%
          QD1   LEU   67 - HN    LEU   98   9.92 +/- 2.35   0.208% *  0.4071% (0.95   0.02   0.02) =   0.001%
          QD1   ILE  103 - HN    LEU   98   6.33 +/- 0.60   0.911% *  0.0852% (0.20   0.02  24.20) =   0.001%
          QD2   LEU   71 - HN    LEU   98   8.78 +/- 0.52   0.171% *  0.1196% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU   98  11.60 +/- 0.87   0.032% *  0.3125% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   98  15.52 +/- 0.86   0.006% *  0.3289% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.36, support = 4.47, residual support = 72.5:
          QD1   LEU   98 - HN    LEU   98   3.42 +/- 0.95  56.504% * 61.0040% (0.38   4.83  80.55) =  86.088%  kept
          QG1   VAL   41 - HN    LEU   98   4.24 +/- 0.65  25.510% * 15.1260% (0.15   2.91  31.76) =   9.637%  kept
          QG1   VAL   43 - HN    LEU   98   5.03 +/- 1.16  14.055% *  8.2755% (0.28   0.88   0.02) =   2.905%  kept
          QD2   LEU  104 - HN    LEU   98   5.67 +/- 0.77   3.852% * 14.2373% (0.99   0.43   7.72) =   1.370%  kept
          QD1   ILE   19 - HN    LEU   98  12.95 +/- 1.14   0.021% *  0.6213% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LEU   98  12.21 +/- 0.83   0.040% *  0.3276% (0.49   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   98  13.68 +/- 0.99   0.018% *  0.4082% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 0.222, support = 4.55, residual support = 53.4:
          QG2   VAL   41 - HN    LEU   98   4.09 +/- 0.74  33.617% * 55.2162% (0.28   4.65  31.76) =  51.232%  kept
          QD2   LEU   98 - HN    LEU   98   3.62 +/- 0.80  53.887% * 30.8057% (0.15   4.68  80.55) =  45.816%  kept
          QD1   LEU  104 - HN    LEU   98   5.25 +/- 0.83   9.841% * 10.6706% (0.31   0.81   7.72) =   2.898%  kept
          QD1   LEU   73 - HN    LEU   98   6.97 +/- 0.87   1.333% *  0.7654% (0.90   0.02   0.02) =   0.028%
          QD2   LEU   63 - HN    LEU   98   9.24 +/- 2.12   0.751% *  0.7129% (0.84   0.02   0.02) =   0.015%
          QD1   LEU   63 - HN    LEU   98   9.30 +/- 1.86   0.433% *  0.7654% (0.90   0.02   0.02) =   0.009%
          QD2   LEU  115 - HN    LEU   98  12.06 +/- 2.39   0.058% *  0.4832% (0.57   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   98  11.96 +/- 1.04   0.049% *  0.4490% (0.53   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    LEU   98  13.31 +/- 1.25   0.031% *  0.1317% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 4.83, residual support = 62.6:
      O   HB2   PHE   97 - HN    PHE   97   2.81 +/- 0.48  96.626% * 99.6886% (0.95  10.0   4.83  62.56) =  99.998%  kept
          QE    LYS+ 106 - HN    PHE   97   5.71 +/- 1.03   3.083% *  0.0554% (0.53   1.0   0.02   8.72) =   0.002%
          QE    LYS+  99 - HN    PHE   97   9.17 +/- 0.83   0.122% *  0.0639% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    PHE   97   9.87 +/- 0.76   0.103% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    PHE   97  11.67 +/- 1.63   0.046% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   97  13.16 +/- 0.73   0.015% *  0.1017% (0.97   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    PHE   97  16.28 +/- 0.91   0.004% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 714 (2.63, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.6, residual support = 45.4:
          HG2   MET   96 - HN    PHE   97   3.66 +/- 0.51  99.957% * 99.4690% (0.73   5.60  45.41) = 100.000%  kept
          HB2   PRO   52 - HN    PHE   97  17.42 +/- 1.97   0.015% *  0.4090% (0.84   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HN    PHE   97  16.08 +/- 1.77   0.028% *  0.1221% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.73 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 = 5.18, residual support = 62.6:
      O   HB3   PHE   97 - HN    PHE   97   2.96 +/- 0.64  98.853% * 99.0693% (0.34  10.0   5.18  62.56) =  99.999%  kept
          HB    VAL  107 - HN    PHE   97   7.24 +/- 0.90   1.096% *  0.0808% (0.28   1.0   0.02   2.36) =   0.001%
          HB2   GLU- 100 - HN    PHE   97  12.53 +/- 0.66   0.031% *  0.1762% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    PHE   97  15.19 +/- 1.54   0.010% *  0.1414% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   97  17.03 +/- 0.88   0.006% *  0.2426% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   97  17.80 +/- 0.79   0.004% *  0.2898% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 0.55, support = 5.12, residual support = 50.1:
          HB2   MET   96 - HN    PHE   97   3.93 +/- 0.15  75.757% * 35.2422% (0.31   6.07  45.41) =  63.990%  kept
          HB2   ASP- 105 - HN    PHE   97   5.10 +/- 0.98  23.732% * 63.3057% (0.98   3.44  58.42) =  36.008%  kept
          HG12  ILE  119 - HN    PHE   97  10.83 +/- 2.81   0.381% *  0.1546% (0.41   0.02   0.78) =   0.001%
          HG2   GLU- 100 - HN    PHE   97  13.25 +/- 0.73   0.054% *  0.2873% (0.76   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   97  15.65 +/- 1.21   0.024% *  0.3372% (0.90   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    PHE   97  17.57 +/- 0.87   0.011% *  0.3140% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   97  18.41 +/- 0.72   0.008% *  0.3010% (0.80   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   97  15.03 +/- 1.64   0.033% *  0.0580% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 45.4:
          HB3   MET   96 - HN    PHE   97   4.49 +/- 0.14  99.574% * 91.3872% (0.15   6.07  45.41) =  99.994%  kept
          HB3   GLN   30 - HN    PHE   97  13.75 +/- 1.06   0.141% *  1.4160% (0.73   0.02   0.02) =   0.002%
          HB2   MET   92 - HN    PHE   97  14.62 +/- 0.70   0.090% *  1.6915% (0.87   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    PHE   97  14.61 +/- 1.46   0.105% *  0.7319% (0.38   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    PHE   97  15.74 +/- 0.65   0.057% *  1.0260% (0.53   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    PHE   97  18.59 +/- 1.42   0.022% *  1.9114% (0.98   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   97  22.20 +/- 2.00   0.009% *  0.7319% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   97  29.09 +/- 3.15   0.002% *  1.1040% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.21 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.625, support = 1.24, residual support = 1.28:
          QG2   ILE  103 - HN    PHE   97   3.65 +/- 0.56  88.135% * 46.5655% (0.61   1.26   1.25) =  88.323%  kept
          QD2   LEU   40 - HN    PHE   97   5.48 +/- 0.61  10.729% * 50.5015% (0.76   1.09   1.45) =  11.661%  kept
          QD1   LEU   67 - HN    PHE   97  11.23 +/- 2.66   0.468% *  0.8844% (0.73   0.02   0.02) =   0.009%
          HB    VAL   75 - HN    PHE   97  11.07 +/- 0.96   0.141% *  1.1521% (0.95   0.02   0.02) =   0.003%
          QD1   ILE  119 - HN    PHE   97  10.38 +/- 2.31   0.505% *  0.3037% (0.25   0.02   0.78) =   0.003%
          HG3   LYS+  74 - HN    PHE   97  15.51 +/- 0.76   0.022% *  0.5928% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.03 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   3.81 +/- 0.24  99.160% * 95.7141% (0.24   4.00  11.99) =  99.991%  kept
          HB3   TRP   87 - HN    MET   96   9.09 +/- 1.23   0.763% *  1.0876% (0.54   0.02   0.02) =   0.009%
          HG3   GLN  116 - HN    MET   96  15.46 +/- 1.51   0.026% *  0.9351% (0.46   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    MET   96  14.26 +/- 1.48   0.043% *  0.3802% (0.19   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    MET   96  18.78 +/- 0.84   0.008% *  1.8830% (0.93   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 4.05, residual support = 115.5:
      O   HB2   MET   96 - HN    MET   96   2.89 +/- 0.25  98.599% * 99.6054% (0.94  10.0   4.05 115.52) =  99.999%  kept
          HB2   ASP- 105 - HN    MET   96   7.98 +/- 1.17   1.304% *  0.0448% (0.42   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - HN    MET   96  11.11 +/- 1.09   0.058% *  0.0725% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    MET   96  13.64 +/- 0.99   0.009% *  0.0686% (0.65   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    MET   96  14.93 +/- 0.87   0.006% *  0.0646% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    MET   96  15.99 +/- 0.82   0.004% *  0.0763% (0.72   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  12.72 +/- 1.11   0.017% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  17.67 +/- 0.85   0.002% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 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   2.48 +/- 0.20  99.963% * 99.5022% (0.57  10.0   3.97 115.52) = 100.000%  kept
          HB2   LEU   40 - HN    MET   96  11.41 +/- 0.92   0.012% *  0.1552% (0.89   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    MET   96  11.11 +/- 1.27   0.016% *  0.0863% (0.50   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    MET   96  13.25 +/- 2.11   0.007% *  0.0456% (0.26   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    MET   96  16.86 +/- 1.07   0.001% *  0.1314% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   96  19.97 +/- 1.65   0.000% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  27.43 +/- 3.06   0.000% *  0.0287% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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   3.81 +/- 0.45  98.936% * 76.2797% (0.19   1.50  16.41) =  99.955%  kept
          HB2   LEU   71 - HN    MET   96  10.07 +/- 0.81   0.378% *  4.4580% (0.82   0.02   0.02) =   0.022%
          HG2   PRO   93 - HN    MET   96  10.81 +/- 0.53   0.247% *  2.5016% (0.46   0.02   0.02) =   0.008%
          QB    LYS+ 102 - HN    MET   96  11.85 +/- 0.45   0.137% *  3.7319% (0.69   0.02   0.17) =   0.007%
          QB    LYS+  65 - HN    MET   96  14.35 +/- 0.89   0.046% *  4.2927% (0.79   0.02   0.02) =   0.003%
          HB2   LYS+  99 - HN    MET   96  12.00 +/- 0.60   0.132% *  1.4289% (0.26   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    MET   96  13.29 +/- 1.23   0.078% *  1.2815% (0.24   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    MET   96  16.40 +/- 0.97   0.020% *  4.7442% (0.87   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    MET   96  15.91 +/- 1.47   0.026% *  1.2815% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.12 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.848, support = 1.59, residual support = 2.49:
          QG2   THR   94 - HN    MET   96   4.10 +/- 0.27  98.707% * 95.5900% (0.85   1.59   2.49) =  99.992%  kept
          HB3   LEU   71 - HN    MET   96  11.15 +/- 0.97   0.294% *  1.2664% (0.89   0.02   0.02) =   0.004%
          HG12  ILE   89 - HN    MET   96   9.75 +/- 1.37   0.815% *  0.2980% (0.21   0.02   5.10) =   0.003%
          HD2   LYS+ 112 - HN    MET   96  15.62 +/- 2.38   0.075% *  1.3122% (0.93   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HN    MET   96  15.32 +/- 1.21   0.045% *  1.1612% (0.82   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    MET   96  15.09 +/- 1.92   0.065% *  0.3722% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.757, support = 2.96, residual support = 16.4:
          QG1   VAL   43 - HN    MET   96   3.79 +/- 0.60  96.832% * 96.6032% (0.76   2.96  16.41) =  99.977%  kept
          QG2   THR   46 - HN    MET   96   8.94 +/- 0.98   1.080% *  0.8141% (0.94   0.02   0.02) =   0.009%
          QG1   VAL   41 - HN    MET   96   8.62 +/- 0.66   0.969% *  0.4949% (0.57   0.02   0.02) =   0.005%
          QG2   VAL   18 - HN    MET   96   9.70 +/- 0.80   0.594% *  0.7874% (0.91   0.02   0.02) =   0.005%
          QD2   LEU  104 - HN    MET   96   9.94 +/- 0.47   0.418% *  0.5925% (0.69   0.02   0.02) =   0.003%
          QD1   ILE   19 - HN    MET   96  12.57 +/- 0.99   0.107% *  0.7078% (0.82   0.02   0.02) =   0.001%
    Distance limit 4.60 A violated in 0 structures by 0.06 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.749, support = 0.812, residual support = 0.414:
          QD1   LEU   63 - HN    MET   96   7.35 +/- 1.96  18.580% * 38.7026% (0.85   0.79   0.47) =  57.481%  kept
          QD2   LEU  115 - HN    MET   96   8.81 +/- 2.26  10.205% * 32.2427% (0.54   1.04   0.28) =  26.303%  kept
          QD2   LEU   63 - HN    MET   96   8.50 +/- 2.12   6.858% * 26.5191% (0.79   0.58   0.47) =  14.537%  kept
          QD1   LEU   73 - HN    MET   96   7.64 +/- 0.96   8.315% *  0.9809% (0.85   0.02   0.02) =   0.652%  kept
          QD2   LEU   98 - HN    MET   96   6.12 +/- 0.94  35.001% *  0.1688% (0.15   0.02   0.34) =   0.472%
          QG2   VAL   41 - HN    MET   96   7.17 +/- 0.97  15.003% *  0.3041% (0.26   0.02   0.02) =   0.365%
          QD2   LEU   80 - HN    MET   96   9.63 +/- 1.05   2.479% *  0.5755% (0.50   0.02   0.02) =   0.114%
          QD1   LEU  104 - HN    MET   96   9.82 +/- 0.86   2.089% *  0.3376% (0.29   0.02   0.02) =   0.056%
          QD1   LEU   80 - HN    MET   96  10.62 +/- 1.36   1.472% *  0.1688% (0.15   0.02   0.02) =   0.020%
    Distance limit 4.54 A violated in 11 structures by 1.16 A, kept.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 1.43, residual support = 4.45:
          QD1   ILE   89 - HN    MET   96   6.84 +/- 1.58  61.042% * 70.5480% (0.72   1.50   5.10) =  85.805%  kept
          QG2   VAL   83 - HN    MET   96   8.20 +/- 1.15  24.243% * 29.2855% (0.46   0.98   0.53) =  14.146%  kept
          QD2   LEU   31 - HN    MET   96   8.99 +/- 0.88  14.715% *  0.1666% (0.13   0.02   0.02) =   0.049%
    Distance limit 4.40 A violated in 14 structures by 1.78 A, kept.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.87, residual support = 73.5:
      O   HB2   PHE   95 - HN    PHE   95   2.55 +/- 0.32 100.000% *100.0000% (0.87  10.0   3.87  73.54) = 100.000%  kept
    Distance limit 3.96 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 = 4.2, residual support = 73.5:
      O   HB3   PHE   95 - HN    PHE   95   3.34 +/- 0.36  99.920% * 99.8580% (0.98  10.0   4.20  73.54) = 100.000%  kept
          HG2   GLN  116 - HN    PHE   95  12.08 +/- 1.41   0.079% *  0.0964% (0.95   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    PHE   95  22.15 +/- 0.94   0.001% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 45.2:
          HB    VAL  107 - HN    PHE   95   3.85 +/- 1.12  94.108% * 98.3856% (0.99   3.24  45.23) =  99.973%  kept
          HB3   PHE   45 - HN    PHE   95   7.33 +/- 0.49   5.256% *  0.4210% (0.69   0.02   1.89) =   0.024%
          QE    LYS+ 112 - HN    PHE   95  10.22 +/- 2.06   0.572% *  0.4210% (0.69   0.02   0.02) =   0.003%
          QG    GLU-  79 - HN    PHE   95  16.46 +/- 0.73   0.049% *  0.2300% (0.38   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   95  20.95 +/- 1.00   0.009% *  0.4210% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   95  22.29 +/- 1.04   0.006% *  0.1213% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 1 structures by 0.21 A, kept.
 
    Peak 730 (1.18, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.853, support = 4.25, residual support = 15.5:
          QG2   THR   94 - HN    PHE   95   2.11 +/- 0.36  91.606% * 79.6803% (0.87   4.25  14.88) =  97.848%  kept
          QG2   VAL  107 - HN    PHE   95   3.82 +/- 1.24   8.323% * 19.2813% (0.20   4.51  45.23) =   2.151%  kept
          HG13  ILE  103 - HN    PHE   95   9.10 +/- 0.86   0.042% *  0.2623% (0.61   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HN    PHE   95  12.45 +/- 2.55   0.018% *  0.2105% (0.49   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HN    PHE   95  11.99 +/- 1.25   0.009% *  0.3878% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    PHE   95  15.06 +/- 0.97   0.001% *  0.1778% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.55 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   2.70 +/- 0.13  99.865% * 98.9931% (0.65  10.0   3.08  25.29) = 100.000%  kept
          HD2   PRO   52 - HN    THR   94   9.46 +/- 0.87   0.067% *  0.0522% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    THR   94  11.21 +/- 0.90   0.022% *  0.1169% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    THR   94  13.30 +/- 0.90   0.007% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR   94  12.75 +/- 0.74   0.010% *  0.0745% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    THR   94  13.07 +/- 1.27   0.011% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    THR   94  12.28 +/- 0.73   0.012% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    THR   94  17.50 +/- 1.27   0.002% *  0.1448% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    THR   94  18.03 +/- 1.20   0.001% *  0.1413% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  18.08 +/- 1.42   0.001% *  0.0866% (0.57   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    THR   94  20.25 +/- 1.13   0.001% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  21.95 +/- 0.91   0.000% *  0.0303% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (3.06, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 27.2:
          HB2   PHE   45 - HN    THR   94   2.22 +/- 0.69  99.963% * 98.8926% (0.95   2.96  27.18) = 100.000%  kept
          QE    LYS+ 111 - HN    THR   94  12.51 +/- 1.86   0.024% *  0.7071% (1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    THR   94  13.76 +/- 1.90   0.013% *  0.4003% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.563, support = 1.5, residual support = 27.0:
          HB3   PHE   45 - HN    THR   94   3.67 +/- 0.64  92.216% * 72.7903% (0.57   1.50  27.18) =  99.170%  kept
          HB    VAL  107 - HN    THR   94   7.67 +/- 1.14   2.454% * 20.9548% (0.20   1.24   0.02) =   0.760%  kept
          QE    LYS+ 112 - HN    THR   94  10.84 +/- 2.65   4.275% *  0.9705% (0.57   0.02   0.02) =   0.061%
          HG3   MET   96 - HN    THR   94   8.72 +/- 0.82   0.953% *  0.4766% (0.28   0.02   2.49) =   0.007%
          HB3   ASP-  86 - HN    THR   94  13.26 +/- 0.88   0.052% *  1.6991% (0.99   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HN    THR   94  14.11 +/- 1.36   0.045% *  1.1775% (0.69   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    THR   94  21.37 +/- 0.97   0.003% *  1.6991% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    THR   94  25.15 +/- 1.50   0.001% *  0.2320% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.04 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   3.98 +/- 0.13  95.571% * 99.5171% (0.98  10.0   4.39  15.60) =  99.997%  kept
          HB    VAL  108 - HN    THR   94   8.23 +/- 1.91   3.238% *  0.0697% (0.69   1.0   0.02   0.02) =   0.002%
          HG3   PRO   52 - HN    THR   94   9.41 +/- 1.33   0.846% *  0.0417% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   94  12.62 +/- 0.89   0.107% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    THR   94  13.04 +/- 1.30   0.100% *  0.0417% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   94  13.69 +/- 1.39   0.080% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    THR   94  16.09 +/- 1.13   0.024% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  16.00 +/- 1.70   0.027% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  22.72 +/- 1.98   0.004% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  22.07 +/- 0.60   0.003% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  30.39 +/- 3.18   0.001% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.34 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 +/- 0.15  86.142% * 94.6720% (0.90  10.0   2.74  15.60) =  99.342%  kept
          HB3   ASP-  44 - HN    THR   94   5.82 +/- 1.15  11.973% *  4.4976% (0.49   1.0   1.75   0.02) =   0.656%  kept
          QB    ALA   84 - HN    THR   94   8.68 +/- 1.03   0.833% *  0.0916% (0.87   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    THR   94  12.96 +/- 2.13   0.234% *  0.0807% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    THR   94  10.79 +/- 0.79   0.191% *  0.0916% (0.87   1.0   0.02   0.72) =   0.000%
          HB3   LEU   73 - HN    THR   94  11.61 +/- 1.28   0.140% *  0.0683% (0.65   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    THR   94  12.38 +/- 1.01   0.079% *  0.0807% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    THR   94  12.09 +/- 0.91   0.094% *  0.0598% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   94  12.02 +/- 1.65   0.128% *  0.0396% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    THR   94  11.54 +/- 1.33   0.149% *  0.0294% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    THR   94  17.75 +/- 1.91   0.011% *  0.0598% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    THR   94  18.94 +/- 1.20   0.006% *  0.0725% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    THR   94  20.07 +/- 1.24   0.004% *  0.0683% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    THR   94  20.87 +/- 1.27   0.003% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  18.11 +/- 0.84   0.008% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  22.77 +/- 2.18   0.002% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 736 (1.21, 8.03, 115.19 ppm):
    7 chemical-shift based assignments, quality = 0.344, support = 3.5, residual support = 25.1:
          QG2   THR   94 - HN    THR   94   3.68 +/- 0.31  97.170% * 65.5974% (0.34   3.52  25.29) =  99.190%  kept
          HG12  ILE   89 - HN    THR   94   7.95 +/- 1.14   1.633% * 31.3155% (0.76   0.75   5.48) =   0.796%  kept
          HD2   LYS+ 112 - HN    THR   94  13.10 +/- 3.24   0.599% *  0.7935% (0.73   0.02   0.02) =   0.007%
          HG3   LYS+ 111 - HN    THR   94  12.53 +/- 2.33   0.414% *  0.9127% (0.84   0.02   0.02) =   0.006%
          HB3   LYS+ 112 - HN    THR   94  13.18 +/- 2.16   0.158% *  0.3373% (0.31   0.02   0.02) =   0.001%
          HB3   LEU   71 - HN    THR   94  16.25 +/- 1.21   0.015% *  0.8750% (0.80   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    THR   94  16.97 +/- 0.96   0.011% *  0.1686% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 5.48:
          QG2   ILE   89 - HN    THR   94   4.83 +/- 0.72  98.680% * 99.1801% (0.90   0.75   5.48) =  99.989%  kept
          QG1   VAL   83 - HN    THR   94  10.47 +/- 1.33   1.320% *  0.8199% (0.28   0.02   0.02) =   0.011%
    Distance limit 4.49 A violated in 4 structures by 0.45 A, kept.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.176, support = 3.86, residual support = 60.6:
          HG3   MET   92 - HN    MET   92   3.98 +/- 0.48  95.398% * 40.3551% (0.14   4.04  64.15) =  94.485%  kept
          QG    GLN   90 - HN    MET   92   7.07 +/- 0.84   4.331% * 51.8002% (0.87   0.81   0.02) =   5.506%  kept
          HB2   ASP-  44 - HN    MET   92  12.22 +/- 1.81   0.216% *  1.4458% (0.98   0.02   0.02) =   0.008%
          HB3   PHE   72 - HN    MET   92  17.83 +/- 1.84   0.018% *  1.3616% (0.92   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    MET   92  16.40 +/- 1.30   0.026% *  0.7760% (0.53   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    MET   92  23.94 +/- 2.60   0.004% *  1.4750% (1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    MET   92  24.62 +/- 2.13   0.003% *  1.4234% (0.97   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    MET   92  23.33 +/- 1.88   0.003% *  0.2919% (0.20   0.02   0.02) =   0.000%
          QB    MET   11 - HN    MET   92  31.46 +/- 2.80   0.001% *  1.0710% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.10 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.998, support = 3.94, residual support = 64.1:
      O   HB2   MET   92 - HN    MET   92   2.52 +/- 0.50  99.061% * 99.5386% (1.00  10.0   3.94  64.15) = 100.000%  kept
          HB3   GLN   90 - HN    MET   92   6.81 +/- 0.78   0.857% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    MET   92  11.76 +/- 1.98   0.022% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    MET   92  11.65 +/- 1.83   0.036% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    MET   92  10.94 +/- 1.19   0.021% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   92  17.85 +/- 1.80   0.002% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   92  20.40 +/- 1.82   0.001% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  29.02 +/- 0.96   0.000% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  23.12 +/- 1.71   0.000% *  0.0135% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  27.25 +/- 2.00   0.000% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  35.08 +/- 3.42   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 4.3, residual support = 64.1:
      O   HB3   MET   92 - HN    MET   92   3.48 +/- 0.31  93.567% * 99.1115% (0.57  10.0   4.30  64.15) =  99.997%  kept
          HB    ILE   89 - HN    MET   92   7.35 +/- 1.48   3.962% *  0.0437% (0.25   1.0   0.02   0.02) =   0.002%
          HG3   PRO   93 - HN    MET   92   6.76 +/- 0.18   1.992% *  0.0346% (0.20   1.0   0.02   1.77) =   0.001%
          QG1   ILE   56 - HN    MET   92  10.53 +/- 1.96   0.272% *  0.1338% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    MET   92  15.05 +/- 2.93   0.127% *  0.0785% (0.45   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    MET   92  12.42 +/- 1.78   0.062% *  0.1570% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    MET   92  16.18 +/- 1.61   0.014% *  0.1271% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    MET   92  21.91 +/- 0.72   0.002% *  0.1616% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    MET   92  22.42 +/- 0.62   0.001% *  0.1132% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    MET   92  24.06 +/- 1.06   0.001% *  0.0390% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 741 (1.25, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 3.55, residual support = 14.2:
          QB    ALA   91 - HN    MET   92   2.75 +/- 0.73  99.522% * 96.7022% (1.00   3.55  14.21) =  99.998%  kept
          QG2   ILE   56 - HN    MET   92   9.10 +/- 1.65   0.412% *  0.3748% (0.69   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HN    MET   92  13.23 +/- 1.87   0.040% *  0.3529% (0.65   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    MET   92  15.44 +/- 1.95   0.018% *  0.1080% (0.20   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    MET   92  21.26 +/- 2.12   0.002% *  0.4733% (0.87   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    MET   92  20.95 +/- 1.20   0.002% *  0.5444% (1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    MET   92  19.25 +/- 1.13   0.003% *  0.2656% (0.49   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    MET   92  22.34 +/- 1.25   0.001% *  0.3309% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    MET   92  24.64 +/- 0.60   0.000% *  0.3748% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    MET   92  29.93 +/- 1.41   0.000% *  0.4733% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.07 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   3.73 +/- 0.54  99.102% * 96.1988% (0.61   2.49   7.77) =  99.999%  kept
          HB3   SER   82 - HN    TRP   27  10.29 +/- 1.63   0.692% *  0.0276% (0.02   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ALA   91  13.13 +/- 0.63   0.070% *  0.2233% (0.18   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   91  17.49 +/- 1.49   0.012% *  1.2060% (0.95   0.02   0.02) =   0.000%
          HB    THR   39 - HN    TRP   27  14.17 +/- 0.69   0.047% *  0.0706% (0.06   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    TRP   27  15.15 +/- 0.63   0.031% *  0.0955% (0.07   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    TRP   27  16.27 +/- 1.56   0.018% *  0.0955% (0.07   0.02   0.02) =   0.000%
          QB    SER   13 - HN    TRP   27  17.05 +/- 2.35   0.022% *  0.0648% (0.05   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ALA   91  25.05 +/- 1.53   0.001% *  0.5716% (0.45   0.02   0.02) =   0.000%
          HB    THR  118 - HN    TRP   27  21.85 +/- 1.24   0.003% *  0.1490% (0.12   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ALA   91  27.99 +/- 1.41   0.001% *  0.7732% (0.61   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ALA   91  28.35 +/- 1.83   0.001% *  0.5241% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.16 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.72, support = 4.96, residual support = 31.6:
          HB2   GLN   90 - HN    ALA   91   3.85 +/- 0.99  66.027% * 95.9403% (0.73   4.97  31.90) =  99.172%  kept
          HB2   GLU-  25 - HN    TRP   27   4.80 +/- 0.24  23.555% *  2.2240% (0.02   3.42   0.18) =   0.820%  kept
          HG3   GLU-  29 - HN    TRP   27   6.05 +/- 0.32   6.597% *  0.0589% (0.11   0.02   0.02) =   0.006%
          HB3   GLU-  29 - HN    TRP   27   6.80 +/- 0.21   3.094% *  0.0346% (0.07   0.02   0.02) =   0.002%
          HB3   GLU-  79 - HN    ALA   91  12.65 +/- 0.76   0.083% *  0.1052% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    TRP   27   9.46 +/- 1.00   0.563% *  0.0130% (0.02   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   91  22.95 +/- 1.16   0.002% *  0.4769% (0.90   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.31 +/- 0.36   0.054% *  0.0164% (0.03   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ALA   91  19.79 +/- 1.01   0.006% *  0.1052% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ALA   91  23.84 +/- 1.26   0.002% *  0.2798% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    TRP   27  18.91 +/- 0.39   0.007% *  0.0622% (0.12   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  18.42 +/- 0.87   0.009% *  0.0477% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   91  29.88 +/- 1.57   0.001% *  0.5031% (0.95   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    ALA   91  26.40 +/- 1.27   0.001% *  0.1326% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 744 (1.86, 7.72, 122.85 ppm):
    28 chemical-shift based assignments, quality = 0.985, support = 4.95, residual support = 31.8:
          HB3   GLN   90 - HN    ALA   91   3.50 +/- 0.86  77.640% * 89.4270% (0.99   4.97  31.90) =  99.316%  kept
          HB2   MET   92 - HN    ALA   91   5.46 +/- 1.19   6.702% *  7.0734% (0.15   2.52  14.21) =   0.678%  kept
          HB3   GLN   30 - HN    TRP   27   5.22 +/- 0.72  14.349% *  0.0112% (0.03   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ALA   91   9.24 +/- 0.95   0.403% *  0.3505% (0.97   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    ALA   91  11.65 +/- 2.03   0.202% *  0.3435% (0.95   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   91  15.74 +/- 1.95   0.051% *  0.3505% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    TRP   27   9.55 +/- 0.57   0.306% *  0.0449% (0.12   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ALA   91  11.01 +/- 1.96   0.135% *  0.0906% (0.25   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   91  16.74 +/- 2.42   0.021% *  0.3435% (0.95   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   91  14.62 +/- 1.95   0.031% *  0.2056% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    TRP   27  11.96 +/- 0.84   0.090% *  0.0433% (0.12   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   91  18.46 +/- 1.46   0.008% *  0.3560% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA   91  22.78 +/- 1.27   0.002% *  0.3632% (1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    TRP   27  16.29 +/- 1.19   0.015% *  0.0424% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   91  19.83 +/- 1.40   0.005% *  0.0906% (0.25   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    TRP   27  17.37 +/- 1.29   0.010% *  0.0424% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   91  27.66 +/- 3.13   0.001% *  0.3352% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  18.52 +/- 0.89   0.006% *  0.0445% (0.12   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    TRP   27  19.95 +/- 1.28   0.004% *  0.0440% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    TRP   27  21.71 +/- 1.76   0.003% *  0.0414% (0.11   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  19.00 +/- 0.45   0.005% *  0.0184% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA   91  25.61 +/- 1.39   0.001% *  0.0906% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  22.62 +/- 1.30   0.002% *  0.0433% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  29.01 +/- 1.63   0.000% *  0.1493% (0.41   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  21.83 +/- 1.71   0.002% *  0.0254% (0.07   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  19.78 +/- 1.35   0.003% *  0.0069% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  23.09 +/- 1.57   0.002% *  0.0112% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  26.09 +/- 2.89   0.001% *  0.0112% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.17 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.62, residual support = 14.5:
      O   QB    ALA   91 - HN    ALA   91   2.46 +/- 0.14  95.468% * 99.2924% (0.92  10.0   3.62  14.52) = 100.000%  kept
          QG2   THR   23 - HN    TRP   27   4.68 +/- 0.94   4.406% *  0.0055% (0.05   1.0   0.02   0.73) =   0.000%
          QG2   ILE   56 - HN    ALA   91  11.41 +/- 1.70   0.015% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   9.38 +/- 0.36   0.033% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  13.69 +/- 1.84   0.005% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27   9.78 +/- 1.35   0.034% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  14.32 +/- 1.07   0.003% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27  11.35 +/- 0.99   0.012% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  12.91 +/- 0.88   0.005% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  11.02 +/- 1.10   0.014% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  19.00 +/- 1.19   0.000% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  21.31 +/- 1.23   0.000% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  15.54 +/- 0.82   0.002% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  21.78 +/- 1.57   0.000% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  17.35 +/- 2.13   0.001% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  22.49 +/- 1.70   0.000% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  19.07 +/- 0.72   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  24.81 +/- 1.95   0.000% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  29.71 +/- 2.30   0.000% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  19.02 +/- 1.22   0.001% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (2.48, 6.80, 112.00 ppm):
    8 chemical-shift based assignments, quality = 0.329, support = 0.0199, residual support = 0.0199:
          HG2   GLU-  36 - HE22  GLN   32   8.67 +/- 1.05  72.511% *  7.7282% (0.20   0.02   0.02) =  53.184%  kept
          HB3   TRP   87 - HE22  GLN   90  10.62 +/- 0.72  25.132% * 18.6359% (0.49   0.02   0.02) =  44.451%  kept
          HG3   MET   96 - HE22  GLN   90  17.46 +/- 1.88   1.563% * 11.8170% (0.31   0.02   0.02) =   1.753%  kept
          HG3   GLN  116 - HE22  GLN   90  27.69 +/- 3.07   0.099% * 21.6759% (0.57   0.02   0.02) =   0.205%
          HG3   MET   96 - HE22  GLN   32  21.14 +/- 1.58   0.417% *  4.5337% (0.12   0.02   0.02) =   0.179%
          HB3   TRP   87 - HE22  GLN   32  23.37 +/- 1.66   0.227% *  7.1499% (0.19   0.02   0.02) =   0.154%
          HG2   GLU-  36 - HE22  GLN   90  32.69 +/- 2.67   0.030% * 20.1433% (0.53   0.02   0.02) =   0.058%
          HG3   GLN  116 - HE22  GLN   32  34.78 +/- 2.11   0.019% *  8.3162% (0.22   0.02   0.02) =   0.015%
    Distance limit 5.50 A violated in 19 structures by 2.68 A, eliminated.
    Peak unassigned.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.16, residual support = 159.3:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.00  99.990% * 99.2019% (0.18  10.0   5.16 159.35) = 100.000%  kept
          HA    LEU   71 - HN    LYS+ 102  14.27 +/- 1.40   0.009% *  0.2329% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LYS+ 102  20.58 +/- 1.72   0.001% *  0.5652% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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   3.26 +/- 0.16  99.858% * 99.3899% (0.61  10.0   3.13  12.51) = 100.000%  kept
          HA    ALA   34 - HN    LYS+ 102  11.23 +/- 1.70   0.094% *  0.0674% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+ 102  13.23 +/- 2.11   0.033% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+ 102  18.59 +/- 2.20   0.004% *  0.1624% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+ 102  20.48 +/- 1.50   0.002% *  0.1252% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  18.63 +/- 1.67   0.003% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    LYS+ 102  19.01 +/- 2.21   0.003% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+ 102  21.17 +/- 1.66   0.001% *  0.0506% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  23.74 +/- 1.27   0.001% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 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   3.00 +/- 0.63  99.983% * 99.6785% (0.28  10.0   3.13  12.51) = 100.000%  kept
          HB2   TRP   27 - HN    LYS+ 102  15.52 +/- 2.11   0.016% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    LYS+ 102  22.80 +/- 0.66   0.001% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 0.73, support = 0.02, residual support = 0.02:
          QB    GLU- 114 - HN    LYS+ 102  17.83 +/- 1.48  15.372% * 12.0512% (0.84   0.02   0.02) =  21.606%  kept
          HG3   GLN   30 - HN    LYS+ 102  15.19 +/- 2.64  37.489% *  3.5976% (0.25   0.02   0.02) =  15.730%  kept
          HB    ILE   19 - HN    LYS+ 102  19.10 +/- 2.47   9.950% * 11.0262% (0.76   0.02   0.02) =  12.796%  kept
          QB    GLU-  15 - HN    LYS+ 102  19.81 +/- 2.85   7.968% * 13.6482% (0.95   0.02   0.02) =  12.684%  kept
          HG2   PRO   68 - HN    LYS+ 102  19.03 +/- 2.43  10.926% *  9.9106% (0.69   0.02   0.02) =  12.629%  kept
          HB3   PRO   68 - HN    LYS+ 102  19.53 +/- 1.88   8.281% *  8.7509% (0.61   0.02   0.02) =   8.452%  kept
          HB3   GLU-  25 - HN    LYS+ 102  21.16 +/- 2.19   4.523% * 14.4279% (1.00   0.02   0.02) =   7.612%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  23.53 +/- 2.26   3.012% * 12.9393% (0.90   0.02   0.02) =   4.546%  kept
          HB2   GLN   17 - HN    LYS+ 102  23.43 +/- 1.77   2.478% * 13.6482% (0.95   0.02   0.02) =   3.945%  kept
    Distance limit 4.41 A violated in 20 structures by 8.07 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 4.64, residual support = 159.3:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.56 +/- 0.07  98.797% * 99.4444% (0.98  10.0   4.64 159.35) =  99.999%  kept
          HB    VAL   41 - HN    LYS+ 102   6.99 +/- 1.31   0.636% *  0.0615% (0.61   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+ 102   6.23 +/- 0.48   0.550% *  0.0455% (0.45   1.0   0.02  22.38) =   0.000%
          HB2   LEU   71 - HN    LYS+ 102  11.64 +/- 1.50   0.015% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LYS+ 102  18.50 +/- 1.63   0.001% *  0.0812% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LYS+ 102  21.09 +/- 1.19   0.000% *  0.0937% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  22.57 +/- 0.92   0.000% *  0.0994% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  20.88 +/- 4.18   0.001% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  23.77 +/- 1.85   0.000% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  26.43 +/- 1.39   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 3.73, residual support = 108.0:
          HG2   LYS+ 102 - HN    LYS+ 102   3.81 +/- 0.35  51.704% * 60.9097% (0.28   4.42 159.35) =  67.300%  kept
          QB    LEU   98 - HN    LYS+ 102   3.91 +/- 0.84  48.202% * 31.7448% (0.28   2.30   2.23) =  32.699%  kept
          HD3   LYS+ 121 - HN    LYS+ 102  16.20 +/- 4.26   0.037% *  0.5614% (0.57   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+ 102  13.45 +/- 1.30   0.027% *  0.3722% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+ 102  17.20 +/- 2.67   0.007% *  0.7578% (0.76   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+ 102  18.30 +/- 2.67   0.004% *  0.9828% (0.99   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+ 102  19.58 +/- 1.71   0.004% *  0.9894% (1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+ 102  20.06 +/- 2.67   0.003% *  0.9894% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 102  18.90 +/- 2.19   0.003% *  0.7201% (0.73   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+ 102  19.47 +/- 1.22   0.003% *  0.8893% (0.90   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+ 102  19.80 +/- 2.12   0.004% *  0.5614% (0.57   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 102  19.87 +/- 1.57   0.002% *  0.5217% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.02 A, kept.
 
    Peak 754 (0.74, 7.76, 120.90 ppm):
    7 chemical-shift based assignments, quality = 0.495, support = 1.69, residual support = 1.3:
          QD1   LEU   98 - HN    LYS+ 102   4.94 +/- 1.25  28.360% * 65.7423% (0.18   2.77   2.23) =  57.853%  kept
          QD2   LEU  104 - HN    LYS+ 102   4.09 +/- 1.11  54.118% * 24.7936% (0.95   0.19   0.02) =  41.635%  kept
          QG1   VAL   41 - HN    LYS+ 102   5.83 +/- 1.52  16.954% *  0.9232% (0.34   0.02   0.02) =   0.486%
          QG1   VAL   43 - HN    LYS+ 102   9.01 +/- 1.60   0.548% *  1.4240% (0.53   0.02   0.02) =   0.024%
          QD1   ILE   19 - HN    LYS+ 102  17.30 +/- 1.64   0.008% *  2.7006% (1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LYS+ 102  17.43 +/- 1.09   0.006% *  2.0685% (0.76   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LYS+ 102  18.28 +/- 1.52   0.006% *  2.3478% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 6.45, residual support = 41.2:
      O   HA    ILE   89 - HN    GLN   90   2.91 +/- 0.56  99.898% * 99.5753% (0.61  10.0   6.45  41.20) = 100.000%  kept
          HB3   SER   82 - HN    GLN   90  11.08 +/- 1.09   0.098% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLN   90  18.54 +/- 1.55   0.003% *  0.1553% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  24.59 +/- 1.53   0.001% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  27.35 +/- 1.49   0.000% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  28.38 +/- 2.16   0.000% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.27 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 6.03, residual support = 95.6:
          QG    GLN   90 - HN    GLN   90   2.44 +/- 0.66  98.028% * 97.9341% (0.90   6.03  95.62) =  99.995%  kept
          HG3   MET   92 - HN    GLN   90   8.55 +/- 2.09   1.956% *  0.2197% (0.61   0.02   0.02) =   0.004%
          HB2   ASP-  44 - HN    GLN   90  13.83 +/- 1.42   0.011% *  0.2630% (0.73   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLN   90  19.71 +/- 1.56   0.001% *  0.3590% (0.99   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLN   90  19.22 +/- 1.28   0.001% *  0.3026% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLN   90  21.17 +/- 1.75   0.001% *  0.2630% (0.73   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLN   90  18.12 +/- 1.16   0.001% *  0.0903% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLN   90  25.52 +/- 2.65   0.000% *  0.2768% (0.76   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    GLN   90  24.92 +/- 2.23   0.000% *  0.2197% (0.61   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLN   90  31.64 +/- 3.29   0.000% *  0.0717% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (1.87, 8.62, 127.39 ppm):
    13 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 95.6:
      O   HB3   GLN   90 - HN    GLN   90   3.34 +/- 0.39  94.805% * 99.1031% (0.92  10.0   5.59  95.62) =  99.997%  kept
          HB2   MET   92 - HN    GLN   90   7.32 +/- 2.05   3.946% *  0.0403% (0.38   1.0   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    GLN   90   7.90 +/- 0.94   1.132% *  0.1036% (0.97   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    GLN   90  11.83 +/- 1.53   0.072% *  0.1052% (0.98   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   90  15.90 +/- 1.89   0.014% *  0.0737% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   90  16.51 +/- 1.89   0.009% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   90  17.85 +/- 1.86   0.009% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   90  18.66 +/- 1.14   0.004% *  0.0820% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  19.02 +/- 1.77   0.004% *  0.0565% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    GLN   90  22.08 +/- 1.52   0.002% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  22.10 +/- 1.53   0.002% *  0.0239% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   90  28.16 +/- 2.81   0.000% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  28.31 +/- 1.56   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.07 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 7.31, residual support = 41.2:
          QG2   ILE   89 - HN    GLN   90   2.72 +/- 0.78 100.000% *100.0000% (0.65   7.31  41.20) = 100.000%  kept
    Distance limit 3.83 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 = 5.9, residual support = 41.2:
          QD1   ILE   89 - HN    GLN   90   4.38 +/- 0.33  89.269% * 99.5473% (0.49   5.90  41.20) =  99.979%  kept
          QG2   VAL   83 - HN    GLN   90   6.77 +/- 0.77   8.228% *  0.1729% (0.25   0.02   0.02) =   0.016%
          QG2   VAL   75 - HN    GLN   90   8.95 +/- 1.66   2.447% *  0.1729% (0.25   0.02   0.02) =   0.005%
          QG2   VAL   42 - HN    GLN   90  15.23 +/- 0.99   0.055% *  0.1070% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.15 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 4.13, residual support = 8.25:
      O   HA    ALA   88 - HN    ILE   89   3.25 +/- 0.21  97.162% * 99.4024% (0.99  10.0   4.13   8.25) =  99.999%  kept
          QB    SER   85 - HN    ILE   89   5.94 +/- 0.42   2.694% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ILE   89  10.41 +/- 0.48   0.094% *  0.0649% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   89  15.16 +/- 2.22   0.029% *  0.0968% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ILE   89  15.29 +/- 1.52   0.012% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ILE   89  21.42 +/- 1.51   0.001% *  0.0983% (0.98   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  19.86 +/- 0.91   0.002% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  20.08 +/- 1.34   0.002% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  23.93 +/- 1.31   0.001% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  21.38 +/- 1.13   0.001% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  21.76 +/- 1.12   0.001% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  25.67 +/- 0.80   0.000% *  0.0279% (0.28   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  27.16 +/- 1.04   0.000% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.07 A, kept.
 
    Peak 762 (3.89, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 6.02, residual support = 216.2:
      O   HA    ILE   89 - HN    ILE   89   2.68 +/- 0.16  99.997% * 99.5011% (0.34  10.0   6.02 216.15) = 100.000%  kept
          HB    THR  118 - HN    ILE   89  17.71 +/- 1.75   0.001% *  0.2118% (0.73   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    ILE   89  18.04 +/- 0.88   0.001% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  22.47 +/- 1.16   0.000% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  25.17 +/- 1.13   0.000% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  27.87 +/- 1.95   0.000% *  0.0577% (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 763 (1.75, 7.91, 118.70 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.59, residual support = 216.2:
      O   HB    ILE   89 - HN    ILE   89   2.51 +/- 0.39  99.901% * 99.6919% (0.45  10.0   5.59 216.15) = 100.000%  kept
          HB    VAL   43 - HN    ILE   89  10.38 +/- 1.11   0.046% *  0.1170% (0.53   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ILE   89   9.89 +/- 1.04   0.052% *  0.0997% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ILE   89  19.43 +/- 1.97   0.001% *  0.0914% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.8, residual support = 216.2:
          HG12  ILE   89 - HN    ILE   89   2.49 +/- 0.80  99.567% * 97.9292% (0.76   5.80 216.15) =  99.999%  kept
          QB    ALA   91 - HN    ILE   89   6.48 +/- 1.18   0.419% *  0.1364% (0.31   0.02   7.77) =   0.001%
          HG2   LYS+  74 - HN    ILE   89  14.55 +/- 1.35   0.005% *  0.3833% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   89  18.27 +/- 2.67   0.006% *  0.3036% (0.69   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   89  20.31 +/- 1.31   0.001% *  0.3963% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   89  21.37 +/- 1.83   0.001% *  0.3691% (0.84   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   89  21.49 +/- 1.08   0.001% *  0.2859% (0.65   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   89  19.43 +/- 0.96   0.001% *  0.1364% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   89  25.99 +/- 2.18   0.000% *  0.0598% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.12 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.35, residual support = 216.1:
          QG2   ILE   89 - HN    ILE   89   3.66 +/- 0.09  98.298% * 99.7861% (1.00   6.35 216.15) =  99.997%  kept
          QG1   VAL   83 - HN    ILE   89   7.33 +/- 0.42   1.687% *  0.1654% (0.53   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    ILE   89  16.25 +/- 1.37   0.015% *  0.0485% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 5.54, residual support = 216.2:
          HG13  ILE   89 - HN    ILE   89   3.53 +/- 0.52 100.000% *100.0000% (0.90   5.54 216.15) = 100.000%  kept
    Distance limit 3.75 A violated in 0 structures by 0.12 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 11.5:
      O   HA    ALA   88 - HN    ALA   88   2.23 +/- 0.01  99.978% * 99.0917% (0.84  10.0   1.63  11.50) = 100.000%  kept
          HB2   SER   82 - HN    ALA   88   9.52 +/- 0.51   0.018% *  0.1303% (0.90   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   88  17.01 +/- 2.51   0.003% *  0.1425% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   88  17.67 +/- 1.83   0.001% *  0.0882% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  19.80 +/- 1.35   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  21.04 +/- 1.64   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  21.47 +/- 0.83   0.000% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  23.96 +/- 1.40   0.000% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  22.84 +/- 1.18   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  23.53 +/- 1.07   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 1.91, residual support = 11.5:
      O   QB    ALA   88 - HN    ALA   88   2.91 +/- 0.08  94.334% * 99.0804% (0.73  10.0   1.91  11.50) =  99.998%  kept
          QB    ALA   84 - HN    ALA   88   4.76 +/- 0.16   5.191% *  0.0220% (0.15   1.0   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    ALA   88   7.69 +/- 0.74   0.347% *  0.0487% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   88   9.33 +/- 0.80   0.105% *  0.0981% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  13.57 +/- 2.14   0.013% *  0.0318% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   88  16.93 +/- 1.52   0.003% *  0.1193% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   88  15.26 +/- 0.79   0.005% *  0.0640% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   88  20.49 +/- 2.65   0.001% *  0.1281% (0.90   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   88  21.61 +/- 2.18   0.001% *  0.1428% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  22.02 +/- 1.26   0.001% *  0.0808% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  25.53 +/- 1.88   0.000% *  0.1400% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  26.59 +/- 2.42   0.000% *  0.0441% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (3.42, 7.69, 117.92 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.84, residual support = 74.0:
      O   HB2   TRP   87 - HN    TRP   87   3.72 +/- 0.03  99.942% * 99.8429% (0.73  10.0   3.84  74.03) = 100.000%  kept
          HB    THR   46 - HN    TRP   87  14.49 +/- 1.47   0.047% *  0.0469% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   PHE   60 - HN    TRP   87  18.30 +/- 1.09   0.008% *  0.0889% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    TRP   87  22.64 +/- 3.31   0.003% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 3.91, residual support = 22.5:
          HB2   ASP-  86 - HN    TRP   87   2.59 +/- 0.20  99.984% * 97.4619% (0.80   3.91  22.49) = 100.000%  kept
          HB2   ASN   28 - HN    TRP   87  14.68 +/- 1.32   0.004% *  0.6230% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    TRP   87  14.06 +/- 0.50   0.004% *  0.3278% (0.53   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    TRP   87  13.24 +/- 0.61   0.007% *  0.0961% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    TRP   87  19.52 +/- 1.27   0.001% *  0.6107% (0.98   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    TRP   87  19.92 +/- 2.01   0.001% *  0.2793% (0.45   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    TRP   87  24.48 +/- 1.56   0.000% *  0.6012% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 74.0:
      O   HB3   TRP   87 - HN    TRP   87   3.00 +/- 0.07  99.994% * 99.8532% (1.00  10.0   3.71  74.03) = 100.000%  kept
          HG2   GLU-  25 - HN    TRP   87  16.01 +/- 1.52   0.005% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  24.61 +/- 1.59   0.000% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 5.29:
          QB    ALA   88 - HN    TRP   87   4.43 +/- 0.07  93.975% * 96.6847% (0.53   2.24   5.30) =  99.905%  kept
          QG2   THR   77 - HN    TRP   87   7.23 +/- 0.66   5.727% *  1.4701% (0.90   0.02   0.02) =   0.093%
          QG2   THR   23 - HN    TRP   87  12.54 +/- 0.85   0.202% *  0.8624% (0.53   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    TRP   87  14.84 +/- 1.14   0.077% *  0.3649% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    TRP   87  19.92 +/- 2.09   0.014% *  0.2529% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    TRP   87  23.67 +/- 1.79   0.005% *  0.3649% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.04 A, kept.
 
    Peak 774 (0.08, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.81, support = 1.89, residual support = 16.5:
          QD1   ILE   89 - HN    TRP   87   4.11 +/- 0.37  49.910% * 76.7855% (0.76   2.29  16.88) =  77.365%  kept
          QG2   VAL   83 - HN    TRP   87   4.14 +/- 0.43  49.935% * 22.4517% (0.97   0.53  15.32) =  22.632%  kept
          QD2   LEU   31 - HN    TRP   87  11.24 +/- 1.23   0.156% *  0.7628% (0.87   0.02   1.75) =   0.002%
    Distance limit 4.19 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 = 0.476, support = 0.928, residual support = 15.5:
          QG2   VAL   83 - HE1   TRP   87   2.08 +/- 0.57  96.271% * 26.0153% (0.45   0.86  15.32) =  90.078%  kept
          QD1   ILE   89 - HE1   TRP   87   4.85 +/- 0.83   3.729% * 73.9847% (0.73   1.52  16.88) =   9.922%  kept
    Distance limit 4.57 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 = 3.31, residual support = 13.3:
          QB    SER   85 - HN    ASP-  86   2.99 +/- 0.06  94.220% * 83.9914% (0.76   3.33  13.43) =  99.282%  kept
          HA    ALA   88 - HN    ASP-  86   5.00 +/- 0.08   4.403% * 12.9664% (0.69   0.57   0.02) =   0.716%  kept
          HB2   SER   82 - HN    ASP-  86   6.32 +/- 0.59   1.323% *  0.1018% (0.15   0.02   0.02) =   0.002%
          HB    THR   94 - HN    ASP-  86  11.71 +/- 1.43   0.036% *  0.1018% (0.15   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ASP-  86  14.75 +/- 1.73   0.011% *  0.1468% (0.22   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASP-  86  16.94 +/- 1.98   0.005% *  0.2957% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASP-  86  18.82 +/- 1.58   0.002% *  0.5914% (0.90   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ASP-  86  18.87 +/- 1.63   0.002% *  0.4789% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ASP-  86  27.11 +/- 0.80   0.000% *  0.5508% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ASP-  86  27.94 +/- 1.25   0.000% *  0.5040% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ASP-  86  27.46 +/- 2.13   0.000% *  0.2711% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 777 (3.82, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 2.25, residual support = 10.8:
          HA    VAL   83 - HN    ASP-  86   2.94 +/- 0.13  99.993% * 95.3192% (0.61   2.25  10.83) = 100.000%  kept
          HB2   CYS   53 - HN    ASP-  86  18.54 +/- 1.45   0.002% *  1.3481% (0.97   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  86  17.98 +/- 1.29   0.002% *  0.8473% (0.61   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  86  19.51 +/- 2.23   0.001% *  0.7909% (0.57   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  86  19.82 +/- 1.72   0.001% *  0.7350% (0.53   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    ASP-  86  23.73 +/- 1.13   0.000% *  0.9596% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 778 (2.93, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 4.99, residual support = 41.6:
      O   HB2   ASP-  86 - HN    ASP-  86   2.47 +/- 0.22  99.989% * 99.6258% (0.98  10.0   4.99  41.62) = 100.000%  kept
          HB2   ASN   28 - HN    ASP-  86  13.62 +/- 1.35   0.005% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASP-  86  13.46 +/- 0.55   0.004% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  19.46 +/- 1.26   0.001% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  20.05 +/- 2.00   0.001% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  86  25.48 +/- 1.82   0.000% *  0.0996% (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 779 (2.46, 8.31, 124.24 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.56, residual support = 41.6:
      O   HB3   ASP-  86 - HN    ASP-  86   2.81 +/- 0.58  99.944% * 99.2823% (0.41  10.0   3.56  41.62) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  86  11.49 +/- 1.59   0.052% *  0.2394% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  86  17.18 +/- 1.36   0.003% *  0.0671% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  86  24.36 +/- 1.69   0.000% *  0.2095% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    ASP-  86  25.54 +/- 0.92   0.000% *  0.2017% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 18.1:
      O   QB    SER   85 - HN    SER   85   2.18 +/- 0.03  98.781% * 99.3113% (0.76  10.0   3.15  18.15) =  99.999%  kept
          HA    ALA   88 - HN    SER   85   4.80 +/- 0.15   0.885% *  0.0893% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    SER   85   5.70 +/- 0.25   0.324% *  0.0201% (0.15   1.0   0.02   2.96) =   0.000%
          HB    THR   94 - HN    SER   85  11.94 +/- 1.38   0.005% *  0.0201% (0.15   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER   85  13.24 +/- 1.66   0.003% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   85  15.44 +/- 1.96   0.001% *  0.0583% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  17.74 +/- 1.59   0.000% *  0.1165% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  20.50 +/- 1.45   0.000% *  0.0944% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  27.63 +/- 0.73   0.000% *  0.1085% (0.84   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  28.47 +/- 1.11   0.000% *  0.0993% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  28.41 +/- 1.83   0.000% *  0.0534% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 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 +/- 0.03  99.870% * 99.3529% (0.49  10.0   3.27  20.73) = 100.000%  kept
          HA    VAL   75 - HN    SER   85  11.24 +/- 0.63   0.114% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    SER   85  18.58 +/- 1.93   0.007% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    SER   85  19.55 +/- 2.17   0.005% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    SER   85  24.24 +/- 2.21   0.001% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    SER   85  23.77 +/- 1.98   0.001% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    SER   85  23.16 +/- 0.99   0.001% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.50 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   2.74 +/- 0.12  99.332% * 95.9098% (1.00   3.87  20.73) =  99.998%  kept
          HB3   LEU   80 - HN    SER   85   6.56 +/- 0.54   0.644% *  0.2615% (0.53   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    SER   85  15.31 +/- 1.90   0.005% *  0.4797% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    SER   85  15.63 +/- 1.04   0.003% *  0.4970% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    SER   85  15.49 +/- 0.81   0.003% *  0.3798% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   85  16.83 +/- 1.87   0.002% *  0.3015% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   85  15.32 +/- 0.71   0.004% *  0.1865% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    SER   85  16.40 +/- 1.36   0.003% *  0.1865% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   85  18.99 +/- 2.67   0.001% *  0.2043% (0.41   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   85  19.04 +/- 0.63   0.001% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    SER   85  22.97 +/- 1.30   0.000% *  0.3215% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  22.11 +/- 2.01   0.000% *  0.1239% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    SER   85  23.12 +/- 2.81   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   85  24.97 +/- 2.71   0.000% *  0.2419% (0.49   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    SER   85  28.23 +/- 2.34   0.000% *  0.4457% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  27.91 +/- 1.63   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 4.03, residual support = 18.8:
      O   HA    ALA   84 - HN    ALA   84   2.76 +/- 0.03  99.875% * 99.3529% (0.49  10.0   4.03  18.78) = 100.000%  kept
          HA    VAL   75 - HN    ALA   84   8.59 +/- 0.61   0.120% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA   84  17.25 +/- 1.70   0.002% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA   84  19.05 +/- 2.18   0.001% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA   84  22.76 +/- 2.18   0.000% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  22.70 +/- 1.83   0.000% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  21.25 +/- 1.07   0.001% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (1.66, 7.58, 119.96 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.35, residual support = 43.7:
          HB    VAL   83 - HN    ALA   84   3.20 +/- 0.37  99.900% * 97.8551% (0.99   5.35  43.70) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   84  13.73 +/- 1.38   0.025% *  0.1519% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA   84  14.56 +/- 1.16   0.016% *  0.1944% (0.53   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA   84  12.97 +/- 1.77   0.039% *  0.0647% (0.18   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA   84  17.01 +/- 1.98   0.006% *  0.2683% (0.73   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    ALA   84  15.98 +/- 1.47   0.010% *  0.0647% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   84  23.41 +/- 1.29   0.001% *  0.3662% (0.99   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   84  23.72 +/- 1.54   0.001% *  0.3565% (0.97   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   84  24.25 +/- 2.28   0.001% *  0.3495% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA   84  23.96 +/- 3.01   0.001% *  0.0921% (0.25   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ALA   84  28.36 +/- 2.23   0.000% *  0.1798% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  24.10 +/- 2.98   0.001% *  0.0570% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.12 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.34, residual support = 18.8:
      O   QB    ALA   84 - HN    ALA   84   2.01 +/- 0.05  97.093% * 99.0428% (0.87  10.0   4.34  18.78) =  99.999%  kept
          HB3   LEU   80 - HN    ALA   84   4.08 +/- 0.63   2.901% *  0.0317% (0.28   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    ALA   84  13.01 +/- 0.62   0.001% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   84  13.98 +/- 1.16   0.001% *  0.1024% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  14.41 +/- 1.71   0.001% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  13.32 +/- 0.94   0.001% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  16.38 +/- 1.65   0.000% *  0.0990% (0.87   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  17.20 +/- 0.55   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  19.01 +/- 2.36   0.000% *  0.0784% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  15.12 +/- 1.05   0.001% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  20.32 +/- 1.87   0.000% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  23.74 +/- 2.80   0.000% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  21.00 +/- 1.39   0.000% *  0.0429% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  25.56 +/- 1.77   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  27.06 +/- 2.26   0.000% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  23.89 +/- 2.69   0.000% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 0.691, support = 5.87, residual support = 43.0:
          QG1   VAL   83 - HN    ALA   84   4.12 +/- 0.17  77.261% * 93.4464% (0.69   5.96  43.70) =  98.426%  kept
          QD2   LEU   80 - HN    ALA   84   5.28 +/- 0.66  22.532% *  5.1225% (0.95   0.24   0.02) =   1.574%  kept
          QD1   LEU   73 - HN    ALA   84  11.61 +/- 0.47   0.157% *  0.2770% (0.61   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    ALA   84  17.69 +/- 2.28   0.017% *  0.4215% (0.92   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   84  16.97 +/- 1.82   0.021% *  0.2770% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   84  18.07 +/- 1.16   0.012% *  0.4556% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.07 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 6.45, residual support = 43.7:
          QG2   VAL   83 - HN    ALA   84   3.10 +/- 0.57  97.392% * 99.3123% (0.76   6.45  43.70) =  99.995%  kept
          QD1   ILE   89 - HN    ALA   84   6.25 +/- 0.66   2.000% *  0.1961% (0.49   0.02  10.64) =   0.004%
          QG2   VAL   43 - HN    ALA   84   8.41 +/- 0.92   0.533% *  0.0897% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   31 - HN    ALA   84  11.42 +/- 1.00   0.076% *  0.4019% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 20.1:
          HB2   SER   82 - HN    VAL   83   3.22 +/- 0.16  99.701% * 97.0121% (0.75   4.10  20.14) =  99.999%  kept
          HA    ALA   88 - HN    VAL   83   8.74 +/- 0.28   0.259% *  0.2679% (0.43   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    VAL   83  14.61 +/- 1.01   0.013% *  0.4637% (0.74   0.02   0.02) =   0.000%
          HA    SER   48 - HN    VAL   83  14.87 +/- 1.48   0.012% *  0.3788% (0.60   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    VAL   83  18.23 +/- 1.18   0.003% *  0.4689% (0.75   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   83  17.48 +/- 0.99   0.004% *  0.2489% (0.40   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   83  20.16 +/- 1.09   0.002% *  0.4243% (0.68   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   83  18.21 +/- 1.53   0.004% *  0.1614% (0.26   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    VAL   83  21.56 +/- 0.82   0.001% *  0.2870% (0.46   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   83  25.39 +/- 1.87   0.000% *  0.2870% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 87.5:
      O   HA    VAL   83 - HN    VAL   83   2.79 +/- 0.02  99.992% * 99.4506% (0.46  10.0   4.70  87.48) = 100.000%  kept
          HA    GLN   30 - HN    VAL   83  15.55 +/- 1.06   0.004% *  0.0995% (0.46   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    VAL   83  17.44 +/- 1.45   0.002% *  0.1582% (0.73   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    VAL   83  19.39 +/- 1.63   0.001% *  0.0863% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    VAL   83  19.88 +/- 1.54   0.001% *  0.0928% (0.43   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    VAL   83  22.73 +/- 1.40   0.000% *  0.1126% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 87.5:
      O   HB    VAL   83 - HN    VAL   83   2.45 +/- 0.54  99.979% * 99.4176% (0.75  10.0   4.77  87.48) = 100.000%  kept
          HD2   LYS+  74 - HN    VAL   83  13.98 +/- 1.38   0.008% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  16.86 +/- 1.73   0.002% *  0.0728% (0.55   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  16.43 +/- 1.15   0.003% *  0.0528% (0.40   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  15.21 +/- 1.78   0.005% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  17.01 +/- 1.54   0.002% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  22.52 +/- 1.22   0.000% *  0.0994% (0.75   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    VAL   83  23.89 +/- 1.66   0.000% *  0.0968% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  25.17 +/- 2.35   0.000% *  0.0949% (0.71   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  29.11 +/- 2.57   0.000% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  25.90 +/- 3.03   0.000% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  26.10 +/- 3.03   0.000% *  0.0155% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.06 A, kept.
 
    Peak 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.19, support = 0.0198, residual support = 0.0198:
          HB2   LEU   80 - HN    VAL   83   4.30 +/- 0.54  99.305% *  2.8578% (0.19   0.02   0.02) =  98.177%  kept
          HB3   LEU   73 - HN    VAL   83  12.35 +/- 0.73   0.217% *  9.9416% (0.65   0.02   0.02) =   0.746%  kept
          QB    LEU   98 - HN    VAL   83  13.63 +/- 1.22   0.139% *  7.8727% (0.52   0.02   0.02) =   0.379%
          HB3   LYS+  74 - HN    VAL   83  13.10 +/- 0.79   0.156% *  4.7118% (0.31   0.02   0.02) =   0.254%
          HB    VAL   42 - HN    VAL   83  17.07 +/- 0.79   0.031% * 10.5799% (0.70   0.02   0.02) =   0.112%
          HG3   LYS+ 106 - HN    VAL   83  17.37 +/- 1.61   0.034% *  7.4142% (0.49   0.02   0.02) =   0.087%
          HG3   LYS+ 102 - HN    VAL   83  18.75 +/- 2.29   0.024% *  9.5730% (0.63   0.02   0.02) =   0.078%
          HG3   LYS+  33 - HN    VAL   83  18.78 +/- 1.91   0.020% * 11.0607% (0.73   0.02   0.02) =   0.076%
          HB3   PRO   93 - HN    VAL   83  15.67 +/- 1.17   0.058% *  1.7684% (0.12   0.02   0.02) =   0.036%
          QB    ALA   12 - HN    VAL   83  22.84 +/- 2.79   0.009% * 10.5799% (0.70   0.02   0.02) =   0.032%
          HG3   LYS+  65 - HN    VAL   83  25.80 +/- 1.98   0.003% * 10.5799% (0.70   0.02   0.02) =   0.010%
          HB2   LYS+ 112 - HN    VAL   83  25.49 +/- 2.85   0.003% *  8.7588% (0.58   0.02   0.02) =   0.009%
          HD3   LYS+ 121 - HN    VAL   83  25.90 +/- 3.03   0.003% *  4.3014% (0.28   0.02   0.02) =   0.004%
    Distance limit 3.77 A violated in 6 structures by 0.57 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 = 0.742, support = 5.28, residual support = 86.2:
          QG1   VAL   83 - HN    VAL   83   2.45 +/- 0.36  88.249% * 89.5673% (0.75   5.34  87.48) =  98.575%  kept
          QD2   LEU   80 - HN    VAL   83   4.17 +/- 0.75  11.559% *  9.8815% (0.31   1.42   0.02) =   1.424%  kept
          QG2   ILE   89 - HN    VAL   83   7.07 +/- 0.33   0.191% *  0.2053% (0.46   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   83  18.13 +/- 1.25   0.001% *  0.2189% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   83  18.81 +/- 2.37   0.001% *  0.1270% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 5.33, residual support = 87.5:
          QG2   VAL   83 - HN    VAL   83   3.28 +/- 0.63  99.024% * 99.4022% (0.74   5.33  87.48) =  99.997%  kept
          QD1   ILE   89 - HN    VAL   83   7.80 +/- 0.86   0.777% *  0.3671% (0.73   0.02   0.02) =   0.003%
          QD2   LEU   31 - HN    VAL   83  10.36 +/- 1.12   0.199% *  0.2307% (0.46   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 4.32, residual support = 34.9:
      O   HB2   SER   82 - HN    SER   82   2.28 +/- 0.51  99.945% * 99.3063% (0.87  10.0   4.32  34.86) = 100.000%  kept
          HA    ALA   88 - HN    SER   82   9.65 +/- 0.26   0.046% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   82  14.51 +/- 1.57   0.004% *  0.0557% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    SER   82  15.97 +/- 0.99   0.002% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    SER   82  19.72 +/- 1.13   0.001% *  0.1057% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    SER   82  21.96 +/- 1.11   0.000% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  23.80 +/- 0.79   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  19.34 +/- 0.94   0.001% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  18.57 +/- 1.46   0.001% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  27.27 +/- 1.74   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  25.67 +/- 1.14   0.000% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (3.87, 8.64, 114.33 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 3.71, residual support = 34.9:
      O   HB3   SER   82 - HN    SER   82   2.99 +/- 0.31  99.948% * 99.2682% (0.69  10.0   3.71  34.86) = 100.000%  kept
          HA    ILE   89 - HN    SER   82  10.97 +/- 0.30   0.045% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   82  23.03 +/- 1.03   0.001% *  0.1395% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  17.20 +/- 1.05   0.004% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  24.69 +/- 1.09   0.000% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   82  25.64 +/- 2.19   0.000% *  0.1367% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  24.17 +/- 1.47   0.000% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  19.65 +/- 1.62   0.002% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (1.87, 8.64, 114.33 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.07, residual support = 19.1:
          QB    LYS+  81 - HN    SER   82   2.95 +/- 0.19  99.929% * 96.7144% (0.97   5.07  19.09) = 100.000%  kept
          HB3   GLN   90 - HN    SER   82  10.76 +/- 0.62   0.047% *  0.3649% (0.92   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    SER   82  16.62 +/- 1.40   0.004% *  0.3874% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    SER   82  15.08 +/- 1.14   0.007% *  0.2080% (0.53   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    SER   82  15.64 +/- 1.98   0.007% *  0.1483% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    SER   82  18.59 +/- 1.19   0.002% *  0.3429% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    SER   82  18.46 +/- 1.55   0.002% *  0.2715% (0.69   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    SER   82  22.57 +/- 1.79   0.001% *  0.3429% (0.87   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    SER   82  22.51 +/- 1.72   0.001% *  0.2870% (0.73   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    SER   82  22.81 +/- 1.64   0.001% *  0.3021% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    SER   82  26.93 +/- 1.00   0.000% *  0.2870% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    SER   82  29.42 +/- 1.77   0.000% *  0.2557% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    SER   82  26.12 +/- 1.30   0.000% *  0.0880% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (1.58, 8.64, 114.33 ppm):
    3 chemical-shift based assignments, quality = 0.249, support = 5.07, residual support = 19.1:
          QG    LYS+  81 - HN    SER   82   4.13 +/- 0.21  99.983% * 98.7575% (0.25   5.07  19.09) = 100.000%  kept
          HG2   LYS+ 106 - HN    SER   82  19.26 +/- 1.77   0.012% *  0.4821% (0.31   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HN    SER   82  22.71 +/- 1.60   0.004% *  0.7603% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.90 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 = 0.92, support = 4.23, residual support = 18.1:
          QG1   VAL   83 - HN    SER   82   4.49 +/- 0.36  68.312% * 78.8197% (0.95   4.52  20.14) =  89.966%  kept
          QD2   LEU   80 - HN    SER   82   5.31 +/- 0.72  29.630% * 20.2583% (0.69   1.60   0.17) =  10.030%  kept
          QG2   ILE   89 - HN    SER   82   8.14 +/- 0.35   1.877% *  0.1257% (0.34   0.02   0.02) =   0.004%
          QD1   LEU   73 - HN    SER   82  12.50 +/- 0.63   0.150% *  0.1137% (0.31   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    SER   82  20.26 +/- 1.22   0.009% *  0.3305% (0.90   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    SER   82  20.31 +/- 2.25   0.009% *  0.2384% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    SER   82  19.21 +/- 1.82   0.013% *  0.1137% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.07 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.21, residual support = 107.4:
      O   QB    LYS+  81 - HN    LYS+  81   2.44 +/- 0.12  99.976% * 99.1460% (0.97  10.0   5.21 107.43) = 100.000%  kept
          HB3   GLN   90 - HN    LYS+  81  10.53 +/- 0.66   0.017% *  0.0948% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  81  17.02 +/- 1.38   0.001% *  0.1007% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  81  14.89 +/- 1.73   0.003% *  0.0386% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  15.35 +/- 1.01   0.002% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  18.95 +/- 0.95   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  19.73 +/- 1.51   0.000% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  20.65 +/- 1.75   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  21.42 +/- 1.67   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  23.24 +/- 1.55   0.000% *  0.0785% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  27.82 +/- 0.93   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  29.10 +/- 1.78   0.000% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  24.64 +/- 1.35   0.000% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 800 (1.55, 7.29, 121.74 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.44, residual support = 107.4:
          QG    LYS+  81 - HN    LYS+  81   2.19 +/- 0.20  99.997% * 98.8833% (0.97   5.44 107.43) = 100.000%  kept
          HD3   LYS+  74 - HN    LYS+  81  13.74 +/- 1.36   0.003% *  0.1285% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  81  19.93 +/- 1.65   0.000% *  0.3478% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+  81  20.95 +/- 1.16   0.000% *  0.3564% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LYS+  81  24.80 +/- 2.24   0.000% *  0.1163% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  23.43 +/- 1.36   0.000% *  0.0839% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  27.85 +/- 2.28   0.000% *  0.0839% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.58, 7.29, 121.74 ppm):
    9 chemical-shift based assignments, quality = 0.368, support = 5.09, residual support = 31.0:
          QD2   LEU   80 - HN    LYS+  81   5.21 +/- 0.75  26.709% * 76.9422% (0.53   5.26  30.99) =  57.400%  kept
          QD1   LEU   80 - HN    LYS+  81   4.18 +/- 0.55  73.081% * 20.8688% (0.15   4.86  30.99) =  42.598%  kept
          QD1   LEU   73 - HN    LYS+  81  12.59 +/- 0.62   0.087% *  0.4988% (0.90   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    LYS+  81  14.45 +/- 0.94   0.038% *  0.1546% (0.28   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LYS+  81  18.71 +/- 1.77   0.010% *  0.4988% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LYS+  81  13.77 +/- 1.50   0.054% *  0.0858% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LYS+  81  20.13 +/- 1.79   0.007% *  0.4645% (0.84   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  81  19.75 +/- 2.23   0.009% *  0.3149% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LYS+  81  20.98 +/- 1.08   0.004% *  0.1716% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.05 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.574, support = 3.18, residual support = 12.8:
          HB2   ASP-  78 - HN    GLU-  79   3.40 +/- 0.38  52.001% * 70.9674% (0.60   3.71  16.03) =  73.170%  kept
          HB2   ASP-  76 - HN    GLU-  79   3.48 +/- 0.58  47.945% * 28.2231% (0.51   1.73   3.91) =  26.830%  kept
          HB2   ASP-  86 - HN    GLU-  79  11.61 +/- 0.49   0.041% *  0.0528% (0.08   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    GLU-  79  14.69 +/- 0.69   0.010% *  0.1603% (0.25   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    GLU-  79  18.41 +/- 1.41   0.002% *  0.2051% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  79  20.51 +/- 2.21   0.001% *  0.1084% (0.17   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    GLU-  79  26.98 +/- 0.60   0.000% *  0.2831% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (2.34, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.0941, support = 3.99, residual support = 54.2:
      O   HB2   GLU-  79 - HN    GLU-  79   2.65 +/- 0.21  99.983% * 98.3341% (0.09  10.0   3.99  54.20) = 100.000%  kept
          HG3   GLU-  25 - HN    GLU-  79  12.87 +/- 1.02   0.009% *  0.4123% (0.39   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  79  13.98 +/- 2.13   0.007% *  0.2857% (0.27   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    GLU-  79  21.11 +/- 1.26   0.000% *  0.5103% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLU-  79  20.24 +/- 1.03   0.001% *  0.2174% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLU-  79  25.35 +/- 1.89   0.000% *  0.1419% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLU-  79  26.09 +/- 1.56   0.000% *  0.0983% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 3.9, residual support = 54.2:
      O   HB3   GLU-  79 - HN    GLU-  79   2.70 +/- 0.32  99.954% * 99.6469% (0.59  10.0   3.90  54.20) = 100.000%  kept
          HB2   GLN   90 - HN    GLU-  79  10.51 +/- 1.03   0.041% *  0.0789% (0.47   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  16.01 +/- 0.72   0.003% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  79  17.36 +/- 0.68   0.002% *  0.0953% (0.56   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  22.74 +/- 0.63   0.000% *  0.1023% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  28.17 +/- 0.54   0.000% *  0.0181% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 819 (2.79, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 3.95, residual support = 38.3:
      O   HB3   ASP-  78 - HN    ASP-  78   2.88 +/- 0.57  99.408% * 99.4250% (0.49  10.0   3.95  38.34) =  99.999%  kept
          QB    CYS   50 - HN    ASP-  78   8.76 +/- 1.35   0.297% *  0.1971% (0.97   1.0   0.02   0.02) =   0.001%
          QE    LYS+  74 - HN    ASP-  78   8.56 +/- 1.06   0.292% *  0.2002% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   PHE   72 - HN    ASP-  78  17.38 +/- 0.45   0.003% *  0.0455% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ASP-  78  27.72 +/- 0.32   0.000% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.978, support = 5.01, residual support = 37.8:
      O   HB2   ASP-  78 - HN    ASP-  78   2.51 +/- 0.46  93.343% * 82.2578% (0.98  10.0   5.01  38.34) =  98.503%  kept
          HB2   ASP-  76 - HN    ASP-  78   4.30 +/- 0.62   6.643% * 17.5679% (0.84   1.0   5.01   2.85) =   1.497%  kept
          HB2   ASP-  86 - HN    ASP-  78  12.24 +/- 0.53   0.011% *  0.0114% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  16.57 +/- 0.59   0.002% *  0.0345% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  19.59 +/- 1.31   0.001% *  0.0442% (0.53   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  78  20.07 +/- 2.10   0.001% *  0.0233% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  27.28 +/- 0.55   0.000% *  0.0609% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 4.6, residual support = 28.5:
      O   HA    THR   77 - HN    ASP-  78   3.51 +/- 0.04  99.745% * 99.9219% (0.92  10.0   4.60  28.51) = 100.000%  kept
          HD2   PRO   93 - HN    ASP-  78  10.77 +/- 1.55   0.189% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ASP-  78  12.04 +/- 0.40   0.062% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HN    ASP-  78  19.40 +/- 0.49   0.004% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 2.39, residual support = 2.85:
          HA    ASP-  76 - HN    ASP-  78   3.57 +/- 0.18  99.999% * 99.6378% (0.95   2.39   2.85) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  78  24.33 +/- 0.99   0.001% *  0.3622% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 823 (3.58, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.03, residual support = 37.8:
      O   HA    THR   77 - HN    THR   77   2.78 +/- 0.04  99.850% * 99.8846% (0.98  10.0   4.03  37.79) = 100.000%  kept
          HD2   PRO   93 - HN    THR   77   9.12 +/- 1.29   0.124% *  0.0577% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    THR   77  11.05 +/- 0.41   0.026% *  0.0577% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.935, support = 3.49, residual support = 15.5:
          HB2   ASP-  76 - HN    THR   77   4.53 +/- 0.23  64.047% * 60.1806% (1.00   3.64  10.79) =  73.212%  kept
          HB2   ASP-  78 - HN    THR   77   5.05 +/- 0.55  35.892% * 39.2930% (0.76   3.10  28.51) =  26.788%  kept
          HB2   ASN   28 - HN    THR   77  15.92 +/- 0.55   0.036% *  0.0581% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    THR   77  18.46 +/- 1.24   0.016% *  0.0827% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    THR   77  25.06 +/- 0.56   0.002% *  0.3200% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    THR   77  22.48 +/- 1.51   0.005% *  0.0656% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.70 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   4.01 +/- 0.28  95.727% * 95.2550% (0.57   3.64  10.79) =  99.983%  kept
          QG    GLN   90 - HN    THR   77   8.41 +/- 1.50   3.025% *  0.3155% (0.34   0.02   0.02) =   0.010%
          HG3   MET   92 - HN    THR   77  10.24 +/- 0.84   0.413% *  0.9250% (1.00   0.02   0.02) =   0.004%
          HB2   ASP-  44 - HN    THR   77   9.25 +/- 0.52   0.717% *  0.1831% (0.20   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    THR   77  16.85 +/- 0.60   0.019% *  0.9067% (0.98   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR   77  14.16 +/- 0.39   0.053% *  0.2572% (0.28   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    THR   77  18.00 +/- 1.54   0.014% *  0.6354% (0.69   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    THR   77  18.77 +/- 1.15   0.011% *  0.7407% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR   77  19.63 +/- 1.92   0.008% *  0.2059% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR   77  19.80 +/- 2.18   0.010% *  0.1252% (0.14   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    THR   77  24.87 +/- 1.44   0.002% *  0.4503% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 826 (1.32, 9.27, 119.07 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 4.03, residual support = 37.8:
          QG2   THR   77 - HN    THR   77   2.07 +/- 0.22  99.858% * 96.0972% (0.61   4.03  37.79) = 100.000%  kept
          HB3   LEU   80 - HN    THR   77   6.71 +/- 0.64   0.113% *  0.3233% (0.41   0.02   0.56) =   0.000%
          QB    ALA   88 - HN    THR   77  10.99 +/- 0.71   0.006% *  0.7438% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    THR   77   8.95 +/- 0.92   0.023% *  0.1751% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   77  19.76 +/- 2.85   0.000% *  0.5087% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   77  17.58 +/- 0.53   0.000% *  0.4452% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   77  16.81 +/- 1.28   0.000% *  0.2427% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   77  23.52 +/- 1.18   0.000% *  0.7052% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   77  26.70 +/- 0.64   0.000% *  0.7589% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 0.896, support = 1.22, residual support = 2.44:
          QB    ALA   47 - HN    THR   77   5.67 +/- 1.61  94.900% * 97.1223% (0.90   1.22   2.44) =  99.934%  kept
          QG1   VAL   42 - HN    THR   77  11.45 +/- 0.53   3.603% *  1.4186% (0.80   0.02   0.02) =   0.055%
          QB    ALA   64 - HN    THR   77  13.61 +/- 0.67   1.309% *  0.6649% (0.38   0.02   0.02) =   0.009%
          HG2   LYS+ 112 - HN    THR   77  18.03 +/- 2.90   0.187% *  0.7943% (0.45   0.02   0.02) =   0.002%
    Distance limit 4.26 A violated in 14 structures by 1.53 A, kept.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.27, residual support = 84.5:
      O   HA    VAL   75 - HN    VAL   75   2.93 +/- 0.01  99.936% * 99.8428% (0.97  10.0   5.27  84.47) = 100.000%  kept
          HA    ALA   61 - HN    VAL   75  10.59 +/- 0.70   0.049% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    VAL   75  13.32 +/- 0.74   0.012% *  0.1014% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   75  17.41 +/- 1.46   0.003% *  0.0205% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.985, residual support = 0.984:
          HB2   ASP-  44 - HN    VAL   75   4.35 +/- 0.43  96.908% * 89.8635% (0.87   0.99   0.98) =  99.946%  kept
          HB3   PHE   72 - HN    VAL   75   8.37 +/- 0.40   2.374% *  1.6070% (0.76   0.02   0.02) =   0.044%
          QG    GLN   90 - HN    VAL   75  12.47 +/- 1.38   0.243% *  1.4444% (0.69   0.02   0.02) =   0.004%
          QG    GLU-  15 - HN    VAL   75  14.78 +/- 2.12   0.098% *  1.9891% (0.95   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    VAL   75  15.11 +/- 1.79   0.089% *  1.7564% (0.84   0.02   0.02) =   0.002%
          HG2   MET   92 - HN    VAL   75  12.77 +/- 1.13   0.180% *  0.3683% (0.18   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    VAL   75  14.68 +/- 1.51   0.089% *  0.7173% (0.34   0.02   0.02) =   0.001%
          QB    MET   11 - HN    VAL   75  21.77 +/- 3.05   0.011% *  1.8858% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    VAL   75  21.18 +/- 0.79   0.008% *  0.3683% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.13 A, kept.
 
    Peak 830 (1.43, 8.53, 128.95 ppm):
    14 chemical-shift based assignments, quality = 0.21, support = 4.19, residual support = 30.3:
          HB3   LYS+  74 - HN    VAL   75   4.20 +/- 0.19  87.447% * 48.5603% (0.20   4.28  31.08) =  97.554%  kept
          HG    LEU   73 - HN    VAL   75   7.78 +/- 0.34   2.304% * 43.0231% (0.76   0.98   0.10) =   2.277%  kept
          HG    LEU   80 - HN    VAL   75   7.41 +/- 0.86   4.047% *  0.9957% (0.87   0.02   0.54) =   0.093%
          HB2   LEU   80 - HN    VAL   75   7.13 +/- 0.77   4.583% *  0.3915% (0.34   0.02   0.54) =   0.041%
          QB    ALA   61 - HN    VAL   75   9.47 +/- 0.93   0.801% *  1.1251% (0.98   0.02   0.02) =   0.021%
          HG12  ILE   19 - HN    VAL   75  10.55 +/- 0.87   0.425% *  0.8772% (0.76   0.02   0.02) =   0.009%
          QB    ALA  110 - HN    VAL   75  13.91 +/- 2.66   0.145% *  0.9587% (0.84   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    VAL   75  15.87 +/- 1.42   0.036% *  1.1453% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    VAL   75  16.44 +/- 1.24   0.030% *  1.0596% (0.92   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    VAL   75  14.17 +/- 1.17   0.074% *  0.3191% (0.28   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    VAL   75  14.38 +/- 0.78   0.059% *  0.3191% (0.28   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    VAL   75  16.18 +/- 1.43   0.032% *  0.2272% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    VAL   75  19.99 +/- 1.47   0.009% *  0.7425% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   75  19.98 +/- 2.12   0.010% *  0.2555% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 831 (1.26, 8.53, 128.95 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 5.54, residual support = 31.1:
          HG2   LYS+  74 - HN    VAL   75   2.95 +/- 0.64  98.906% * 95.1045% (0.45   5.54  31.08) =  99.995%  kept
          QG2   ILE   56 - HN    VAL   75  10.22 +/- 1.95   0.297% *  0.6645% (0.87   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    VAL   75   8.55 +/- 1.12   0.465% *  0.2613% (0.34   0.02   0.02) =   0.001%
          QB    ALA   91 - HN    VAL   75  10.42 +/- 1.11   0.118% *  0.7393% (0.97   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    VAL   75  10.38 +/- 0.74   0.120% *  0.5262% (0.69   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    VAL   75  12.19 +/- 0.32   0.036% *  0.5262% (0.69   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    VAL   75  13.68 +/- 0.54   0.019% *  0.7393% (0.97   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    VAL   75  12.67 +/- 0.95   0.036% *  0.3149% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    VAL   75  19.43 +/- 1.01   0.003% *  0.3729% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    VAL   75  22.44 +/- 0.94   0.001% *  0.7509% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 0.94, support = 4.53, residual support = 83.8:
      O   HB    VAL   75 - HN    VAL   75   2.75 +/- 0.42  92.119% * 86.2866% (0.95  10.0   4.51  84.47) =  98.691%  kept
          HG3   LYS+  74 - HN    VAL   75   4.35 +/- 0.41   7.810% * 13.4994% (0.49   1.0   6.08  31.08) =   1.309%  kept
          QD1   LEU   67 - HN    VAL   75  12.48 +/- 1.34   0.021% *  0.0662% (0.73   1.0   0.02   0.02) =   0.000%
          QD2   LEU   40 - HN    VAL   75  12.61 +/- 0.77   0.013% *  0.0697% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    VAL   75  13.10 +/- 0.79   0.011% *  0.0553% (0.61   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    VAL   75  12.03 +/- 1.41   0.026% *  0.0227% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.7, support = 0.497, residual support = 1.66:
          QG2   THR   46 - HN    VAL   75   3.88 +/- 0.82  74.228% * 23.4856% (0.69   0.44   2.01) =  82.127%  kept
          QG1   VAL   43 - HN    VAL   75   6.17 +/- 1.09  13.152% * 17.6905% (0.97   0.24   0.02) =  10.961%  kept
          QD2   LEU   73 - HN    VAL   75   7.12 +/- 0.27   2.502% * 53.9901% (0.41   1.70   0.10) =   6.363%  kept
          QG2   VAL   18 - HN    VAL   75   6.52 +/- 1.23   8.678% *  1.2381% (0.80   0.02   0.02) =   0.506%  kept
          QD1   ILE   19 - HN    VAL   75   9.33 +/- 0.95   0.828% *  0.5274% (0.34   0.02   0.02) =   0.021%
          QG1   VAL   41 - HN    VAL   75  11.27 +/- 0.72   0.185% *  1.5428% (1.00   0.02   0.02) =   0.013%
          HG    LEU   31 - HN    VAL   75  12.07 +/- 0.60   0.112% *  0.8754% (0.57   0.02   0.02) =   0.005%
          QD1   ILE   56 - HN    VAL   75  11.23 +/- 1.45   0.292% *  0.3060% (0.20   0.02   0.02) =   0.004%
          QD2   LEU  104 - HN    VAL   75  15.84 +/- 0.88   0.023% *  0.3442% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.02 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 834 (0.45, 8.53, 128.95 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 84.5:
          QG1   VAL   75 - HN    VAL   75   3.53 +/- 0.24  99.896% * 99.6866% (0.92   5.27  84.47) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   75  12.15 +/- 1.65   0.104% *  0.3134% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 5.13, residual support = 84.5:
          QG2   VAL   75 - HN    VAL   75   3.01 +/- 0.66  99.017% * 99.5297% (0.49   5.13  84.47) =  99.998%  kept
          QD1   ILE   89 - HN    VAL   75   8.62 +/- 1.74   0.724% *  0.1986% (0.25   0.02   0.02) =   0.001%
          QG2   VAL   42 - HN    VAL   75   9.20 +/- 0.60   0.259% *  0.2717% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.80 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 = 0.697, support = 4.39, residual support = 185.1:
      O   HB3   LYS+  74 - HN    LYS+  74   2.57 +/- 0.24  71.055% * 95.3974% (0.71  10.0   4.38 187.57) =  98.344%  kept
          HB3   LEU   73 - HN    LYS+  74   3.19 +/- 0.54  28.465% *  4.0089% (0.11   1.0   5.44  40.69) =   1.656%  kept
          HG12  ILE   19 - HN    LYS+  74   6.85 +/- 0.87   0.269% *  0.0580% (0.43   1.0   0.02   8.27) =   0.000%
          HB2   LEU   80 - HN    LYS+  74   9.22 +/- 0.65   0.036% *  0.0923% (0.68   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  74   8.93 +/- 0.72   0.044% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  74   9.42 +/- 1.14   0.041% *  0.0295% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  74   8.70 +/- 0.58   0.054% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  74  11.67 +/- 1.08   0.009% *  0.0829% (0.61   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  74  14.28 +/- 2.52   0.005% *  0.0580% (0.43   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  12.05 +/- 1.45   0.010% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  74  13.77 +/- 1.34   0.004% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  16.70 +/- 2.66   0.002% *  0.0503% (0.37   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  74  14.07 +/- 1.68   0.004% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+  74  20.68 +/- 2.21   0.000% *  0.0956% (0.71   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 5.64, residual support = 40.7:
          QD2   LEU   73 - HN    LYS+  74   3.93 +/- 0.25  99.514% * 97.1984% (0.20   5.64  40.69) =  99.998%  kept
          HG    LEU   31 - HN    LYS+  74  10.34 +/- 0.96   0.378% *  0.2172% (0.12   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LYS+  74  13.39 +/- 1.15   0.074% *  0.6526% (0.37   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    LYS+  74  17.73 +/- 2.48   0.030% *  0.7023% (0.40   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  74  20.98 +/- 1.82   0.005% *  1.2295% (0.70   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.22 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.636, support = 5.64, residual support = 40.7:
          HB2   LEU   73 - HN    LYS+  74   3.19 +/- 0.42  99.908% * 97.9382% (0.64   5.64  40.69) = 100.000%  kept
          QG1   ILE   56 - HN    LYS+  74  13.48 +/- 1.09   0.032% *  0.2191% (0.40   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LYS+  74  15.95 +/- 1.41   0.009% *  0.3835% (0.70   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LYS+  74  16.40 +/- 0.93   0.007% *  0.3861% (0.71   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+  74  14.55 +/- 1.60   0.021% *  0.1320% (0.24   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+  74  16.20 +/- 0.93   0.008% *  0.2957% (0.54   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LYS+  74  16.88 +/- 0.89   0.007% *  0.1735% (0.32   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+  74  18.44 +/- 1.00   0.004% *  0.0766% (0.14   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LYS+  74  21.08 +/- 2.79   0.002% *  0.1452% (0.27   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+  74  23.65 +/- 2.35   0.001% *  0.2503% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.491, support = 0.02, residual support = 0.02:
          HB2   LEU   71 - HN    LYS+  74   8.94 +/- 0.49  60.270% *  5.8297% (0.27   0.02   0.02) =  40.158%  kept
          HB    VAL   41 - HN    LYS+  74  10.86 +/- 0.96  20.287% * 15.4986% (0.71   0.02   0.02) =  35.937%  kept
          QB    LYS+  66 - HN    LYS+  74  14.41 +/- 0.83   3.742% * 14.9905% (0.68   0.02   0.02) =   6.412%  kept
          HG12  ILE  103 - HN    LYS+  74  15.02 +/- 1.13   2.901% * 14.6936% (0.67   0.02   0.02) =   4.872%  kept
          QB    LYS+  65 - HN    LYS+  74  12.99 +/- 0.55   6.611% *  6.3858% (0.29   0.02   0.02) =   4.825%  kept
          HG2   PRO   93 - HN    LYS+  74  14.87 +/- 1.46   3.547% * 11.8708% (0.54   0.02   0.02) =   4.813%  kept
          HB3   PRO   52 - HN    LYS+  74  18.50 +/- 1.21   0.882% * 11.2793% (0.51   0.02   0.02) =   1.137%  kept
          QB    LYS+ 102 - HN    LYS+  74  17.30 +/- 0.89   1.188% *  8.1723% (0.37   0.02   0.02) =   1.110%  kept
          HG    LEU  123 - HN    LYS+  74  20.61 +/- 2.45   0.572% * 11.2793% (0.51   0.02   0.02) =   0.737%  kept
    Distance limit 4.47 A violated in 20 structures by 3.74 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.775, support = 4.8, residual support = 37.5:
          HB3   PHE   72 - HN    LEU   73   3.53 +/- 0.19  78.727% * 69.0173% (0.76   5.12  40.99) =  89.818%  kept
          HB2   ASP-  44 - HN    LEU   73   4.66 +/- 0.74  20.837% * 29.5529% (0.87   1.93   7.11) =  10.180%  kept
          QG    GLU-  15 - HN    LEU   73  10.66 +/- 2.10   0.281% *  0.3334% (0.95   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    LEU   73  12.38 +/- 1.92   0.068% *  0.2944% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    LEU   73  12.50 +/- 1.83   0.056% *  0.1202% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - HN    LEU   73  18.70 +/- 2.54   0.007% *  0.3161% (0.90   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LEU   73  16.79 +/- 1.06   0.008% *  0.2421% (0.69   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   73  16.36 +/- 1.03   0.009% *  0.0617% (0.18   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   73  17.13 +/- 1.37   0.007% *  0.0617% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (1.69, 8.95, 120.59 ppm):
    11 chemical-shift based assignments, quality = 0.991, support = 6.19, residual support = 171.5:
      O   HB2   LEU   73 - HN    LEU   73   3.31 +/- 0.47  99.740% * 99.3783% (0.99  10.0   6.19 171.48) = 100.000%  kept
          QD    LYS+  99 - HN    LEU   73  12.88 +/- 0.90   0.044% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LEU   73  13.35 +/- 1.20   0.038% *  0.0899% (0.90   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    LEU   73  11.87 +/- 1.21   0.074% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU   73  14.53 +/- 1.54   0.021% *  0.0689% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU   73  15.92 +/- 1.06   0.011% *  0.0994% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LEU   73  17.23 +/- 3.25   0.009% *  0.0728% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LEU   73  13.05 +/- 0.76   0.036% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU   73  16.02 +/- 0.95   0.010% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU   73  21.44 +/- 2.30   0.004% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  15.63 +/- 0.70   0.012% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.419, support = 6.13, residual support = 161.2:
      O   HB3   LEU   73 - HN    LEU   73   3.36 +/- 0.52  74.410% * 63.4565% (0.41  10.0   6.31 171.48) =  93.765%  kept
          HB    VAL   42 - HN    LEU   73   4.34 +/- 0.60  20.939% * 12.8911% (0.49   1.0   3.43   1.55) =   5.360%  kept
          HB3   LYS+  74 - HN    LEU   73   6.39 +/- 0.29   1.934% * 22.7106% (0.87   1.0   3.39  40.69) =   0.872%  kept
          HG12  ILE   19 - HN    LEU   73   7.30 +/- 1.81   2.113% *  0.0429% (0.28   1.0   0.02   4.00) =   0.002%
          QB    LEU   98 - HN    LEU   73   8.96 +/- 0.87   0.297% *  0.1540% (1.00   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    LEU   73  11.28 +/- 0.93   0.072% *  0.0874% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   73  11.78 +/- 0.64   0.053% *  0.1060% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   73  14.87 +/- 2.09   0.022% *  0.1425% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   73  12.46 +/- 1.24   0.040% *  0.0751% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   73  11.48 +/- 0.71   0.063% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   73  16.74 +/- 2.38   0.008% *  0.1289% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   73  13.54 +/- 0.83   0.024% *  0.0344% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   73  15.38 +/- 2.48   0.018% *  0.0344% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   73  17.06 +/- 1.15   0.006% *  0.0579% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   73  18.87 +/- 1.43   0.003% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.97, support = 7.95, residual support = 168.8:
          QD2   LEU   73 - HN    LEU   73   3.04 +/- 0.38  86.538% * 83.0576% (0.98   8.02 171.48) =  98.386%  kept
          QG1   VAL   43 - HN    LEU   73   4.94 +/- 0.68   7.194% * 16.3478% (0.38   4.12   8.35) =   1.610%  kept
          QG2   VAL   18 - HN    LEU   73   5.63 +/- 0.86   5.500% *  0.0418% (0.20   0.02   0.02) =   0.003%
          QG1   VAL   41 - HN    LEU   73   7.45 +/- 0.77   0.622% *  0.1197% (0.57   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LEU   73   9.66 +/- 0.80   0.107% *  0.2110% (1.00   0.02   3.24) =   0.000%
          QD1   ILE   56 - HN    LEU   73  12.06 +/- 1.11   0.034% *  0.1693% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   73  16.93 +/- 1.98   0.005% *  0.0527% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (0.57, 8.95, 120.59 ppm):
    8 chemical-shift based assignments, quality = 0.566, support = 6.15, residual support = 170.4:
          QD1   LEU   73 - HN    LEU   73   3.90 +/- 0.50  79.625% * 93.8183% (0.57   6.19 171.48) =  99.372%  kept
          QG2   VAL   41 - HN    LEU   73   6.02 +/- 0.88   9.378% *  4.6505% (0.61   0.29   0.02) =   0.580%  kept
          QD2   LEU   63 - HN    LEU   73   8.14 +/- 1.94   2.742% *  0.5353% (1.00   0.02   0.02) =   0.020%
          QD1   LEU   63 - HN    LEU   73   7.67 +/- 1.73   4.676% *  0.3031% (0.57   0.02   0.02) =   0.019%
          QD2   LEU   98 - HN    LEU   73   7.78 +/- 1.03   2.040% *  0.2201% (0.41   0.02   0.02) =   0.006%
          QD2   LEU   80 - HN    LEU   73   8.71 +/- 1.02   0.914% *  0.1192% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    LEU   73   9.72 +/- 0.81   0.420% *  0.2201% (0.41   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   73  11.52 +/- 2.03   0.204% *  0.1335% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 845 (0.39, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.473, support = 1.0, residual support = 1.43:
          QG1   VAL   42 - HN    LEU   73   2.80 +/- 0.68  97.040% * 23.8515% (0.45   0.92   1.55) =  91.285%  kept
          QB    ALA   64 - HN    LEU   73   5.71 +/- 0.38   2.934% * 75.2950% (0.73   1.80   0.13) =   8.714%  kept
          QB    ALA   47 - HN    LEU   73  13.16 +/- 0.66   0.023% *  0.6519% (0.57   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HN    LEU   73  17.63 +/- 1.82   0.003% *  0.2017% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.248, support = 1.95, residual support = 8.3:
          QG2   VAL   43 - HN    LEU   73   4.41 +/- 0.81  88.074% * 91.8409% (0.25   1.96   8.35) =  99.480%  kept
          QD2   LEU   31 - HN    LEU   73   7.03 +/- 0.97  10.199% *  3.7522% (1.00   0.02   3.24) =   0.471%
          QG2   VAL   83 - HN    LEU   73   9.59 +/- 0.48   1.079% *  2.7247% (0.73   0.02   0.02) =   0.036%
          QD1   ILE   89 - HN    LEU   73  11.18 +/- 1.57   0.649% *  1.6822% (0.45   0.02   0.02) =   0.013%
    Distance limit 4.47 A violated in 4 structures by 0.31 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.04, residual support = 90.9:
      O   HB2   PHE   72 - HN    PHE   72   2.39 +/- 0.23  99.219% * 99.7503% (0.53  10.0   5.04  90.91) =  99.999%  kept
          HA    ALA   64 - HN    PHE   72   5.72 +/- 0.49   0.755% *  0.1830% (0.97   1.0   0.02  37.84) =   0.001%
          HB3   ASN   69 - HN    PHE   72   9.87 +/- 0.26   0.023% *  0.0293% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    PHE   72  14.38 +/- 1.08   0.003% *  0.0375% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 848 (2.28, 9.36, 127.59 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.31, residual support = 90.9:
      O   HB3   PHE   72 - HN    PHE   72   3.51 +/- 0.08  94.192% * 99.3598% (0.76  10.0   5.31  90.91) =  99.993%  kept
          QG    GLU-  15 - HN    PHE   72   7.44 +/- 2.12   4.619% *  0.1230% (0.95   1.0   0.02   0.02) =   0.006%
          HB2   ASP-  44 - HN    PHE   72   8.43 +/- 0.73   0.549% *  0.1128% (0.87   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    PHE   72  10.03 +/- 2.17   0.547% *  0.1086% (0.84   1.0   0.02   0.02) =   0.001%
          QB    MET   11 - HN    PHE   72  15.97 +/- 2.27   0.020% *  0.1166% (0.90   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    PHE   72  13.56 +/- 1.72   0.035% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  13.98 +/- 1.49   0.033% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   72  20.64 +/- 1.07   0.002% *  0.0893% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  21.17 +/- 1.41   0.002% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.24, 9.36, 127.59 ppm):
    10 chemical-shift based assignments, quality = 0.985, support = 3.93, residual support = 19.2:
          HG    LEU   71 - HN    PHE   72   4.68 +/- 0.77  43.210% * 90.8315% (0.99   4.13  20.20) =  94.933%  kept
          HG13  ILE   19 - HN    PHE   72   5.48 +/- 2.10  39.593% *  3.7937% (0.95   0.18   0.02) =   3.633%  kept
          QG2   THR   39 - HN    PHE   72   5.76 +/- 0.59  16.378% *  3.6004% (0.65   0.25   0.02) =   1.426%  kept
          HG2   LYS+  74 - HN    PHE   72  10.13 +/- 1.08   0.574% *  0.4432% (1.00   0.02   0.02) =   0.006%
          HG3   LYS+  99 - HN    PHE   72  13.67 +/- 1.33   0.079% *  0.4442% (1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    PHE   72  13.69 +/- 1.41   0.092% *  0.0989% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    PHE   72  15.04 +/- 0.73   0.042% *  0.1667% (0.38   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    PHE   72  17.88 +/- 0.86   0.015% *  0.2873% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    PHE   72  18.68 +/- 1.15   0.012% *  0.1826% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    PHE   72  23.15 +/- 2.61   0.005% *  0.1515% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.12 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.955, support = 5.4, residual support = 20.4:
          QD2   LEU   71 - HN    PHE   72   3.22 +/- 0.35  83.045% * 91.4127% (0.97   5.46  20.20) =  98.410%  kept
          QD1   LEU   67 - HN    PHE   72   6.06 +/- 2.04  16.378% *  7.4849% (0.31   1.40  34.55) =   1.589%  kept
          QD2   LEU   40 - HN    PHE   72   8.34 +/- 0.55   0.349% *  0.0964% (0.28   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    PHE   72  11.32 +/- 2.40   0.095% *  0.3348% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    PHE   72  10.50 +/- 0.87   0.097% *  0.1825% (0.53   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    PHE   72  13.45 +/- 0.60   0.018% *  0.3461% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    PHE   72  13.54 +/- 0.56   0.018% *  0.1426% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 851 (4.02, 9.36, 127.59 ppm):
    8 chemical-shift based assignments, quality = 0.554, support = 1.49, residual support = 23.8:
          HA    VAL   70 - HN    PHE   72   5.82 +/- 0.16  25.866% * 69.2320% (0.80   1.48  42.46) =  50.014%  kept
          HA    VAL   18 - HN    PHE   72   4.89 +/- 0.69  66.205% * 26.9540% (0.31   1.50   5.16) =  49.839%  kept
          HA1   GLY   16 - HN    PHE   72   7.86 +/- 1.66   5.958% *  0.6134% (0.53   0.02   0.02) =   0.102%
          HB2   SER   37 - HN    PHE   72  10.18 +/- 0.86   1.111% *  1.0113% (0.87   0.02   0.02) =   0.031%
          HA    LYS+  33 - HN    PHE   72  11.49 +/- 1.29   0.578% *  0.5675% (0.49   0.02   0.02) =   0.009%
          HA    GLU-  29 - HN    PHE   72  13.47 +/- 1.12   0.197% *  0.3977% (0.34   0.02   0.02) =   0.002%
          HA    GLN  116 - HN    PHE   72  16.53 +/- 2.09   0.073% *  0.9335% (0.80   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    PHE   72  20.72 +/- 1.03   0.013% *  0.2907% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.10 A, kept.
 
    Peak 852 (2.20, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 6.24, residual support = 33.0:
          HB    VAL   70 - HN    LEU   71   4.12 +/- 0.17  98.153% * 98.9295% (0.98   6.24  32.99) =  99.997%  kept
          QG    GLN   17 - HN    LEU   71  11.25 +/- 1.35   0.357% *  0.3225% (1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    LEU   71  10.32 +/- 0.87   0.472% *  0.2091% (0.65   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    LEU   71  10.53 +/- 1.64   0.603% *  0.0720% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   71  10.55 +/- 0.66   0.389% *  0.0899% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LEU   71  18.06 +/- 0.83   0.015% *  0.3204% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LEU   71  19.13 +/- 0.53   0.010% *  0.0566% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 853 (1.81, 8.15, 128.27 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 6.33, residual support = 138.0:
      O   HB2   LEU   71 - HN    LEU   71   2.70 +/- 0.28  99.305% * 99.5111% (0.98  10.0   6.33 137.99) = 100.000%  kept
          HB    VAL   41 - HN    LEU   71   6.70 +/- 0.52   0.544% *  0.0455% (0.45   1.0   0.02   4.48) =   0.000%
          QB    LYS+  66 - HN    LEU   71  10.01 +/- 1.10   0.093% *  0.0657% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU   71  11.60 +/- 0.26   0.018% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   71  12.67 +/- 1.07   0.012% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   71  12.62 +/- 1.25   0.013% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   71  12.68 +/- 0.98   0.013% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   71  19.62 +/- 1.56   0.001% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.961, support = 5.41, residual support = 126.1:
          HG    LEU   71 - HN    LEU   71   4.27 +/- 0.53  20.850% * 95.9699% (0.99   5.90 137.99) =  91.339%  kept
          QG2   THR   39 - HN    LEU   71   3.19 +/- 0.44  78.683% *  2.4095% (0.65   0.23   0.23) =   8.654%  kept
          HG3   LYS+  99 - HN    LEU   71   9.45 +/- 1.38   0.200% *  0.3280% (1.00   0.02   0.02) =   0.003%
          HG13  ILE   19 - HN    LEU   71   9.64 +/- 2.18   0.199% *  0.3103% (0.95   0.02   0.02) =   0.003%
          HG2   LYS+  74 - HN    LEU   71  13.37 +/- 0.91   0.019% *  0.3273% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   71  11.59 +/- 0.72   0.034% *  0.1231% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   71  14.82 +/- 1.40   0.010% *  0.0730% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   71  18.76 +/- 1.30   0.002% *  0.2122% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    LEU   71  18.94 +/- 1.48   0.002% *  0.1348% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    LEU   71  23.06 +/- 2.67   0.001% *  0.1119% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.06 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.91, support = 6.0, residual support = 84.2:
          QG1   VAL   70 - HN    LEU   71   3.91 +/- 0.28  46.774% * 53.2644% (0.98   5.95  32.99) =  51.262%  kept
          QD1   LEU   71 - HN    LEU   71   3.82 +/- 0.76  51.320% * 46.1502% (0.84   6.05 137.99) =  48.732%  kept
          QG1   VAL   18 - HN    LEU   71   8.40 +/- 0.90   0.622% *  0.1825% (1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    LEU   71   9.21 +/- 1.67   0.857% *  0.1254% (0.69   0.02   0.02) =   0.002%
          QD1   LEU  123 - HN    LEU   71  11.94 +/- 3.24   0.311% *  0.1525% (0.84   0.02   0.02) =   0.001%
          HB3   LEU  104 - HN    LEU   71  11.20 +/- 0.88   0.109% *  0.0889% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   71  17.03 +/- 1.21   0.008% *  0.0361% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 857 (0.19, 8.15, 128.27 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 6.45, residual support = 33.0:
          QG2   VAL   70 - HN    LEU   71   2.32 +/- 0.21 100.000% *100.0000% (0.73   6.45  32.99) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 81.5:
      O   HB    VAL   70 - HN    VAL   70   2.58 +/- 0.27  99.908% * 99.6297% (0.76  10.0   4.31  81.45) = 100.000%  kept
          QG    GLN   17 - HN    VAL   70  10.11 +/- 1.40   0.073% *  0.1089% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   70  12.21 +/- 1.20   0.012% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   70  13.86 +/- 0.83   0.005% *  0.0445% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   70  21.41 +/- 1.05   0.000% *  0.1203% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  19.62 +/- 1.32   0.001% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.749, support = 0.446, residual support = 3.06:
          HB3   LEU   67 - HN    VAL   70   3.94 +/- 0.87  77.904% * 11.3067% (0.87   0.24   0.38) =  64.163%  kept
          HG    LEU   67 - HN    VAL   70   5.59 +/- 0.90  15.799% * 22.2494% (0.49   0.83   0.38) =  25.605%  kept
          HG    LEU   40 - HN    VAL   70   7.22 +/- 0.76   3.187% * 32.5714% (0.61   0.98  35.97) =   7.561%  kept
          QG    LYS+  66 - HN    VAL   70   8.54 +/- 0.98   1.822% * 16.8834% (0.98   0.31   0.02) =   2.241%  kept
          HG    LEU   73 - HN    VAL   70  10.17 +/- 0.90   0.419% * 12.9193% (0.99   0.24   0.02) =   0.394%
          HG12  ILE   19 - HN    VAL   70  10.66 +/- 2.37   0.560% *  0.4519% (0.41   0.02   0.02) =   0.018%
          QB    ALA   61 - HN    VAL   70  10.85 +/- 0.51   0.237% *  0.7982% (0.73   0.02   0.02) =   0.014%
          HB3   LEU  115 - HN    VAL   70  16.08 +/- 1.96   0.040% *  0.6667% (0.61   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    VAL   70  18.35 +/- 1.63   0.010% *  1.0398% (0.95   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    VAL   70  18.90 +/- 2.56   0.018% *  0.5350% (0.49   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    VAL   70  20.50 +/- 0.77   0.005% *  0.5783% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.06 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.924, support = 4.82, residual support = 80.8:
          QG1   VAL   70 - HN    VAL   70   2.56 +/- 0.38  97.881% * 53.2852% (0.92   4.83  81.45) =  98.610%  kept
          QD1   LEU   71 - HN    VAL   70   6.43 +/- 1.22   1.597% * 45.9952% (1.00   3.85  32.99) =   1.388%  kept
          QD1   LEU  123 - HN    VAL   70  10.05 +/- 3.18   0.115% *  0.2389% (1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HN    VAL   70   8.02 +/- 1.67   0.320% *  0.0815% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    VAL   70   9.26 +/- 0.95   0.081% *  0.1996% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    VAL   70  13.35 +/- 1.06   0.007% *  0.1996% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.18, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.89, residual support = 81.5:
          QG2   VAL   70 - HN    VAL   70   3.75 +/- 0.11 100.000% *100.0000% (0.98   3.89  81.45) = 100.000%  kept
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (2.90, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.55, support = 2.99, residual support = 59.6:
      O   HB2   ASN   69 - HD22  ASN   69   3.69 +/- 0.24  99.612% * 99.7633% (0.55  10.0   2.99  59.58) = 100.000%  kept
          QE    LYS+  66 - HD22  ASN   69  11.38 +/- 1.56   0.196% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD22  ASN   69  12.75 +/- 2.59   0.186% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD22  ASN   69  24.15 +/- 0.97   0.001% *  0.1018% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  21.01 +/- 1.41   0.003% *  0.0157% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   69  28.55 +/- 1.01   0.000% *  0.0739% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (0.86, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.56, support = 3.25, residual support = 25.8:
          QG1   VAL   70 - HD22  ASN   69   3.70 +/- 1.46  84.120% * 92.0185% (0.56   3.29  26.13) =  98.789%  kept
          QD1   LEU   71 - HD22  ASN   69   8.15 +/- 2.09  15.116% *  6.2527% (0.53   0.24   0.02) =   1.206%  kept
          QD1   LEU  123 - HD22  ASN   69  10.66 +/- 4.07   0.442% *  0.5303% (0.53   0.02   0.02) =   0.003%
          HB3   LEU  104 - HD22  ASN   69  11.79 +/- 1.94   0.134% *  0.3626% (0.36   0.02   0.02) =   0.001%
          QG1   VAL   18 - HD22  ASN   69  12.69 +/- 1.22   0.078% *  0.5410% (0.54   0.02   0.02) =   0.001%
          HB3   LEU   63 - HD22  ASN   69  11.09 +/- 2.17   0.109% *  0.2949% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.02 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.96, residual support = 2.96:
          HA    LEU   67 - HN    ASN   69   3.77 +/- 0.70 100.000% *100.0000% (0.92   2.96   2.96) = 100.000%  kept
    Distance limit 4.61 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 = 31.6:
          HD2   PRO   68 - HN    ASN   69   3.08 +/- 0.47  99.935% * 99.1839% (0.80   5.97  31.56) = 100.000%  kept
          HA    ALA   61 - HN    ASN   69  12.15 +/- 0.92   0.059% *  0.3922% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASN   69  18.68 +/- 1.35   0.004% *  0.2682% (0.65   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ASN   69  19.63 +/- 0.72   0.002% *  0.1556% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 31.6:
          HD3   PRO   68 - HN    ASN   69   3.60 +/- 0.69  99.966% * 98.4652% (0.99   5.97  31.56) = 100.000%  kept
          HB2   PHE   59 - HN    ASN   69  16.03 +/- 1.66   0.024% *  0.2541% (0.76   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASN   69  21.15 +/- 1.47   0.004% *  0.3209% (0.97   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASN   69  22.61 +/- 1.62   0.003% *  0.3209% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASN   69  24.39 +/- 1.79   0.002% *  0.3318% (1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASN   69  25.59 +/- 1.99   0.001% *  0.3070% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.64 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 = 0.581, support = 0.02, residual support = 0.02:
          HA    ALA   64 - HN    ASN   69   7.10 +/- 0.83  74.979% * 14.1837% (0.31   0.02   0.02) =  51.523%  kept
          QE    LYS+  66 - HN    ASN   69   8.90 +/- 1.22  24.498% * 39.8620% (0.87   0.02   0.02) =  47.312%  kept
          HB3   ASN   35 - HN    ASN   69  17.05 +/- 1.23   0.523% * 45.9543% (1.00   0.02   0.02) =   1.165%  kept
    Distance limit 3.84 A violated in 20 structures by 2.89 A, eliminated.
    Peak unassigned.
 
    Peak 868 (2.17, 8.82, 114.58 ppm):
    9 chemical-shift based assignments, quality = 0.154, support = 3.84, residual support = 26.1:
          HB    VAL   70 - HN    ASN   69   4.42 +/- 0.36  98.915% * 89.1826% (0.15   3.84  26.13) =  99.985%  kept
          HB2   LYS+  38 - HN    ASN   69  12.57 +/- 1.53   0.269% *  2.9816% (0.99   0.02   0.02) =   0.009%
          QG    GLN   17 - HN    ASN   69  11.00 +/- 1.22   0.678% *  0.5953% (0.20   0.02   0.02) =   0.005%
          QB    GLU-  36 - HN    ASN   69  14.36 +/- 1.30   0.105% *  0.5268% (0.18   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    ASN   69  19.35 +/- 1.13   0.016% *  1.2367% (0.41   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ASN   69  21.63 +/- 1.30   0.008% *  2.4088% (0.80   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ASN   69  23.60 +/- 1.19   0.005% *  0.8364% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   69  30.19 +/- 1.11   0.001% *  1.8246% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ASN   69  25.19 +/- 0.78   0.003% *  0.4071% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.07 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.935, support = 6.04, residual support = 31.6:
      O   HB3   PRO   68 - HN    ASN   69   4.02 +/- 0.49  36.798% * 95.4467% (0.99  10.0   6.04  31.56) =  93.476%  kept
          HG2   PRO   68 - HN    ASN   69   3.61 +/- 1.27  62.311% *  3.9329% (0.14   1.0   6.04  31.56) =   6.522%  kept
          QB    GLU-  15 - HN    ASN   69   8.46 +/- 1.50   0.622% *  0.0699% (0.73   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ASN   69  12.84 +/- 1.32   0.067% *  0.0699% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ASN   69  14.14 +/- 2.59   0.050% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASN   69  15.07 +/- 1.29   0.027% *  0.0835% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASN   69  14.40 +/- 1.12   0.033% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASN   69  13.42 +/- 1.45   0.055% *  0.0169% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASN   69  16.00 +/- 1.72   0.012% *  0.0623% (0.65   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASN   69  18.44 +/- 2.25   0.015% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASN   69  23.47 +/- 3.04   0.003% *  0.0771% (0.80   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  22.01 +/- 2.13   0.004% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASN   69  24.38 +/- 1.14   0.001% *  0.0507% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASN   69  24.85 +/- 1.47   0.001% *  0.0268% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 870 (1.88, 8.82, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.375, support = 5.49, residual support = 31.6:
          HG3   PRO   68 - HN    ASN   69   3.88 +/- 0.41  99.532% * 92.7613% (0.38   5.49  31.56) =  99.997%  kept
          HB3   LYS+  38 - HN    ASN   69  12.22 +/- 1.50   0.153% *  0.8512% (0.95   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASN   69  12.16 +/- 1.39   0.165% *  0.5458% (0.61   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ASN   69  15.22 +/- 1.40   0.046% *  0.7205% (0.80   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASN   69  14.67 +/- 1.29   0.044% *  0.4380% (0.49   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASN   69  16.60 +/- 1.46   0.022% *  0.7205% (0.80   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASN   69  19.89 +/- 1.78   0.010% *  0.8979% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASN   69  17.86 +/- 1.18   0.015% *  0.4034% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASN   69  19.40 +/- 0.98   0.007% *  0.3699% (0.41   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASN   69  24.27 +/- 1.56   0.002% *  0.4034% (0.45   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASN   69  26.03 +/- 1.62   0.002% *  0.5821% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASN   69  26.80 +/- 0.73   0.001% *  0.6877% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASN   69  29.84 +/- 1.10   0.001% *  0.6181% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.07 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 4.46, residual support = 26.1:
          QG1   VAL   70 - HN    ASN   69   3.55 +/- 0.71  95.570% * 97.9082% (0.73   4.46  26.13) =  99.983%  kept
          QD1   LEU   71 - HN    ASN   69   8.12 +/- 1.15   2.631% *  0.2944% (0.49   0.02   0.02) =   0.008%
          HB3   LEU   63 - HN    ASN   69   9.08 +/- 1.63   0.905% *  0.5837% (0.97   0.02   0.02) =   0.006%
          QD1   LEU  123 - HN    ASN   69   9.90 +/- 3.07   0.592% *  0.2944% (0.49   0.02   0.02) =   0.002%
          QG1   VAL   18 - HN    ASN   69  10.97 +/- 1.07   0.239% *  0.5052% (0.84   0.02   0.02) =   0.001%
          QG1   VAL  108 - HN    ASN   69  19.94 +/- 2.22   0.027% *  0.2944% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ASN   69  14.41 +/- 1.44   0.036% *  0.1197% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 872 (3.75, 7.34, 119.88 ppm):
    8 chemical-shift based assignments, quality = 0.971, support = 3.95, residual support = 21.8:
          HD2   PRO   68 - HN    LEU   67   4.05 +/- 0.87  50.337% * 96.2380% (1.00   3.98  21.74) =  97.237%  kept
          HA    VAL   24 - HE3   TRP   27   4.15 +/- 1.62  48.209% *  2.8418% (0.04   2.74  25.02) =   2.750%  kept
          HA    ALA   61 - HN    LEU   67   7.34 +/- 0.39   1.391% *  0.4673% (0.97   0.02   0.02) =   0.013%
          HD3   PRO   58 - HN    LEU   67  13.64 +/- 0.51   0.031% *  0.1495% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HE3   TRP   27  15.17 +/- 0.72   0.020% *  0.0587% (0.12   0.02   0.02) =   0.000%
          HD2   PRO   68 - HE3   TRP   27  18.42 +/- 1.56   0.007% *  0.0607% (0.13   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LEU   67  20.71 +/- 1.27   0.002% *  0.1652% (0.34   0.02   0.02) =   0.000%
          HD3   PRO   58 - HE3   TRP   27  19.30 +/- 0.85   0.004% *  0.0188% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 4.63, residual support = 21.7:
          HD3   PRO   68 - HN    LEU   67   3.76 +/- 0.92  99.652% * 97.5734% (0.76   4.63  21.74) =  99.999%  kept
          HB2   PHE   59 - HN    LEU   67  11.41 +/- 0.64   0.215% *  0.2266% (0.41   0.02   0.02) =   0.001%
          QB    PHE   55 - HN    LEU   67  16.97 +/- 0.74   0.020% *  0.3787% (0.69   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   67  18.44 +/- 0.89   0.011% *  0.5215% (0.95   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   67  20.55 +/- 1.55   0.008% *  0.5404% (0.98   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   67  20.63 +/- 1.47   0.006% *  0.4414% (0.80   0.02   0.02) =   0.000%
          HB3   CYS   53 - HE3   TRP   27  15.97 +/- 1.59   0.027% *  0.0656% (0.12   0.02   0.02) =   0.000%
          HD3   PRO   93 - HE3   TRP   27  16.53 +/- 1.62   0.024% *  0.0555% (0.10   0.02   0.02) =   0.000%
          HD3   PRO   68 - HE3   TRP   27  19.09 +/- 1.33   0.010% *  0.0530% (0.10   0.02   0.02) =   0.000%
          QB    PHE   55 - HE3   TRP   27  19.07 +/- 1.45   0.010% *  0.0476% (0.09   0.02   0.02) =   0.000%
          HB2   PHE   59 - HE3   TRP   27  17.98 +/- 1.79   0.015% *  0.0285% (0.05   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HE3   TRP   27  22.60 +/- 1.35   0.004% *  0.0679% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.04 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.63, support = 1.73, residual support = 4.97:
          HA    ALA   64 - HN    LEU   67   3.19 +/- 0.34  94.634% * 25.2884% (0.65   1.27   3.96) =  85.831%  kept
          QE    LYS+  66 - HN    LEU   67   5.90 +/- 0.65   5.336% * 74.0404% (0.53   4.56  11.09) =  14.169%  kept
          HB3   ASN   35 - HE3   TRP   27  14.05 +/- 1.61   0.016% *  0.0648% (0.10   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LEU   67  20.62 +/- 1.15   0.002% *  0.5153% (0.84   0.02   0.02) =   0.000%
          HA    ALA   64 - HE3   TRP   27  14.83 +/- 0.73   0.011% *  0.0502% (0.08   0.02   0.02) =   0.000%
          QE    LYS+  66 - HE3   TRP   27  20.76 +/- 1.43   0.002% *  0.0408% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (1.98, 7.34, 119.88 ppm):
    18 chemical-shift based assignments, quality = 0.607, support = 5.04, residual support = 62.0:
      O   HB2   LEU   67 - HN    LEU   67   2.68 +/- 0.50  95.422% * 82.2328% (0.61  10.0   5.05  62.34) =  99.105%  kept
          HG2   PRO   68 - HN    LEU   67   5.84 +/- 1.02   4.124% * 17.1877% (0.65   1.0   3.92  21.74) =   0.895%  kept
          HB    VAL   18 - HN    LEU   67   9.06 +/- 1.13   0.108% *  0.0462% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU   67  12.29 +/- 1.29   0.023% *  0.0768% (0.57   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HE3   TRP   27   9.65 +/- 1.82   0.131% *  0.0096% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LEU   67  14.50 +/- 1.40   0.007% *  0.1283% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LEU   67  14.32 +/- 0.65   0.007% *  0.1308% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27   9.06 +/- 0.92   0.146% *  0.0034% (0.02   1.0   0.02   0.18) =   0.000%
          QB    GLU- 114 - HN    LEU   67  15.95 +/- 1.69   0.005% *  0.0660% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HE3   TRP   27  12.08 +/- 0.95   0.021% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  16.69 +/- 1.68   0.002% *  0.0103% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  19.50 +/- 1.20   0.001% *  0.0161% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   67  20.12 +/- 0.99   0.001% *  0.0209% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  19.79 +/- 1.43   0.001% *  0.0110% (0.08   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  19.05 +/- 1.28   0.001% *  0.0083% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  21.36 +/- 0.70   0.001% *  0.0164% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  24.17 +/- 1.17   0.000% *  0.0268% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  21.31 +/- 1.09   0.001% *  0.0026% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.942, support = 4.47, residual support = 10.8:
          QB    LYS+  66 - HN    LEU   67   3.08 +/- 0.29  89.902% * 77.9324% (0.95   4.54  11.09) =  97.615%  kept
          QB    LYS+  65 - HN    LEU   67   4.75 +/- 0.25   8.579% * 19.9465% (0.76   1.44   0.02) =   2.384%  kept
          HB    VAL   41 - HE3   TRP   27   8.44 +/- 1.67   0.804% *  0.0365% (0.10   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU   67  10.37 +/- 2.69   0.168% *  0.1361% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   67   9.31 +/- 1.27   0.187% *  0.0807% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LEU   67  10.67 +/- 0.32   0.057% *  0.2633% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   71 - HE3   TRP   27   9.44 +/- 1.48   0.199% *  0.0331% (0.09   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU   67  14.41 +/- 0.71   0.009% *  0.2903% (0.80   0.02   0.02) =   0.000%
          HG12  ILE  103 - HE3   TRP   27  11.45 +/- 1.43   0.056% *  0.0295% (0.08   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   67  18.93 +/- 1.63   0.002% *  0.3594% (0.99   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   67  18.83 +/- 1.45   0.002% *  0.3145% (0.87   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HE3   TRP   27  13.99 +/- 1.60   0.015% *  0.0395% (0.11   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   67  18.88 +/- 1.35   0.002% *  0.2346% (0.65   0.02   0.02) =   0.000%
          HG2   PRO   93 - HE3   TRP   27  16.49 +/- 1.56   0.005% *  0.0452% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  66 - HE3   TRP   27  17.83 +/- 0.98   0.003% *  0.0431% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  65 - HE3   TRP   27  17.47 +/- 0.56   0.003% *  0.0348% (0.10   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   67  21.95 +/- 0.95   0.001% *  0.1361% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  16.30 +/- 1.10   0.005% *  0.0101% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  20.28 +/- 1.89   0.001% *  0.0171% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  23.21 +/- 2.95   0.001% *  0.0171% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.66, support = 5.6, residual support = 59.6:
          HG    LEU   67 - HN    LEU   67   3.59 +/- 0.86  42.675% * 44.6439% (1.00   1.0   5.81  62.34) =  53.699%  kept
      O   HB3   LEU   67 - HN    LEU   67   3.62 +/- 0.28  37.880% * 38.3995% (0.25  10.0   5.40  62.34) =  40.998%  kept
          QG    LYS+  66 - HN    LEU   67   4.36 +/- 0.39  11.747% * 16.0072% (0.41   1.0   5.06  11.09) =   5.300%  kept
          HG    LEU   73 - HE3   TRP   27   5.91 +/- 1.33   6.909% *  0.0117% (0.08   1.0   0.02  13.15) =   0.002%
          HG    LEU   40 - HN    LEU   67  10.71 +/- 1.27   0.071% *  0.1526% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   67  10.68 +/- 1.87   0.095% *  0.1058% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   67   7.64 +/- 0.35   0.407% *  0.0238% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU   67  10.51 +/- 1.23   0.083% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   67  12.40 +/- 1.01   0.029% *  0.0934% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   67  13.67 +/- 1.54   0.016% *  0.1526% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   67  13.69 +/- 1.76   0.020% *  0.1058% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HE3   TRP   27  12.83 +/- 1.30   0.022% *  0.0192% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE3   TRP   27  13.98 +/- 1.44   0.012% *  0.0087% (0.06   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  16.07 +/- 1.97   0.007% *  0.0141% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   67  21.91 +/- 1.86   0.001% *  0.1118% (0.73   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HE3   TRP   27  17.57 +/- 1.70   0.003% *  0.0193% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  18.32 +/- 1.44   0.002% *  0.0192% (0.12   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  13.89 +/- 0.82   0.012% *  0.0030% (0.02   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  19.14 +/- 2.09   0.002% *  0.0133% (0.09   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  19.07 +/- 1.40   0.003% *  0.0080% (0.05   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  19.80 +/- 1.62   0.002% *  0.0133% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  16.86 +/- 1.50   0.003% *  0.0048% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 878 (0.96, 7.34, 119.88 ppm):
    14 chemical-shift based assignments, quality = 0.308, support = 4.19, residual support = 62.3:
          QD1   LEU   67 - HN    LEU   67   3.49 +/- 0.70  94.689% * 93.2174% (0.31   4.19  62.34) =  99.941%  kept
          QG2   ILE  119 - HN    LEU   67   7.32 +/- 1.78   2.818% *  1.3919% (0.97   0.02   0.02) =   0.044%
          QD2   LEU   71 - HN    LEU   67   8.63 +/- 0.62   0.653% *  1.3919% (0.97   0.02   0.02) =   0.010%
          QD2   LEU   40 - HN    LEU   67  10.13 +/- 1.07   0.291% *  0.4010% (0.28   0.02   0.02) =   0.001%
          QD2   LEU   71 - HE3   TRP   27   9.58 +/- 1.28   0.445% *  0.1750% (0.12   0.02   0.02) =   0.001%
          QD1   ILE  103 - HE3   TRP   27   9.96 +/- 1.10   0.357% *  0.1809% (0.13   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HE3   TRP   27   9.66 +/- 0.98   0.358% *  0.0954% (0.07   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    LEU   67  16.59 +/- 1.03   0.013% *  1.4390% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   67  14.94 +/- 1.17   0.025% *  0.7588% (0.53   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    LEU   67  15.65 +/- 1.18   0.018% *  0.5929% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   40 - HE3   TRP   27  11.10 +/- 1.10   0.158% *  0.0504% (0.03   0.02   0.02) =   0.000%
          QG2   ILE  103 - HE3   TRP   27  11.88 +/- 0.98   0.104% *  0.0745% (0.05   0.02   0.02) =   0.000%
          QD1   LEU   67 - HE3   TRP   27  13.70 +/- 1.77   0.054% *  0.0560% (0.04   0.02   0.02) =   0.000%
          QG2   ILE  119 - HE3   TRP   27  16.65 +/- 2.18   0.016% *  0.1750% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.05 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 6.02, residual support = 25.1:
      O   HA    LYS+  65 - HN    LYS+  66   3.51 +/- 0.05  98.228% * 98.9277% (0.61  10.0   6.02  25.13) =  99.998%  kept
          HA2   GLY   16 - HN    LYS+  66   7.54 +/- 0.95   1.503% *  0.1120% (0.69   1.0   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    LYS+  66  10.77 +/- 1.94   0.191% *  0.1574% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  66  13.52 +/- 1.25   0.038% *  0.1463% (0.90   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  66  13.87 +/- 1.11   0.031% *  0.0923% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  66  18.24 +/- 1.15   0.005% *  0.1543% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  66  21.80 +/- 1.66   0.002% *  0.1617% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  66  21.75 +/- 0.82   0.002% *  0.1362% (0.84   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  66  26.17 +/- 0.82   0.001% *  0.1120% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 1.61, residual support = 5.52:
          HA    LEU   63 - HN    LYS+  66   3.27 +/- 0.31  99.997% * 98.5975% (0.99   1.61   5.52) = 100.000%  kept
          HB2   HIS   22 - HN    LYS+  66  21.66 +/- 1.12   0.001% *  0.8486% (0.69   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    LYS+  66  22.29 +/- 1.50   0.001% *  0.5539% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 0.897, support = 4.51, residual support = 15.0:
          HA    ALA   64 - HN    LYS+  66   3.96 +/- 0.26  78.590% * 77.6459% (0.95   4.45   7.76) =  93.166%  kept
          QE    LYS+  66 - HN    LYS+  66   5.16 +/- 0.64  20.256% * 22.0921% (0.22   5.37 113.34) =   6.832%  kept
          HB2   PHE   72 - HN    LYS+  66   8.18 +/- 0.64   1.152% *  0.0822% (0.22   0.02   0.17) =   0.001%
          HB3   ASN   35 - HN    LYS+  66  22.52 +/- 1.23   0.003% *  0.1798% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.80 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 = 0.67, support = 5.08, residual support = 107.5:
      O   QB    LYS+  66 - HN    LYS+  66   2.23 +/- 0.10  86.427% * 68.6659% (0.65  10.0   5.02 113.34) =  93.417%  kept
          QB    LYS+  65 - HN    LYS+  66   3.08 +/- 0.16  13.538% * 30.8927% (0.99   1.0   5.87  25.13) =   6.583%  kept
          HB3   GLN   17 - HN    LYS+  66   9.01 +/- 1.31   0.029% *  0.0558% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  66  12.29 +/- 0.55   0.003% *  0.1040% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  66  18.17 +/- 1.65   0.000% *  0.0952% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  66  15.87 +/- 0.86   0.001% *  0.0476% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  20.13 +/- 1.39   0.000% *  0.1059% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  19.98 +/- 1.60   0.000% *  0.0328% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 0.443, support = 3.95, residual support = 71.9:
          QG    LYS+  66 - HN    LYS+  66   3.23 +/- 0.52  84.657% * 20.0136% (0.15   4.53 113.34) =  59.455%  kept
          HG    LEU   67 - HN    LYS+  66   5.28 +/- 1.14  14.992% * 77.0568% (0.87   3.10  11.09) =  40.539%  kept
          QB    ALA  120 - HN    LYS+  66  10.41 +/- 1.58   0.180% *  0.5532% (0.97   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    LYS+  66  12.34 +/- 1.21   0.039% *  0.4590% (0.80   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LYS+  66  12.34 +/- 1.27   0.039% *  0.4381% (0.76   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+  66  12.88 +/- 1.75   0.030% *  0.5532% (0.97   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LYS+  66  12.94 +/- 1.72   0.025% *  0.4381% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+  66  13.48 +/- 1.17   0.020% *  0.1594% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  66  13.82 +/- 1.15   0.017% *  0.1134% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LYS+  66  23.39 +/- 1.87   0.001% *  0.2151% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.05 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.02, residual support = 7.76:
          QB    ALA   64 - HN    LYS+  66   4.37 +/- 0.18 100.000% *100.0000% (0.95   3.02   7.76) = 100.000%  kept
    Distance limit 4.44 A violated in 0 structures by 0.04 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.09, residual support = 164.3:
      O   HA    LYS+  65 - HN    LYS+  65   2.83 +/- 0.04  98.905% * 99.3218% (0.64  10.0   6.09 164.30) =  99.999%  kept
          HA2   GLY   16 - HN    LYS+  65   6.84 +/- 1.05   1.056% *  0.1038% (0.67   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    LYS+  65  12.22 +/- 1.76   0.022% *  0.1018% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  65  15.02 +/- 1.13   0.005% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  14.56 +/- 0.94   0.006% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  65  17.25 +/- 1.10   0.002% *  0.0696% (0.45   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  65  19.96 +/- 1.79   0.001% *  0.0822% (0.53   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  65  19.95 +/- 0.98   0.001% *  0.0524% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  19.37 +/- 0.90   0.001% *  0.0367% (0.24   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  25.03 +/- 0.65   0.000% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  22.06 +/- 1.01   0.000% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  26.63 +/- 0.82   0.000% *  0.0188% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (2.85, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.654, support = 4.85, residual support = 28.0:
      O   HA    ALA   64 - HN    LYS+  65   3.57 +/- 0.04  94.278% * 99.9016% (0.65  10.0   4.85  28.04) =  99.999%  kept
          QE    LYS+  66 - HN    LYS+  65   6.98 +/- 0.95   3.806% *  0.0235% (0.15   1.0   0.02  25.13) =   0.001%
          HB2   PHE   72 - HN    LYS+  65   7.01 +/- 0.51   1.914% *  0.0235% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LYS+  65  22.57 +/- 0.95   0.002% *  0.0514% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (1.82, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.529, support = 6.56, residual support = 163.5:
      O   QB    LYS+  65 - HN    LYS+  65   2.22 +/- 0.13  97.841% * 78.1699% (0.53  10.0   6.58 164.30) =  99.449%  kept
          QB    LYS+  66 - HN    LYS+  65   4.33 +/- 0.21   1.989% * 21.3181% (0.65   1.0   4.41  25.13) =   0.551%  kept
          HB3   GLN   17 - HN    LYS+  65   7.13 +/- 1.25   0.156% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  65  12.09 +/- 0.26   0.004% *  0.0743% (0.50   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  11.73 +/- 1.86   0.007% *  0.0384% (0.26   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  65  15.76 +/- 0.64   0.001% *  0.0819% (0.55   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  65  16.83 +/- 1.70   0.001% *  0.1014% (0.68   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  20.53 +/- 1.12   0.000% *  0.0887% (0.60   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  19.92 +/- 1.35   0.000% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  19.59 +/- 0.77   0.000% *  0.0384% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 0.141, support = 5.33, residual support = 161.5:
          HG2   LYS+  65 - HN    LYS+  65   3.09 +/- 0.61  96.915% * 58.8543% (0.14   5.40 164.30) =  98.316%  kept
          HG    LEU   67 - HN    LYS+  65   6.57 +/- 1.19   2.702% * 36.0784% (0.36   1.25   0.02) =   1.680%  kept
          QB    ALA  120 - HN    LYS+  65  11.56 +/- 1.44   0.079% *  1.0415% (0.65   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+  65  12.68 +/- 1.50   0.042% *  1.0415% (0.65   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HN    LYS+  65  11.80 +/- 1.09   0.059% *  0.5359% (0.34   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LYS+  65  13.16 +/- 1.06   0.026% *  1.0986% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LYS+  65  12.68 +/- 1.60   0.059% *  0.4526% (0.28   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LYS+  65  12.96 +/- 1.09   0.030% *  0.4526% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+  65  14.92 +/- 2.48   0.072% *  0.1699% (0.11   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  65  14.38 +/- 0.84   0.015% *  0.2745% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.05 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.224, support = 4.84, residual support = 138.6:
          HG3   LYS+  65 - HN    LYS+  65   3.59 +/- 0.57  85.556% * 43.8456% (0.17   5.35 164.30) =  84.232%  kept
          HB2   LEU   63 - HN    LYS+  65   5.09 +/- 0.31  13.866% * 50.6297% (0.50   2.12   1.48) =  15.764%  kept
          HB3   ASP-  44 - HN    LYS+  65  10.83 +/- 1.05   0.147% *  0.5493% (0.58   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    LYS+  65  13.07 +/- 1.86   0.068% *  0.6221% (0.65   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  65   9.96 +/- 0.60   0.229% *  0.1640% (0.17   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    LYS+  65  15.02 +/- 1.44   0.029% *  0.6518% (0.68   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+  65  12.95 +/- 0.59   0.046% *  0.2030% (0.21   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  65  17.36 +/- 1.09   0.008% *  0.6518% (0.68   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  65  16.30 +/- 1.44   0.015% *  0.2704% (0.28   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  65  19.90 +/- 0.69   0.004% *  0.6562% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  65  18.32 +/- 1.63   0.006% *  0.3460% (0.36   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  65  17.69 +/- 1.55   0.008% *  0.1301% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  65  20.83 +/- 2.65   0.004% *  0.2468% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LYS+  65  20.50 +/- 0.97   0.003% *  0.2948% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  65  21.34 +/- 0.75   0.002% *  0.3989% (0.42   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LYS+  65  18.48 +/- 1.19   0.006% *  0.1152% (0.12   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  65  23.94 +/- 1.05   0.001% *  0.2243% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.03 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   2.78 +/- 0.20 100.000% *100.0000% (0.65   4.74  28.04) = 100.000%  kept
    Distance limit 3.38 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 = 7.29:
          HA    ALA   61 - HN    ALA   64   3.39 +/- 0.21  98.011% * 95.1123% (0.95   0.75   7.29) =  99.955%  kept
          HD2   PRO   68 - HN    ALA   64   7.76 +/- 1.45   1.784% *  2.1470% (0.80   0.02   0.02) =   0.041%
          HD3   PRO   58 - HN    ALA   64   9.78 +/- 0.35   0.185% *  1.7345% (0.65   0.02   0.02) =   0.003%
          HA    VAL   75 - HN    ALA   64  14.41 +/- 0.65   0.019% *  1.0063% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (2.85, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.22, residual support = 20.8:
      O   HA    ALA   64 - HN    ALA   64   2.80 +/- 0.05  98.450% * 99.9016% (0.95  10.0   4.22  20.76) = 100.000%  kept
          HB2   PHE   72 - HN    ALA   64   5.97 +/- 0.46   1.233% *  0.0235% (0.22   1.0   0.02  37.84) =   0.000%
          QE    LYS+  66 - HN    ALA   64   7.98 +/- 0.89   0.316% *  0.0235% (0.22   1.0   0.02   7.76) =   0.000%
          HB3   ASN   35 - HN    ALA   64  21.47 +/- 1.11   0.001% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 894 (1.80, 6.46, 118.53 ppm):
    9 chemical-shift based assignments, quality = 0.869, support = 4.65, residual support = 26.2:
          QB    LYS+  65 - HN    ALA   64   4.45 +/- 0.22  63.757% * 82.5057% (0.92   4.87  28.04) =  90.750%  kept
          QB    LYS+  66 - HN    ALA   64   5.00 +/- 0.29  33.247% * 16.1005% (0.34   2.57   7.76) =   9.235%  kept
          HB3   GLN   17 - HN    ALA   64   8.10 +/- 1.10   2.476% *  0.3069% (0.84   0.02   2.43) =   0.013%
          HB2   LEU   71 - HN    ALA   64  10.78 +/- 0.50   0.330% *  0.3475% (0.95   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    ALA   64  14.87 +/- 1.71   0.075% *  0.2228% (0.61   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    ALA   64  13.90 +/- 0.73   0.072% *  0.0727% (0.20   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    ALA   64  18.81 +/- 1.06   0.012% *  0.3069% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ALA   64  16.73 +/- 1.45   0.026% *  0.0727% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ALA   64  21.99 +/- 0.94   0.005% *  0.0643% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 7.32, residual support = 54.5:
          HB2   LEU   63 - HN    ALA   64   3.04 +/- 0.33  96.104% * 81.8373% (0.73   7.34  54.64) =  99.387%  kept
          HG3   LYS+  65 - HN    ALA   64   5.79 +/- 0.82   3.104% * 15.5836% (0.25   4.07  28.04) =   0.611%  kept
          HB3   ASP-  44 - HN    ALA   64   8.64 +/- 1.05   0.268% *  0.2564% (0.84   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   64   8.11 +/- 0.65   0.371% *  0.0766% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   64  12.98 +/- 1.42   0.040% *  0.3043% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   64  13.18 +/- 1.94   0.025% *  0.2904% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   64  11.29 +/- 0.70   0.044% *  0.0948% (0.31   0.02   0.13) =   0.000%
          HG    LEU   98 - HN    ALA   64  15.25 +/- 1.04   0.008% *  0.3043% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   64  15.01 +/- 1.40   0.010% *  0.1262% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   64  16.05 +/- 1.49   0.006% *  0.1615% (0.53   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   64  18.07 +/- 0.72   0.003% *  0.3063% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   64  19.03 +/- 2.70   0.004% *  0.1152% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   64  19.35 +/- 0.71   0.002% *  0.1862% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   64  18.95 +/- 1.12   0.002% *  0.1376% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   64  16.93 +/- 1.69   0.004% *  0.0608% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   64  17.11 +/- 1.07   0.004% *  0.0538% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   64  21.99 +/- 1.04   0.001% *  0.1047% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 6.8, residual support = 54.6:
          HG    LEU   63 - HN    ALA   64   4.15 +/- 1.18  79.502% * 98.5940% (0.53   6.80  54.64) =  99.971%  kept
          QD1   ILE  119 - HN    ALA   64   6.29 +/- 1.34  20.203% *  0.1091% (0.20   0.02   0.02) =   0.028%
          HG3   LYS+ 112 - HN    ALA   64  14.60 +/- 1.80   0.112% *  0.5087% (0.92   0.02   0.02) =   0.001%
          QG2   VAL  108 - HN    ALA   64  14.03 +/- 1.86   0.095% *  0.3343% (0.61   0.02   0.02) =   0.000%
          HB2   LEU  104 - HN    ALA   64  15.05 +/- 1.20   0.061% *  0.2471% (0.45   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    ALA   64  17.47 +/- 1.10   0.027% *  0.2068% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.24 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.7, residual support = 54.6:
          HB3   LEU   63 - HN    ALA   64   3.61 +/- 0.51  83.318% * 99.3298% (0.97   6.71  54.64) =  99.971%  kept
          QG1   VAL   18 - HN    ALA   64   5.74 +/- 1.01  10.262% *  0.1615% (0.53   0.02   8.53) =   0.020%
          QG1   VAL   70 - HN    ALA   64   6.76 +/- 1.02   4.786% *  0.1262% (0.41   0.02   0.02) =   0.007%
          QD1   LEU  123 - HN    ALA   64   8.79 +/- 1.75   1.290% *  0.0683% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    ALA   64   9.96 +/- 1.04   0.270% *  0.0683% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ALA   64  15.48 +/- 2.06   0.075% *  0.2458% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.06 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.833, support = 6.08, residual support = 54.6:
          QD2   LEU   63 - HN    ALA   64   4.25 +/- 0.71  50.433% * 59.9031% (1.00   5.71  54.64) =  61.446%  kept
          QD1   LEU   63 - HN    ALA   64   4.27 +/- 0.35  47.890% * 39.5796% (0.57   6.67  54.64) =  38.551%  kept
          QD2   LEU  115 - HN    ALA   64   8.61 +/- 1.14   1.094% *  0.0523% (0.25   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    ALA   64  10.44 +/- 0.78   0.315% *  0.1187% (0.57   0.02   0.13) =   0.001%
          QG2   VAL   41 - HN    ALA   64  11.63 +/- 0.78   0.132% *  0.1272% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ALA   64  13.10 +/- 1.22   0.079% *  0.0862% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   64  15.51 +/- 1.17   0.025% *  0.0862% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   64  14.86 +/- 1.15   0.032% *  0.0467% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 4.22, residual support = 20.8:
      O   QB    ALA   64 - HN    ALA   64   2.04 +/- 0.07 100.000% *100.0000% (0.95  10.0   4.22  20.76) = 100.000%  kept
    Distance limit 3.03 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   3.61 +/- 0.03  99.906% * 99.8321% (0.97  10.0   5.24  42.43) = 100.000%  kept
          HA    SER  117 - HN    LEU   63  12.06 +/- 0.96   0.089% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LEU   63  19.47 +/- 1.37   0.004% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LEU   63  25.90 +/- 1.02   0.001% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 11.8:
          HA    PHE   60 - HN    LEU   63   3.47 +/- 0.19  99.588% * 92.4872% (0.69   1.50  11.80) =  99.996%  kept
          HA    ALA  120 - HN    LEU   63  10.03 +/- 1.53   0.250% *  0.6124% (0.34   0.02   0.02) =   0.002%
          QB    SER  117 - HN    LEU   63  11.58 +/- 0.77   0.083% *  1.7794% (0.99   0.02   0.02) =   0.002%
          HA    LYS+ 121 - HN    LEU   63  12.86 +/- 1.02   0.044% *  1.3720% (0.76   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LEU   63  14.44 +/- 1.17   0.024% *  1.2332% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU   63  17.66 +/- 0.59   0.006% *  1.4995% (0.84   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU   63  18.60 +/- 1.51   0.006% *  1.0164% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 7.47, residual support = 240.8:
      O   HA    LEU   63 - HN    LEU   63   2.80 +/- 0.04  99.999% * 99.8508% (0.76  10.0   7.47 240.83) = 100.000%  kept
          HA2   GLY  101 - HN    LEU   63  21.99 +/- 1.35   0.000% *  0.1046% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LEU   63  20.83 +/- 1.19   0.001% *  0.0446% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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   3.31 +/- 0.63  99.955% * 99.7489% (0.98   5.24  42.43) = 100.000%  kept
          QB    ASP- 113 - HN    LEU   63  13.54 +/- 1.09   0.031% *  0.0769% (0.20   0.02   0.02) =   0.000%
          HB2   PRO   52 - HN    LEU   63  15.98 +/- 1.15   0.014% *  0.1742% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.03 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   2.99 +/- 0.49  99.988% * 98.9510% (0.95   5.24  42.43) = 100.000%  kept
          HG3   MET   96 - HN    LEU   63  15.23 +/- 1.17   0.009% *  0.3687% (0.92   0.02   0.47) =   0.000%
          HG2   GLU-  36 - HN    LEU   63  22.86 +/- 2.37   0.001% *  0.2900% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    LEU   63  23.07 +/- 1.07   0.001% *  0.2261% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    LEU   63  23.91 +/- 1.72   0.001% *  0.1642% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.03 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 7.85, residual support = 240.8:
      O   HB2   LEU   63 - HN    LEU   63   2.14 +/- 0.11  99.775% * 98.8228% (0.73  10.0   7.85 240.83) = 100.000%  kept
          HG3   LYS+  65 - HN    LEU   63   6.56 +/- 0.90   0.169% *  0.0339% (0.25   1.0   0.02   1.48) =   0.000%
          HB3   ASP-  44 - HN    LEU   63   9.04 +/- 1.30   0.024% *  0.1137% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   63  12.16 +/- 1.42   0.004% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   63   9.61 +/- 0.93   0.016% *  0.0339% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   63  12.60 +/- 1.57   0.003% *  0.1287% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   63  12.72 +/- 1.49   0.003% *  0.0559% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   63  13.10 +/- 0.90   0.002% *  0.0420% (0.31   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   63  16.07 +/- 1.16   0.001% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  15.73 +/- 1.61   0.001% *  0.0716% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  17.11 +/- 2.65   0.001% *  0.0511% (0.38   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  18.39 +/- 0.83   0.000% *  0.1358% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  20.38 +/- 0.78   0.000% *  0.0825% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  20.81 +/- 1.31   0.000% *  0.0610% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  18.18 +/- 1.27   0.000% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  19.24 +/- 1.81   0.000% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  22.70 +/- 1.18   0.000% *  0.0464% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 7.43, residual support = 240.8:
          HG    LEU   63 - HN    LEU   63   3.20 +/- 0.33  99.307% * 99.4948% (1.00   7.43 240.83) = 100.000%  kept
          QG1   VAL  107 - HN    LEU   63   8.94 +/- 1.35   0.617% *  0.0470% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    LEU   63  12.41 +/- 2.00   0.074% *  0.1950% (0.73   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LEU   63  18.71 +/- 1.11   0.003% *  0.2632% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.11 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.5, residual support = 240.8:
      O   HB3   LEU   63 - HN    LEU   63   3.41 +/- 0.10  95.395% * 99.7743% (0.97  10.0   7.50 240.83) =  99.998%  kept
          QG1   VAL   18 - HN    LEU   63   7.20 +/- 0.95   1.637% *  0.0544% (0.53   1.0   0.02   0.02) =   0.001%
          QG1   VAL   70 - HN    LEU   63   7.73 +/- 0.98   1.081% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    LEU   63   7.67 +/- 1.43   1.709% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   63  14.52 +/- 2.18   0.109% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU   63  11.79 +/- 1.09   0.069% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.876, support = 6.84, residual support = 240.8:
          QD1   LEU   63 - HN    LEU   63   3.34 +/- 0.49  67.152% * 47.7891% (0.90   6.49 240.83) =  66.594%  kept
          QD2   LEU   63 - HN    LEU   63   3.90 +/- 0.69  31.112% * 51.7369% (0.84   7.54 240.83) =  33.402%  kept
          QD2   LEU  115 - HN    LEU   63   6.98 +/- 1.28   1.628% *  0.0930% (0.57   0.02   0.02) =   0.003%
          QD1   LEU   73 - HN    LEU   63  12.02 +/- 0.97   0.035% *  0.1474% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   63  12.93 +/- 0.98   0.025% *  0.0457% (0.28   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   63  14.02 +/- 1.76   0.017% *  0.0507% (0.31   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   63  15.92 +/- 1.13   0.007% *  0.0865% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   63  13.97 +/- 1.40   0.018% *  0.0254% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   63  16.50 +/- 1.36   0.006% *  0.0254% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 909 (2.65, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.845, support = 3.84, residual support = 41.0:
      O   HB2   ASP-  62 - HN    ASP-  62   2.66 +/- 0.40  99.987% * 99.9341% (0.84  10.0   3.84  41.03) = 100.000%  kept
          HB2   PRO   52 - HN    ASP-  62  15.08 +/- 0.80   0.004% *  0.0457% (0.39   1.0   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  13.86 +/- 1.11   0.008% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.05 A, kept.
 
    Peak 910 (2.45, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.815, support = 3.84, residual support = 41.0:
      O   HB3   ASP-  62 - HN    ASP-  62   2.41 +/- 0.32  99.998% * 99.7231% (0.82  10.0   3.84  41.03) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  62  16.57 +/- 0.88   0.001% *  0.0973% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  62  24.42 +/- 2.11   0.000% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    ASP-  62  23.82 +/- 0.78   0.000% *  0.0597% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  24.72 +/- 1.43   0.000% *  0.0433% (0.35   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.384, support = 0.0197, residual support = 0.0197:
          QB    LYS+  66 - HN    ASP-  62   6.42 +/- 0.55  85.934% *  5.0993% (0.32   0.02   0.02) =  78.936%  kept
          HG    LEU  123 - HN    ASP-  62  11.63 +/- 1.73   3.955% * 12.8527% (0.82   0.02   0.02) =   9.156%  kept
          HG3   PRO   68 - HN    ASP-  62  12.28 +/- 1.89   2.808% *  8.7895% (0.56   0.02   0.02) =   4.446%  kept
          HG2   ARG+  54 - HN    ASP-  62  12.12 +/- 0.99   2.176% *  7.6923% (0.49   0.02   0.02) =   3.015%  kept
          HB3   PRO   52 - HN    ASP-  62  15.56 +/- 0.79   0.495% * 12.8527% (0.82   0.02   0.02) =   1.146%  kept
          HG2   PRO   93 - HN    ASP-  62  13.22 +/- 1.55   2.492% *  2.3795% (0.15   0.02   0.02) =   1.068%  kept
          HB3   ASP- 105 - HN    ASP-  62  15.29 +/- 1.54   0.625% *  7.1484% (0.45   0.02   0.02) =   0.805%  kept
          QB    LYS+ 106 - HN    ASP-  62  14.49 +/- 1.29   0.777% *  3.3879% (0.21   0.02   0.02) =   0.474%
          HB    VAL   41 - HN    ASP-  62  16.96 +/- 0.82   0.275% *  7.6923% (0.49   0.02   0.02) =   0.381%
          HG12  ILE  103 - HN    ASP-  62  19.80 +/- 1.29   0.120% *  9.8662% (0.63   0.02   0.02) =   0.213%
          QB    LYS+  33 - HN    ASP-  62  18.32 +/- 1.21   0.178% *  5.5858% (0.35   0.02   0.02) =   0.179%
          HB    ILE  103 - HN    ASP-  62  21.11 +/- 1.06   0.076% *  8.2409% (0.52   0.02   0.02) =   0.113%
          HB3   GLN   90 - HN    ASP-  62  23.38 +/- 1.29   0.040% *  4.6346% (0.29   0.02   0.02) =   0.034%
          QB    LYS+  81 - HN    ASP-  62  22.60 +/- 0.82   0.049% *  3.7777% (0.24   0.02   0.02) =   0.034%
    Distance limit 4.28 A violated in 20 structures by 1.99 A, eliminated.
    Peak unassigned.
 
    Peak 912 (1.42, 7.86, 120.86 ppm):
    12 chemical-shift based assignments, quality = 0.796, support = 2.79, residual support = 8.35:
          QB    ALA   61 - HN    ASP-  62   2.77 +/- 0.21  99.012% * 94.7960% (0.80   2.79   8.35) =  99.995%  kept
          QG    LYS+  66 - HN    ASP-  62   6.88 +/- 1.13   0.726% *  0.4468% (0.52   0.02   0.02) =   0.003%
          QB    ALA  110 - HN    ASP-  62  12.73 +/- 3.04   0.175% *  0.7366% (0.86   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ASP-  62  10.42 +/- 0.72   0.042% *  0.5898% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  12.82 +/- 1.19   0.013% *  0.7301% (0.85   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  12.67 +/- 0.97   0.014% *  0.3585% (0.42   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  14.99 +/- 1.75   0.007% *  0.3875% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  13.90 +/- 1.06   0.008% *  0.3028% (0.35   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  19.96 +/- 0.99   0.001% *  0.7349% (0.86   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.52 +/- 0.95   0.003% *  0.1837% (0.21   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  19.79 +/- 0.80   0.001% *  0.5060% (0.59   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  24.57 +/- 1.67   0.000% *  0.2273% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.844, support = 1.6, residual support = 3.25:
          QB    LYS+  65 - HN    LEU   63   4.83 +/- 0.35  47.995% * 54.8441% (0.76   1.93   1.48) =  56.132%  kept
          QB    LYS+  66 - HN    LEU   63   4.81 +/- 0.36  49.625% * 41.4392% (0.95   1.18   5.52) =  43.853%  kept
          HG    LEU  123 - HN    LEU   63  10.12 +/- 1.76   1.161% *  0.2787% (0.38   0.02   0.02) =   0.007%
          HB3   GLN   17 - HN    LEU   63  10.09 +/- 1.25   0.817% *  0.1653% (0.22   0.02   0.02) =   0.003%
          HG2   PRO   93 - HN    LEU   63  13.84 +/- 1.63   0.149% *  0.7359% (0.99   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    LEU   63  12.76 +/- 0.88   0.144% *  0.5392% (0.73   0.02   0.02) =   0.002%
          HB    VAL   41 - HN    LEU   63  15.25 +/- 1.06   0.048% *  0.5946% (0.80   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    LEU   63  16.48 +/- 0.76   0.031% *  0.2787% (0.38   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   63  18.19 +/- 1.58   0.018% *  0.4803% (0.65   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   63  19.39 +/- 1.19   0.011% *  0.6441% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 4.87, residual support = 40.6:
      O   HA    PHE   60 - HN    ALA   61   3.63 +/- 0.01  99.790% * 99.3945% (0.69  10.0   4.87  40.60) = 100.000%  kept
          QB    SER  117 - HN    ALA   61  13.26 +/- 0.66   0.044% *  0.1434% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA   61  13.09 +/- 0.81   0.049% *  0.0994% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA   61  14.33 +/- 0.86   0.028% *  0.1209% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ALA   61  13.13 +/- 1.20   0.052% *  0.0494% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA   61  15.48 +/- 1.52   0.022% *  0.0819% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    ALA   61  15.93 +/- 0.74   0.014% *  0.1106% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 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 +/- 0.04  98.430% * 99.8077% (0.95  10.0   2.77  18.02) =  99.999%  kept
          HD3   PRO   58 - HN    ALA   61   5.70 +/- 0.36   1.539% *  0.0683% (0.65   1.0   0.02   0.74) =   0.001%
          HD2   PRO   68 - HN    ALA   61  12.15 +/- 1.62   0.022% *  0.0845% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA   61  13.36 +/- 0.77   0.009% *  0.0396% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.41, 7.72, 117.18 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.82, residual support = 40.6:
          HB2   PHE   60 - HN    ALA   61   2.74 +/- 0.44  99.920% * 99.4588% (0.84   4.82  40.60) = 100.000%  kept
          HB    THR   46 - HN    ALA   61   9.67 +/- 1.10   0.079% *  0.0978% (0.20   0.02   0.02) =   0.000%
          HB2   TRP   87 - HN    ALA   61  19.40 +/- 1.10   0.001% *  0.4434% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 917 (2.97, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.87, residual support = 40.6:
          HB3   PHE   60 - HN    ALA   61   3.53 +/- 0.62  99.930% * 99.1717% (0.98   4.87  40.60) = 100.000%  kept
          QE    LYS+ 106 - HN    ALA   61  15.89 +/- 1.18   0.021% *  0.3601% (0.87   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   61  14.66 +/- 1.20   0.032% *  0.1707% (0.41   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   61  16.14 +/- 0.93   0.016% *  0.1558% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ALA   61  23.77 +/- 1.02   0.002% *  0.1416% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 4.03, residual support = 18.0:
      O   QB    ALA   61 - HN    ALA   61   2.08 +/- 0.07  99.909% * 99.0576% (0.73  10.0   4.03  18.02) = 100.000%  kept
          QG    LYS+  66 - HN    ALA   61   8.89 +/- 1.02   0.022% *  0.1337% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   61  12.06 +/- 3.25   0.030% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   61   9.24 +/- 1.34   0.021% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   61  11.32 +/- 1.06   0.005% *  0.1183% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   61  11.05 +/- 1.28   0.006% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA   61  12.63 +/- 1.15   0.002% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  11.86 +/- 1.15   0.004% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   61  14.59 +/- 0.91   0.001% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  17.78 +/- 1.10   0.000% *  0.0718% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  23.97 +/- 1.66   0.000% *  0.1290% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 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   2.38 +/- 0.30  99.788% * 99.4991% (0.76   6.10  40.30) = 100.000%  kept
          HA    ALA   61 - HN    PHE   59   7.05 +/- 0.17   0.208% *  0.1136% (0.26   0.02   0.32) =   0.000%
          HA    VAL   75 - HN    PHE   59  15.80 +/- 0.81   0.002% *  0.3214% (0.74   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    PHE   59  14.46 +/- 1.97   0.003% *  0.0659% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.64 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   2.47 +/- 0.46  99.498% * 99.5977% (0.76  10.0   4.37  58.46) = 100.000%  kept
          QB    PHE   55 - HN    PHE   59   7.03 +/- 0.53   0.391% *  0.0951% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    PHE   59   9.44 +/- 0.43   0.052% *  0.0690% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    PHE   59  10.30 +/- 1.32   0.037% *  0.0609% (0.47   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   59  11.78 +/- 1.24   0.017% *  0.0872% (0.67   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   59  14.25 +/- 1.98   0.005% *  0.0901% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.02 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   2.40 +/- 0.43  99.953% * 99.9594% (0.67  10.0   4.98  58.46) = 100.000%  kept
          HB2   PHE   95 - HN    PHE   59   9.42 +/- 1.73   0.046% *  0.0178% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   59  17.59 +/- 0.92   0.001% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.01 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   3.48 +/- 0.45  99.273% * 98.5251% (0.19  10.0   6.58  40.30) =  99.998%  kept
          HB2   GLN  116 - HN    PHE   59   9.19 +/- 1.18   0.697% *  0.3300% (0.64   1.0   0.02   0.55) =   0.002%
          HB3   PHE   97 - HN    PHE   59  14.88 +/- 1.92   0.023% *  0.2714% (0.53   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   59  19.31 +/- 1.12   0.005% *  0.3164% (0.62   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    PHE   59  25.27 +/- 1.34   0.001% *  0.3647% (0.71   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   59  25.08 +/- 1.15   0.001% *  0.1923% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.02 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   2.94 +/- 0.28  99.706% * 98.7278% (0.76   6.30  40.30) = 100.000%  kept
          HB2   PRO   93 - HN    PHE   59   9.93 +/- 1.47   0.120% *  0.1315% (0.32   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    PHE   59   9.38 +/- 0.91   0.144% *  0.0560% (0.14   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    PHE   59  13.11 +/- 0.57   0.015% *  0.3135% (0.76   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    PHE   59  16.72 +/- 2.22   0.005% *  0.0889% (0.21   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    PHE   59  19.92 +/- 1.82   0.001% *  0.3191% (0.77   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   59  14.39 +/- 1.75   0.009% *  0.0433% (0.10   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    PHE   59  27.69 +/- 3.26   0.000% *  0.3198% (0.77   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (1.90, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 6.25, residual support = 40.1:
      O   HB3   PRO   58 - HN    PHE   59   4.14 +/- 0.25  65.990% * 97.6194% (0.69  10.0   6.30  40.30) =  98.939%  kept
          HB    ILE   56 - HN    PHE   59   4.93 +/- 1.11  33.920% *  2.0356% (0.19   1.0   1.50  19.84) =   1.060%  kept
          HB2   MET   92 - HN    PHE   59  14.54 +/- 1.39   0.035% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   59  14.34 +/- 1.11   0.041% *  0.0271% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   59  19.57 +/- 1.54   0.006% *  0.0573% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   59  20.12 +/- 1.26   0.005% *  0.0616% (0.44   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  27.80 +/- 3.51   0.001% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  25.42 +/- 1.29   0.001% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 19.8:
          QG1   ILE   56 - HN    PHE   59   3.87 +/- 0.65  99.577% * 97.7319% (0.67   4.26  19.84) =  99.999%  kept
          HB3   MET   92 - HN    PHE   59  13.13 +/- 1.52   0.099% *  0.2369% (0.35   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    PHE   59  13.49 +/- 2.40   0.111% *  0.1803% (0.26   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    PHE   59  14.95 +/- 1.20   0.043% *  0.4232% (0.62   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    PHE   59  15.44 +/- 1.14   0.036% *  0.3205% (0.47   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    PHE   59  13.32 +/- 1.32   0.105% *  0.0815% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    PHE   59  19.11 +/- 1.33   0.010% *  0.4414% (0.64   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    PHE   59  20.36 +/- 1.46   0.006% *  0.4039% (0.59   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    PHE   59  18.53 +/- 1.18   0.013% *  0.1803% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.03 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.357, support = 0.02, residual support = 1.86:
          HA    ALA   61 - HN    ALA   57   8.81 +/- 0.70  97.101% * 14.7090% (0.34   0.02   1.96) =  94.844%  kept
          HD2   PRO   68 - HN    ALA   57  17.58 +/- 2.07   2.133% * 22.6869% (0.53   0.02   0.02) =   3.214%  kept
          HA    VAL   24 - HN    ALA   57  20.63 +/- 0.95   0.639% * 41.6148% (0.97   0.02   0.02) =   1.765%  kept
          HA    LYS+  38 - HN    ALA   57  26.94 +/- 0.98   0.127% * 20.9893% (0.49   0.02   0.02) =   0.178%
    Distance limit 3.50 A violated in 20 structures by 5.27 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.366, support = 0.02, residual support = 0.02:
          HB3   CYS   53 - HN    ALA   57   6.51 +/- 0.42  52.132% * 30.3140% (0.34   0.02   0.02) =  49.910%  kept
          HD2   ARG+  54 - HN    ALA   57   7.01 +/- 1.12  39.298% * 36.5352% (0.41   0.02   0.02) =  45.344%  kept
          HD3   PRO   93 - HN    ALA   57   9.50 +/- 1.13   8.352% * 17.5871% (0.20   0.02   0.02) =   4.639%  kept
          HD3   PRO   68 - HN    ALA   57  17.42 +/- 2.10   0.218% * 15.5637% (0.18   0.02   0.02) =   0.107%
    Distance limit 4.46 A violated in 15 structures by 1.33 A, eliminated.
    Peak unassigned.
 
    Peak 929 (1.90, 7.41, 127.14 ppm):
    8 chemical-shift based assignments, quality = 0.564, support = 4.8, residual support = 29.2:
          HB    ILE   56 - HN    ALA   57   4.30 +/- 0.60  74.895% * 25.6658% (0.25   5.34  33.02) =  51.355%  kept
          HB3   PRO   58 - HN    ALA   57   5.33 +/- 0.28  24.904% * 73.1117% (0.90   4.23  25.07) =  48.644%  kept
          HB2   MET   92 - HN    ALA   57  12.56 +/- 1.43   0.133% *  0.2801% (0.73   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    ALA   57  14.82 +/- 1.17   0.052% *  0.0962% (0.25   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    ALA   57  20.85 +/- 1.93   0.007% *  0.2029% (0.53   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   57  20.89 +/- 1.11   0.007% *  0.2184% (0.57   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ALA   57  29.21 +/- 3.83   0.001% *  0.2801% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   57  27.82 +/- 1.16   0.001% *  0.1448% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.09 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   2.24 +/- 0.35  99.974% * 99.4737% (0.92  10.0   4.87  24.31) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   57  10.81 +/- 0.98   0.013% *  0.1068% (0.99   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   57  12.07 +/- 1.16   0.007% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   57  14.57 +/- 1.60   0.003% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   57  15.94 +/- 1.10   0.002% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ALA   57  17.01 +/- 1.79   0.002% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ALA   57  21.92 +/- 1.44   0.000% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  19.64 +/- 1.59   0.000% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  26.25 +/- 0.99   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 931 (1.26, 7.41, 127.14 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 5.34, residual support = 33.0:
          QG2   ILE   56 - HN    ALA   57   3.64 +/- 0.58  99.704% * 97.4851% (0.87   5.34  33.02) =  99.999%  kept
          QB    ALA   91 - HN    ALA   57  12.44 +/- 1.19   0.114% *  0.4064% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   57  11.86 +/- 1.42   0.135% *  0.1888% (0.45   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   57  16.56 +/- 1.36   0.016% *  0.2893% (0.69   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   57  18.22 +/- 1.07   0.009% *  0.4064% (0.97   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   57  19.21 +/- 0.81   0.006% *  0.2893% (0.69   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   57  18.21 +/- 1.55   0.010% *  0.1437% (0.34   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   57  20.15 +/- 1.10   0.004% *  0.1731% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   57  24.43 +/- 1.40   0.001% *  0.2050% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   57  29.38 +/- 1.15   0.000% *  0.4128% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.19 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.63, residual support = 59.6:
      O   HB2   ASN   69 - HD21  ASN   69   2.63 +/- 0.49  99.931% * 99.6854% (0.36  10.0   3.63  59.58) = 100.000%  kept
          QE    LYS+  66 - HD21  ASN   69  11.23 +/- 1.66   0.064% *  0.1287% (0.47   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD21  ASN   69  14.93 +/- 1.31   0.005% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD21  ASN   69  23.75 +/- 0.87   0.000% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  28.21 +/- 0.91   0.000% *  0.0238% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 933 (0.88, 7.68, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.317, support = 4.13, residual support = 26.0:
          QG1   VAL   70 - HD21  ASN   69   3.67 +/- 1.21  85.235% * 94.6178% (0.32   4.15  26.13) =  99.430%  kept
          QD1   LEU   71 - HD21  ASN   69   7.64 +/- 1.86  14.256% *  3.2267% (0.19   0.23   0.02) =   0.567%  kept
          HB3   LEU   63 - HD21  ASN   69  11.00 +/- 1.87   0.153% *  0.8058% (0.56   0.02   0.02) =   0.002%
          QD1   LEU  123 - HD21  ASN   69  10.91 +/- 3.74   0.229% *  0.2749% (0.19   0.02   0.02) =   0.001%
          QG1   VAL   18 - HD21  ASN   69  12.22 +/- 1.30   0.106% *  0.5535% (0.39   0.02   0.02) =   0.001%
          QG1   VAL  108 - HD21  ASN   69  19.89 +/- 2.58   0.022% *  0.5213% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.05 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.376, support = 0.0199, residual support = 0.0199:
          HA    LEU  123 - HD21  ASN   69  11.30 +/- 6.05  34.347% * 14.3693% (0.39   0.02   0.02) =  53.072%  kept
          HA    LYS+  99 - HD21  ASN   69   9.98 +/- 1.36  11.146% * 19.7883% (0.53   0.02   0.02) =  23.717%  kept
          HA    LEU   40 - HD21  ASN   69   7.63 +/- 1.32  49.890% *  2.8311% (0.08   0.02   0.02) =  15.188%  kept
          HA    ASN   35 - HD21  ASN   69  12.56 +/- 1.29   3.672% * 17.4728% (0.47   0.02   0.02) =   6.900%  kept
          HA    PHE   59 - HD21  ASN   69  16.54 +/- 1.97   0.703% *  8.6000% (0.23   0.02   0.02) =   0.650%  kept
          HA    ILE   56 - HD21  ASN   69  21.11 +/- 1.68   0.146% * 16.7505% (0.45   0.02   0.02) =   0.262%
          HA    ASP- 113 - HD21  ASN   69  21.96 +/- 2.91   0.097% * 20.1881% (0.54   0.02   0.02) =   0.211%
    Distance limit 4.79 A violated in 14 structures by 1.79 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.27, residual support = 20.4:
          QB    PHE   55 - HN    ILE   56   2.89 +/- 0.38  94.170% * 97.6871% (0.97   4.28  20.43) =  99.973%  kept
          HB3   CYS   53 - HN    ILE   56   5.57 +/- 0.40   2.433% *  0.4570% (0.97   0.02   0.02) =   0.012%
          HB2   PHE   59 - HN    ILE   56   6.11 +/- 0.80   2.068% *  0.3619% (0.76   0.02  19.84) =   0.008%
          HD2   ARG+  54 - HN    ILE   56   6.82 +/- 0.63   0.985% *  0.4371% (0.92   0.02   0.02) =   0.005%
          HD3   PRO   93 - HN    ILE   56   7.80 +/- 1.28   0.332% *  0.4724% (1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HN    ILE   56  19.18 +/- 2.01   0.002% *  0.4693% (0.99   0.02   0.02) =   0.000%
          HD3   PRO   93 - HZ2   TRP   87  16.35 +/- 1.14   0.004% *  0.0205% (0.04   0.02   0.02) =   0.000%
          HB3   CYS   53 - HZ2   TRP   87  17.40 +/- 1.26   0.003% *  0.0198% (0.04   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  19.74 +/- 1.27   0.001% *  0.0198% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  19.35 +/- 1.59   0.001% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  21.74 +/- 1.28   0.001% *  0.0204% (0.04   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  24.77 +/- 1.62   0.000% *  0.0190% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 936 (1.89, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.867, support = 6.04, residual support = 124.4:
      O   HB    ILE   56 - HN    ILE   56   3.10 +/- 0.66  92.157% * 99.2786% (0.87  10.0   6.04 124.38) =  99.997%  kept
          HG2   ARG+  54 - HN    ILE   56   5.63 +/- 0.73   5.762% *  0.0200% (0.18   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    ILE   56   7.46 +/- 0.41   0.835% *  0.0916% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    ILE   56  10.71 +/- 1.66   0.423% *  0.1083% (0.95   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    ILE   56  13.43 +/- 1.15   0.024% *  0.0513% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87  10.54 +/- 1.75   0.172% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87  10.00 +/- 1.57   0.202% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  17.58 +/- 1.98   0.006% *  0.0390% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87   9.21 +/- 1.59   0.250% *  0.0008% (0.01   1.0   0.02   4.14) =   0.000%
          HB3   GLN   30 - HN    ILE   56  21.90 +/- 1.26   0.001% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  17.04 +/- 0.76   0.006% *  0.0226% (0.20   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  11.49 +/- 0.42   0.065% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE   56  19.43 +/- 1.18   0.003% *  0.0471% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  15.40 +/- 2.29   0.015% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  20.56 +/- 2.74   0.004% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  13.69 +/- 1.30   0.023% *  0.0014% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  13.95 +/- 0.56   0.018% *  0.0017% (0.01   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  23.36 +/- 1.27   0.001% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  28.87 +/- 1.04   0.000% *  0.1105% (0.97   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  21.52 +/- 1.00   0.001% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  14.19 +/- 2.01   0.021% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  18.30 +/- 1.46   0.004% *  0.0048% (0.04   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  19.70 +/- 1.74   0.002% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  23.49 +/- 1.37   0.001% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  31.30 +/- 3.74   0.000% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  22.86 +/- 1.62   0.001% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  22.42 +/- 1.81   0.001% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  29.05 +/- 4.08   0.000% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 1 structures by 0.23 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.17, residual support = 124.4:
          QG1   ILE   56 - HN    ILE   56   4.03 +/- 0.33  94.996% * 98.0277% (0.87   5.17 124.38) =  99.996%  kept
          HB3   MET   92 - HN    ILE   56   9.39 +/- 1.78   1.383% *  0.1958% (0.45   0.02   0.02) =   0.003%
          HD2   LYS+ 111 - HN    ILE   56  11.93 +/- 1.87   0.253% *  0.1490% (0.34   0.02   2.08) =   0.000%
          QD    LYS+ 106 - HN    ILE   56  15.14 +/- 1.23   0.044% *  0.3498% (0.80   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HZ2   TRP   87  10.99 +/- 2.12   0.911% *  0.0152% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   73 - HZ2   TRP   87   9.72 +/- 1.28   0.815% *  0.0115% (0.03   0.02   0.02) =   0.000%
          HB    ILE   89 - HZ2   TRP   87   8.47 +/- 0.67   1.302% *  0.0065% (0.01   0.02  16.88) =   0.000%
          HB2   LEU   73 - HN    ILE   56  16.95 +/- 1.05   0.020% *  0.2649% (0.61   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    ILE   56  16.37 +/- 1.42   0.026% *  0.1490% (0.34   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    ILE   56  21.90 +/- 1.04   0.004% *  0.3648% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HZ2   TRP   87  13.60 +/- 1.53   0.087% *  0.0145% (0.03   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ILE   56  17.57 +/- 1.85   0.017% *  0.0674% (0.15   0.02   0.02) =   0.000%
          QD    LYS+  99 - HZ2   TRP   87  14.28 +/- 1.51   0.063% *  0.0158% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    ILE   56  23.08 +/- 1.04   0.003% *  0.3338% (0.76   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  16.51 +/- 1.72   0.026% *  0.0164% (0.04   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  15.38 +/- 1.82   0.040% *  0.0085% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  23.23 +/- 2.79   0.006% *  0.0065% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  24.03 +/- 3.57   0.004% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.22 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.404, support = 0.683, residual support = 2.02:
          QB    ALA  110 - HN    ILE   56   7.06 +/- 3.49  51.510% * 18.2303% (0.20   0.85   3.44) =  54.547%  kept
          HB3   LEU  115 - HN    ILE   56   7.97 +/- 0.86   8.622% * 46.4055% (0.92   0.46   0.33) =  23.243%  kept
          HG    LEU  115 - HN    ILE   56   8.05 +/- 1.50  17.762% * 21.1589% (0.38   0.52   0.33) =  21.830%  kept
          QB    ALA   61 - HN    ILE   56   8.14 +/- 0.60   5.972% *  0.8162% (0.38   0.02   0.02) =   0.283%
          QB    ALA  120 - HN    ILE   56  13.31 +/- 1.29   0.525% *  0.8162% (0.38   0.02   0.02) =   0.025%
          QG    LYS+  66 - HN    ILE   56  14.50 +/- 1.08   0.213% *  1.5792% (0.73   0.02   0.02) =   0.020%
          HG    LEU   80 - HZ2   TRP   87   8.38 +/- 1.75  11.687% *  0.0210% (0.01   0.02   0.02) =   0.014%
          HG    LEU   73 - HZ2   TRP   87  10.26 +/- 1.31   1.553% *  0.0846% (0.04   0.02   0.02) =   0.008%
          HG    LEU   67 - HN    ILE   56  18.25 +/- 1.69   0.062% *  1.8165% (0.84   0.02   0.02) =   0.007%
          HG    LEU   73 - HN    ILE   56  17.93 +/- 1.18   0.057% *  1.9504% (0.90   0.02   0.02) =   0.007%
          HG    LEU   40 - HN    ILE   56  19.60 +/- 1.02   0.036% *  2.0075% (0.92   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HZ2   TRP   87  12.10 +/- 1.87   0.648% *  0.0911% (0.04   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    ILE   56  18.64 +/- 1.20   0.047% *  1.1442% (0.53   0.02   0.02) =   0.003%
          HG    LEU   40 - HZ2   TRP   87  13.27 +/- 1.50   0.357% *  0.0871% (0.04   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    ILE   56  19.08 +/- 1.40   0.039% *  0.4842% (0.22   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    ILE   56  18.68 +/- 1.55   0.055% *  0.3356% (0.15   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    ILE   56  21.07 +/- 1.11   0.026% *  0.4304% (0.20   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    ILE   56  26.50 +/- 1.60   0.005% *  2.0988% (0.97   0.02   0.02) =   0.001%
          HB3   LEU  115 - HZ2   TRP   87  18.23 +/- 2.16   0.080% *  0.0871% (0.04   0.02   0.02) =   0.000%
          QB    ALA  110 - HZ2   TRP   87  16.71 +/- 2.03   0.205% *  0.0187% (0.01   0.02   0.02) =   0.000%
          HB3   LEU   40 - HZ2   TRP   87  14.83 +/- 1.18   0.170% *  0.0187% (0.01   0.02   0.02) =   0.000%
          QB    ALA   61 - HZ2   TRP   87  16.94 +/- 1.40   0.083% *  0.0354% (0.02   0.02   0.02) =   0.000%
          HG    LEU   67 - HZ2   TRP   87  20.27 +/- 1.94   0.031% *  0.0788% (0.04   0.02   0.02) =   0.000%
          HG    LEU  115 - HZ2   TRP   87  19.17 +/- 2.45   0.063% *  0.0354% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   67 - HZ2   TRP   87  19.57 +/- 2.28   0.039% *  0.0497% (0.02   0.02   0.02) =   0.000%
          HG12  ILE   19 - HZ2   TRP   87  17.07 +/- 2.00   0.099% *  0.0146% (0.01   0.02   0.02) =   0.000%
          QG    LYS+  66 - HZ2   TRP   87  21.27 +/- 2.08   0.020% *  0.0685% (0.03   0.02   0.02) =   0.000%
          QB    ALA  120 - HZ2   TRP   87  19.67 +/- 2.03   0.032% *  0.0354% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 11 structures by 0.99 A, kept.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.68, residual support = 124.4:
          QG2   ILE   56 - HN    ILE   56   2.73 +/- 0.39  99.773% * 98.4615% (1.00   6.68 124.38) = 100.000%  kept
          QB    ALA   91 - HN    ILE   56  11.18 +/- 1.38   0.045% *  0.2140% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ILE   56  12.76 +/- 1.43   0.015% *  0.0583% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HZ2   TRP   87   9.98 +/- 1.11   0.060% *  0.0121% (0.04   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  11.01 +/- 1.23   0.043% *  0.0083% (0.03   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ILE   56  18.69 +/- 1.73   0.001% *  0.1906% (0.65   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ILE   56  20.02 +/- 0.82   0.001% *  0.2788% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   56  19.39 +/- 1.04   0.001% *  0.2140% (0.73   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   56  18.34 +/- 1.54   0.002% *  0.1106% (0.38   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  12.18 +/- 0.77   0.017% *  0.0093% (0.03   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  13.92 +/- 1.26   0.008% *  0.0093% (0.03   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  15.56 +/- 1.98   0.004% *  0.0128% (0.04   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  21.47 +/- 1.09   0.001% *  0.0516% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  12.99 +/- 1.07   0.011% *  0.0025% (0.01   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  13.62 +/- 1.32   0.009% *  0.0022% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  30.38 +/- 1.11   0.000% *  0.2788% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  18.46 +/- 1.88   0.002% *  0.0121% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  25.04 +/- 1.08   0.000% *  0.0656% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  15.23 +/- 1.59   0.005% *  0.0028% (0.01   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  16.96 +/- 1.60   0.002% *  0.0048% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.02 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.908, support = 5.37, residual support = 59.8:
          HB3   CYS   53 - HN    ARG+  54   3.91 +/- 0.29  48.060% * 35.6321% (0.94   5.36  31.92) =  58.281%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.78 +/- 0.38  15.703% * 45.5577% (0.95   6.80 166.74) =  24.347%  kept
          QB    PHE   55 - HN    ARG+  54   4.30 +/- 0.23  27.762% * 18.3756% (0.76   3.42   3.47) =  17.362%  kept
          HD3   PRO   93 - HN    ARG+  54   7.24 +/- 0.97   1.557% *  0.1203% (0.85   0.02   0.02) =   0.006%
          HB2   PHE   59 - HN    ASP-  62   5.55 +/- 0.36   6.248% *  0.0132% (0.09   0.02   6.49) =   0.003%
          HB2   PHE   59 - HN    ARG+  54   9.89 +/- 0.75   0.198% *  0.0705% (0.50   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ASP-  62  10.64 +/- 1.66   0.239% *  0.0218% (0.15   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASP-  62  10.83 +/- 0.54   0.112% *  0.0201% (0.14   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASP-  62  12.24 +/- 0.60   0.052% *  0.0249% (0.18   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASP-  62  13.19 +/- 1.55   0.046% *  0.0251% (0.18   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASP-  62  14.99 +/- 1.39   0.021% *  0.0225% (0.16   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ARG+  54  22.17 +/- 2.00   0.002% *  0.1163% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 6.39, residual support = 166.7:
      O   HB2   ARG+  54 - HN    ARG+  54   2.93 +/- 0.61  99.129% * 96.9633% (0.26  10.0   6.39 166.74) = 100.000%  kept
          HB2   GLN   17 - HN    ASP-  62   9.25 +/- 1.21   0.288% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ASP-  62   8.70 +/- 0.93   0.271% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ARG+  54  13.72 +/- 1.39   0.020% *  0.2793% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP-  62  12.67 +/- 1.37   0.031% *  0.0647% (0.18   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ARG+  54  13.37 +/- 1.37   0.023% *  0.0776% (0.21   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ARG+  54  15.46 +/- 1.29   0.009% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  12.54 +/- 1.18   0.038% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ARG+  54  15.02 +/- 2.05   0.014% *  0.1190% (0.32   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ARG+  54  17.04 +/- 1.94   0.005% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  12.19 +/- 2.30   0.073% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  12.62 +/- 1.01   0.030% *  0.0181% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  15.72 +/- 2.12   0.007% *  0.0523% (0.14   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  13.10 +/- 1.61   0.024% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ARG+  54  21.21 +/- 1.77   0.001% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  13.25 +/- 0.80   0.021% *  0.0114% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ARG+  54  22.14 +/- 1.74   0.001% *  0.3025% (0.82   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ARG+  54  23.94 +/- 1.94   0.001% *  0.3457% (0.94   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  17.47 +/- 1.59   0.004% *  0.0566% (0.15   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  18.84 +/- 1.84   0.002% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  22.62 +/- 1.30   0.001% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  17.66 +/- 0.92   0.003% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  16.89 +/- 1.99   0.004% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  24.42 +/- 1.84   0.000% *  0.1835% (0.50   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  23.50 +/- 2.78   0.001% *  0.0472% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  30.65 +/- 1.20   0.000% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  24.24 +/- 1.41   0.001% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  24.07 +/- 0.98   0.000% *  0.0343% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.09 A, kept.
 
    Peak 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.929, support = 6.34, residual support = 164.6:
          HG2   ARG+  54 - HN    ARG+  54   3.45 +/- 0.32  89.768% * 83.8826% (0.94   6.38 166.74) =  98.714%  kept
          HB3   PRO   52 - HN    ARG+  54   5.37 +/- 0.23   7.238% * 13.5152% (0.29   3.30   1.76) =   1.282%  kept
          HB    ILE   56 - HN    ARG+  54   6.94 +/- 0.89   2.137% *  0.1292% (0.46   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    ASP-  62   8.99 +/- 1.09   0.465% *  0.0242% (0.09   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP-  62  12.28 +/- 1.89   0.101% *  0.0479% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ARG+  54  16.24 +/- 2.19   0.015% *  0.2562% (0.91   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ARG+  54  15.34 +/- 1.20   0.015% *  0.2380% (0.85   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP-  62  12.12 +/- 0.99   0.060% *  0.0492% (0.18   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ASP-  62  11.63 +/- 1.73   0.116% *  0.0153% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ARG+  54  17.83 +/- 1.19   0.006% *  0.2450% (0.87   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASP-  62  14.49 +/- 1.29   0.024% *  0.0445% (0.16   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASP-  62  15.29 +/- 1.54   0.017% *  0.0496% (0.18   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ARG+  54  20.00 +/- 0.86   0.003% *  0.2648% (0.94   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ARG+  54  23.55 +/- 2.66   0.001% *  0.2562% (0.91   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ARG+  54  23.38 +/- 1.19   0.001% *  0.2602% (0.93   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP-  62  18.32 +/- 1.21   0.005% *  0.0492% (0.18   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ARG+  54  20.55 +/- 2.29   0.003% *  0.0819% (0.29   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ARG+  54  24.44 +/- 1.26   0.001% *  0.2631% (0.94   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  15.56 +/- 0.79   0.013% *  0.0153% (0.05   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  21.11 +/- 1.06   0.002% *  0.0487% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  22.59 +/- 1.24   0.001% *  0.0525% (0.19   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  22.60 +/- 0.82   0.001% *  0.0458% (0.16   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  23.38 +/- 1.29   0.001% *  0.0479% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  18.11 +/- 1.04   0.005% *  0.0098% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  22.86 +/- 1.09   0.001% *  0.0169% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  31.20 +/- 0.86   0.000% *  0.0905% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.08 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.163, support = 2.79, residual support = 8.35:
          QB    ALA   61 - HN    ASP-  62   2.77 +/- 0.21  98.369% * 72.1179% (0.16   2.79   8.35) =  99.968%  kept
          QB    ALA  110 - HN    ARG+  54   8.68 +/- 3.21   0.572% *  2.9948% (0.95   0.02   0.02) =   0.024%
          QG    LYS+  66 - HN    ASP-  62   6.88 +/- 1.13   0.721% *  0.3399% (0.11   0.02   0.02) =   0.003%
          QB    ALA   61 - HN    ARG+  54   9.68 +/- 1.00   0.063% *  2.7645% (0.87   0.02   0.02) =   0.002%
          QB    ALA  110 - HN    ASP-  62  12.73 +/- 3.04   0.174% *  0.5604% (0.18   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ASP-  62  10.42 +/- 0.72   0.041% *  0.4487% (0.14   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ARG+  54  14.64 +/- 1.36   0.006% *  1.4577% (0.46   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  12.82 +/- 1.19   0.013% *  0.5554% (0.18   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ARG+  54  18.29 +/- 1.26   0.001% *  2.9882% (0.94   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  12.67 +/- 0.97   0.014% *  0.2728% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ARG+  54  17.48 +/- 1.33   0.002% *  2.0572% (0.65   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ARG+  54  17.39 +/- 1.10   0.002% *  1.8164% (0.57   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ARG+  54  19.47 +/- 2.02   0.001% *  2.9683% (0.94   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  14.99 +/- 1.75   0.007% *  0.2948% (0.09   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  13.90 +/- 1.06   0.008% *  0.2304% (0.07   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ARG+  54  19.11 +/- 1.16   0.001% *  1.2312% (0.39   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ARG+  54  21.39 +/- 1.20   0.001% *  2.3980% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ARG+  54  21.34 +/- 1.40   0.001% *  1.5756% (0.50   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ARG+  54  20.57 +/- 1.11   0.001% *  0.7468% (0.24   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  19.96 +/- 0.99   0.001% *  0.5591% (0.18   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.52 +/- 0.95   0.003% *  0.1397% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  19.79 +/- 0.80   0.001% *  0.3849% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ARG+  54  28.49 +/- 1.60   0.000% *  0.9243% (0.29   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  24.57 +/- 1.67   0.000% *  0.1730% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 0.45, support = 2.96, residual support = 11.1:
      O   HA2   GLY   51 - HN    GLY   51   2.73 +/- 0.16  35.299% * 83.6611% (0.49  10.0   2.21  10.09) =  75.001%  kept
          HD2   PRO   52 - HN    GLY   51   2.47 +/- 0.50  64.592% * 15.2391% (0.34   1.0   5.20  14.11) =  24.999%  kept
          QB    SER   48 - HN    GLY   51   7.03 +/- 0.81   0.103% *  0.1314% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLY   51  12.80 +/- 1.53   0.005% *  0.1112% (0.65   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    GLY   51  18.30 +/- 1.61   0.000% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    GLY   51  22.39 +/- 1.12   0.000% *  0.1587% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  18.60 +/- 2.10   0.000% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    GLY   51  23.73 +/- 1.63   0.000% *  0.1626% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  18.90 +/- 1.45   0.000% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  24.51 +/- 1.81   0.000% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  25.87 +/- 1.21   0.000% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  30.95 +/- 0.69   0.000% *  0.0340% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 1.22, residual support = 7.26:
      O   QB    CYS   50 - HN    CYS   50   2.94 +/- 0.23  99.516% * 99.5179% (0.69  10.0   1.22   7.26) =  99.999%  kept
          HB3   ASP-  78 - HN    CYS   50   9.14 +/- 2.40   0.339% *  0.1989% (0.84   1.0   0.02   0.02) =   0.001%
          QE    LYS+  74 - HN    CYS   50   9.68 +/- 1.20   0.144% *  0.1729% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    CYS   50  23.73 +/- 1.35   0.000% *  0.0367% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   50  29.03 +/- 1.00   0.000% *  0.0735% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.04 A, kept.
 
    Peak 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.09, residual support = 6.75:
          QB    ALA   47 - HN    CYS   50   2.21 +/- 0.64  99.966% * 97.7651% (0.57   2.09   6.75) = 100.000%  kept
          HG2   LYS+ 112 - HN    CYS   50  15.04 +/- 2.51   0.026% *  0.2900% (0.18   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    CYS   50  15.38 +/- 0.78   0.004% *  1.2024% (0.73   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    CYS   50  14.88 +/- 0.67   0.004% *  0.7424% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.32, support = 3.53, residual support = 14.7:
      O   HA    SER   48 - HN    TRP   49   3.55 +/- 0.06  32.758% * 70.4210% (0.22  10.0   3.24  14.67) =  56.966%  kept
          QB    SER   48 - HN    TRP   49   3.17 +/- 0.32  62.895% * 27.6949% (0.45   1.0   3.91  14.67) =  43.015%  kept
          HD2   PRO   52 - HN    TRP   49   5.39 +/- 0.71   3.583% *  0.2046% (0.65   1.0   0.02   3.48) =   0.018%
          HA2   GLY   51 - HN    TRP   49   6.82 +/- 0.63   0.714% *  0.0704% (0.22   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    TRP   49  12.67 +/- 1.07   0.025% *  0.1079% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    TRP   49  16.28 +/- 2.21   0.017% *  0.1300% (0.41   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    TRP   49  15.46 +/- 1.48   0.006% *  0.3053% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    TRP   49  23.60 +/- 1.25   0.000% *  0.3135% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    TRP   49  25.14 +/- 1.96   0.000% *  0.3053% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    TRP   49  26.13 +/- 1.29   0.000% *  0.2173% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    TRP   49  29.08 +/- 1.23   0.000% *  0.1418% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    TRP   49  27.90 +/- 1.06   0.000% *  0.0879% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 3.99, residual support = 74.7:
      O   HB3   TRP   49 - HN    TRP   49   2.66 +/- 0.25  99.998% * 99.8958% (0.80  10.0   3.99  74.74) = 100.000%  kept
          HB3   PHE   59 - HN    TRP   49  16.80 +/- 1.03   0.002% *  0.1042% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (3.96, 9.44, 119.76 ppm):
    12 chemical-shift based assignments, quality = 0.417, support = 2.55, residual support = 9.47:
      O   QB    SER   48 - HN    SER   48   2.27 +/- 0.15  75.048% * 66.2308% (0.45  10.0   2.54   9.47) =  85.939%  kept
      O   HA    SER   48 - HN    SER   48   2.75 +/- 0.05  24.726% * 32.8893% (0.22  10.0   2.61   9.47) =  14.060%  kept
          HD2   PRO   52 - HN    SER   48   6.77 +/- 1.08   0.164% *  0.0956% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER   48  14.61 +/- 2.44   0.030% *  0.0607% (0.41   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER   48   8.85 +/- 0.44   0.023% *  0.0329% (0.22   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER   48  13.73 +/- 1.55   0.003% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   48  11.50 +/- 1.08   0.007% *  0.0504% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   48  22.89 +/- 1.64   0.000% *  0.1464% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   48  24.22 +/- 2.26   0.000% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  25.77 +/- 1.09   0.000% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  26.88 +/- 1.25   0.000% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  27.31 +/- 1.13   0.000% *  0.0411% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (0.38, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.08, residual support = 6.27:
          QB    ALA   47 - HN    SER   48   2.88 +/- 0.30  99.981% * 99.1203% (0.90   4.08   6.27) = 100.000%  kept
          QG1   VAL   42 - HN    SER   48  14.73 +/- 0.77   0.008% *  0.4337% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    SER   48  17.41 +/- 2.79   0.005% *  0.2428% (0.45   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    SER   48  15.81 +/- 1.14   0.006% *  0.2033% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.828, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47  10.02 +/- 0.85  88.346% * 52.2208% (0.84   0.02   0.02) =  89.231%  kept
          HB2   TRP   87 - HN    ALA   47  15.04 +/- 1.77  11.654% * 47.7792% (0.76   0.02   0.02) =  10.769%  kept
    Distance limit 4.16 A violated in 20 structures by 5.51 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.966, support = 1.24, residual support = 6.16:
          QB    CYS   50 - HN    ALA   47   3.50 +/- 1.27  84.728% * 61.8880% (0.97   1.28   6.75) =  91.258%  kept
          QE    LYS+  74 - HN    ALA   47   6.71 +/- 1.30  13.646% * 36.7558% (0.98   0.75   0.02) =   8.729%  kept
          HB3   ASP-  78 - HN    ALA   47   8.66 +/- 1.86   1.606% *  0.4867% (0.49   0.02   0.02) =   0.014%
          HB2   PHE   72 - HN    ALA   47  15.79 +/- 1.04   0.020% *  0.2226% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ALA   47  25.70 +/- 0.94   0.001% *  0.6469% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.11 A, kept.
 
    Peak 959 (0.74, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.21, residual support = 12.7:
          QG2   THR   46 - HN    ALA   47   3.50 +/- 0.46  99.530% * 97.5707% (0.97   3.21  12.69) =  99.997%  kept
          QG2   VAL   18 - HN    ALA   47  10.13 +/- 1.39   0.282% *  0.5656% (0.90   0.02   0.02) =   0.002%
          QG1   VAL   43 - HN    ALA   47  11.50 +/- 1.23   0.149% *  0.4332% (0.69   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    ALA   47  14.62 +/- 1.68   0.026% *  0.5966% (0.95   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    ALA   47  17.33 +/- 0.50   0.008% *  0.3070% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ALA   47  19.96 +/- 0.86   0.004% *  0.5268% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.00 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  99.975% * 99.7622% (0.57  10.0   2.36  10.97) = 100.000%  kept
          QB    ALA   64 - HN    ALA   47  12.80 +/- 0.79   0.005% *  0.1280% (0.73   1.0   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    ALA   47  11.91 +/- 0.53   0.008% *  0.0790% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    ALA   47  13.78 +/- 2.66   0.013% *  0.0309% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 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   3.26 +/- 0.37  99.950% * 99.3656% (0.25  10.0   3.25  34.52) = 100.000%  kept
          HA    LYS+ 112 - HN    THR   46  15.02 +/- 1.58   0.021% *  0.3045% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    THR   46  13.95 +/- 1.83   0.027% *  0.1359% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    THR   46  19.29 +/- 1.56   0.003% *  0.1940% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 0.604, support = 3.58, residual support = 11.9:
          QG2   THR   77 - HN    THR   46   3.15 +/- 0.59  95.484% * 80.5881% (0.61   3.60  11.98) =  99.279%  kept
          HB3   ASP-  44 - HN    THR   46   6.15 +/- 0.63   3.476% * 15.9079% (0.22   1.93   0.02) =   0.714%  kept
          QB    ALA   88 - HN    THR   46  11.66 +/- 1.47   0.588% *  0.6992% (0.95   0.02   0.02) =   0.005%
          HB3   LEU   80 - HN    THR   46   8.57 +/- 0.91   0.411% *  0.3039% (0.41   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    THR   46  13.81 +/- 1.45   0.026% *  0.2281% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   46  17.45 +/- 2.43   0.009% *  0.4782% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   46  17.33 +/- 0.77   0.006% *  0.4185% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   46  21.78 +/- 0.85   0.001% *  0.6629% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   46  25.41 +/- 0.50   0.001% *  0.7133% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.03 A, kept.
 
    Peak 963 (1.03, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.916, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  10.59 +/- 1.68  59.694% * 32.0586% (0.99   0.02   0.02) =  68.793%  kept
          QD1   ILE  119 - HN    THR   46  12.26 +/- 1.19  26.050% * 25.8997% (0.80   0.02   0.02) =  24.253%  kept
          HG3   LYS+ 112 - HN    THR   46  15.36 +/- 2.57  11.940% *  9.9831% (0.31   0.02   0.02) =   4.285%  kept
          HB2   LEU  104 - HN    THR   46  18.00 +/- 0.70   2.316% * 32.0586% (0.99   0.02   0.02) =   2.669%  kept
    Distance limit 4.59 A violated in 20 structures by 4.81 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   2.36 +/- 0.25  99.714% * 97.4006% (0.97   3.39  34.52) =  99.998%  kept
          QG1   VAL   43 - HN    THR   46   8.12 +/- 1.22   0.196% *  0.5638% (0.95   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    THR   46   8.85 +/- 1.41   0.062% *  0.5947% (1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    THR   46  12.59 +/- 1.38   0.007% *  0.4094% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    THR   46  10.65 +/- 0.69   0.016% *  0.0920% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    THR   46  13.98 +/- 0.50   0.003% *  0.4773% (0.80   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    THR   46  15.32 +/- 0.85   0.002% *  0.1486% (0.25   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    THR   46  17.20 +/- 0.76   0.001% *  0.3136% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 2.01:
          QG1   VAL   75 - HN    THR   46   3.76 +/- 0.89  99.422% * 99.0129% (0.92   1.66   2.01) =  99.994%  kept
          QD1   LEU  115 - HN    THR   46  11.30 +/- 1.69   0.578% *  0.9871% (0.76   0.02   0.02) =   0.006%
    Distance limit 4.43 A violated in 1 structures by 0.16 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.3, residual support = 27.2:
          HB    THR   94 - HN    PHE   45   4.53 +/- 0.84  97.345% * 94.1909% (0.65   3.30  27.18) =  99.986%  kept
          QB    SER   48 - HN    PHE   45  11.46 +/- 0.51   0.635% *  0.6747% (0.76   0.02   0.02) =   0.005%
          HD2   PRO   52 - HN    PHE   45  10.82 +/- 0.72   0.878% *  0.3012% (0.34   0.02   0.02) =   0.003%
          QB    SER   85 - HN    PHE   45  13.45 +/- 0.54   0.207% *  0.8520% (0.97   0.02   0.02) =   0.002%
          HA2   GLY   51 - HN    PHE   45  13.79 +/- 0.53   0.205% *  0.4297% (0.49   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    PHE   45  16.14 +/- 0.81   0.090% *  0.8150% (0.92   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    PHE   45  17.19 +/- 1.56   0.064% *  0.8352% (0.95   0.02   0.02) =   0.001%
          QB    SER  117 - HN    PHE   45  13.76 +/- 1.05   0.227% *  0.2201% (0.25   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    PHE   45  18.03 +/- 0.97   0.051% *  0.8520% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    PHE   45  13.16 +/- 0.67   0.224% *  0.1546% (0.18   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   45  17.92 +/- 1.68   0.054% *  0.4998% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    PHE   45  19.70 +/- 0.69   0.021% *  0.1747% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 5 structures by 0.35 A, kept.
 
    Peak 967 (3.06, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.68, residual support = 80.3:
      O   HB2   PHE   45 - HN    PHE   45   2.36 +/- 0.08  99.983% * 99.8561% (0.99  10.0   3.68  80.26) = 100.000%  kept
          HB2   CYS   21 - HN    PHE   45  11.25 +/- 1.91   0.013% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    PHE   45  14.34 +/- 1.76   0.004% *  0.0988% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 4.0, residual support = 80.3:
      O   HB3   PHE   45 - HN    PHE   45   3.55 +/- 0.05  98.245% * 99.6079% (0.87  10.0   4.00  80.26) =  99.999%  kept
          QE    LYS+ 112 - HN    PHE   45  11.55 +/- 2.36   0.885% *  0.0996% (0.87   1.0   0.02   0.02) =   0.001%
          HB    VAL  107 - HN    PHE   45   8.33 +/- 1.09   0.773% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    PHE   45  12.74 +/- 0.86   0.050% *  0.0919% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    PHE   45  13.26 +/- 1.02   0.042% *  0.0431% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   45  19.04 +/- 0.84   0.004% *  0.1060% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.476, support = 4.01, residual support = 18.5:
          HB3   ASP-  44 - HN    PHE   45   3.57 +/- 0.33  80.455% * 64.5609% (0.49   4.10  19.14) =  94.731%  kept
          QG2   THR   77 - HN    PHE   45   5.34 +/- 0.54   9.256% * 25.7955% (0.31   2.58   8.55) =   4.355%  kept
          HB3   PRO   93 - HN    PHE   45   5.42 +/- 0.71   9.196% *  5.4151% (0.15   1.09   0.02) =   0.908%  kept
          HB3   LEU   80 - HN    PHE   45  10.27 +/- 1.02   0.191% *  0.4696% (0.73   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    PHE   45  10.73 +/- 1.46   0.141% *  0.3922% (0.61   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    PHE   45  11.31 +/- 0.74   0.111% *  0.4442% (0.69   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    PHE   45   8.87 +/- 0.53   0.387% *  0.1133% (0.18   0.02   0.91) =   0.001%
          HG    LEU   98 - HN    PHE   45  11.10 +/- 1.38   0.199% *  0.1613% (0.25   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    PHE   45  14.89 +/- 2.46   0.040% *  0.5970% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   45  15.96 +/- 0.67   0.012% *  0.5610% (0.87   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   45  18.08 +/- 0.93   0.006% *  0.6453% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   45  22.56 +/- 0.42   0.001% *  0.6241% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   45  19.47 +/- 1.65   0.004% *  0.2206% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 0.867, support = 0.02, residual support = 5.82:
          QD1   ILE   89 - HN    PHE   45   6.30 +/- 1.23  65.599% * 30.6068% (0.80   0.02   7.71) =  61.139%  kept
          QG2   VAL   83 - HN    PHE   45   7.47 +/- 1.24  32.111% * 37.4664% (0.98   0.02   3.01) =  36.636%  kept
          QD2   LEU   31 - HN    PHE   45  10.83 +/- 0.68   2.290% * 31.9268% (0.84   0.02   0.02) =   2.226%  kept
    Distance limit 4.30 A violated in 17 structures by 1.29 A, eliminated.
    Peak unassigned.
 
    Peak 971 (2.42, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.1, residual support = 12.5:
          HB3   PHE   45 - HN    THR   46   3.13 +/- 0.25  99.270% * 98.4423% (1.00   4.10  12.48) =  99.997%  kept
          QE    LYS+ 112 - HN    THR   46  13.33 +/- 2.72   0.662% *  0.4800% (1.00   0.02   0.02) =   0.003%
          HB    VAL  107 - HN    THR   46  12.44 +/- 1.15   0.032% *  0.3852% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    THR   46  13.10 +/- 1.22   0.023% *  0.2157% (0.45   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    THR   46  18.93 +/- 1.07   0.002% *  0.2918% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    THR   46  15.62 +/- 0.86   0.009% *  0.0651% (0.14   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    THR   46  20.09 +/- 0.82   0.002% *  0.1200% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 8.01:
          HN    CYS   50 - HN    CYS   53   5.00 +/- 0.24  99.952% * 77.1198% (0.87  1.00   0.75   8.02) =  99.986%  kept
        T HN    VAL   83 - HN    CYS   53  18.25 +/- 1.45   0.048% * 22.8802% (0.97 10.00   0.02   0.02) =   0.014%
    Distance limit 4.71 A violated in 0 structures by 0.31 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 7.18, residual support = 54.0:
      O   HA    PRO   52 - HN    CYS   53   3.48 +/- 0.02  99.880% * 99.8358% (0.61  10.0   7.18  53.95) = 100.000%  kept
          HA    LYS+ 111 - HN    CYS   53  11.40 +/- 1.54   0.120% *  0.1642% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 44.0:
      O   HA    CYS   53 - HN    CYS   53   2.76 +/- 0.04  99.993% * 99.7036% (0.90  10.0   4.78  44.02) = 100.000%  kept
          HA    ILE   19 - HN    CYS   53  17.69 +/- 2.13   0.003% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    CYS   53  15.77 +/- 1.47   0.004% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  23.28 +/- 1.82   0.000% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  23.66 +/- 1.57   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  26.52 +/- 2.42   0.000% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  26.32 +/- 1.10   0.000% *  0.0172% (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 976 (3.96, 8.09, 110.83 ppm):
    12 chemical-shift based assignments, quality = 0.342, support = 8.16, residual support = 53.5:
          HD2   PRO   52 - HN    CYS   53   2.26 +/- 0.01  98.552% * 60.8479% (0.34   8.20  53.95) =  99.182%  kept
          HA2   GLY   51 - HN    CYS   53   4.66 +/- 0.21   1.360% * 36.3669% (0.49   3.43   0.02) =   0.818%  kept
          QB    SER   48 - HN    CYS   53   8.59 +/- 0.93   0.045% *  0.3326% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    CYS   53   9.99 +/- 1.34   0.040% *  0.2816% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HN    CYS   53  17.75 +/- 1.30   0.000% *  0.4201% (0.97   0.02   0.02) =   0.000%
          QB    SER  117 - HN    CYS   53  15.75 +/- 1.26   0.001% *  0.1085% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    CYS   53  19.64 +/- 0.99   0.000% *  0.4018% (0.92   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    CYS   53  20.21 +/- 1.44   0.000% *  0.4117% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    CYS   53  22.05 +/- 1.70   0.000% *  0.4201% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    CYS   53  17.56 +/- 1.59   0.001% *  0.0762% (0.18   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    CYS   53  22.23 +/- 1.03   0.000% *  0.2464% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  28.65 +/- 1.14   0.000% *  0.0861% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.963, support = 4.97, residual support = 44.4:
      O   HB2   CYS   53 - HN    CYS   53   2.83 +/- 0.40  80.306% * 84.8536% (0.98  10.0   4.92  44.02) =  95.893%  kept
          HD3   PRO   52 - HN    CYS   53   3.67 +/- 0.01  19.534% * 14.9398% (0.57   1.0   6.10  53.95) =   4.107%  kept
          HD2   PRO   58 - HN    CYS   53   8.25 +/- 0.71   0.158% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    CYS   53  18.85 +/- 1.62   0.001% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  24.19 +/- 1.46   0.000% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  27.88 +/- 1.25   0.000% *  0.0455% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 5.76, residual support = 44.0:
      O   HB3   CYS   53 - HN    CYS   53   2.46 +/- 0.40  95.156% * 99.5214% (0.97  10.0   5.76  44.02) =  99.995%  kept
          HD3   PRO   93 - HN    CYS   53   5.12 +/- 1.27   2.369% *  0.1029% (1.00   1.0   0.02   0.02) =   0.003%
          QB    PHE   55 - HN    CYS   53   5.07 +/- 0.35   2.235% *  0.0995% (0.97   1.0   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HN    CYS   53   7.20 +/- 0.55   0.219% *  0.0952% (0.92   1.0   0.02  31.92) =   0.000%
          HB2   PHE   59 - HN    CYS   53  10.52 +/- 0.62   0.021% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    CYS   53  22.70 +/- 2.11   0.000% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 2.94, residual support = 8.01:
          QB    CYS   50 - HN    CYS   53   4.31 +/- 0.60  96.393% * 98.0331% (0.69   2.94   8.02) =  99.973%  kept
          QE    LYS+  74 - HN    CYS   53   9.38 +/- 1.43   3.302% *  0.7055% (0.73   0.02   0.02) =   0.025%
          HB3   ASP-  78 - HN    CYS   53  12.91 +/- 2.23   0.291% *  0.8116% (0.84   0.02   0.02) =   0.002%
          HB3   HIS  122 - HN    CYS   53  20.18 +/- 1.08   0.011% *  0.1499% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   53  26.55 +/- 1.44   0.002% *  0.2999% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.11 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.2, residual support = 53.9:
          HG2   PRO   52 - HN    CYS   53   3.13 +/- 0.48  98.605% * 94.9818% (0.25   7.21  53.95) =  99.989%  kept
          HG2   MET   92 - HN    CYS   53   7.45 +/- 1.57   1.171% *  0.8080% (0.76   0.02   0.02) =   0.010%
          QG    GLU- 114 - HN    CYS   53  12.27 +/- 1.51   0.065% *  0.7263% (0.69   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    CYS   53  11.43 +/- 1.09   0.100% *  0.2636% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    CYS   53  15.40 +/- 1.70   0.014% *  0.6413% (0.61   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   53  13.32 +/- 1.31   0.030% *  0.1431% (0.14   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   53  16.11 +/- 0.92   0.009% *  0.1852% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   53  21.77 +/- 2.53   0.003% *  0.2354% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   53  21.64 +/- 1.53   0.002% *  0.3607% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   53  29.33 +/- 3.50   0.001% *  0.8466% (0.80   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    CYS   53  32.04 +/- 1.62   0.000% *  0.8080% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.83 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 = 0.968, support = 7.15, residual support = 53.6:
          HG3   PRO   52 - HN    CYS   53   3.86 +/- 0.52  68.802% * 90.6425% (0.98   7.21  53.95) =  98.435%  kept
          HB2   ARG+  54 - HN    CYS   53   5.44 +/- 0.73  11.581% *  8.3815% (0.18   3.73  31.92) =   1.532%  kept
          HB2   PRO   93 - HN    CYS   53   5.68 +/- 1.88  19.280% *  0.1055% (0.41   0.02   0.02) =   0.032%
          HG2   PRO   58 - HN    CYS   53  10.51 +/- 0.63   0.210% *  0.2516% (0.98   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    CYS   53  13.43 +/- 2.35   0.124% *  0.0347% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    CYS   53  24.57 +/- 2.41   0.001% *  0.2561% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    CYS   53  24.87 +/- 2.28   0.001% *  0.0714% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    CYS   53  32.74 +/- 3.97   0.000% *  0.2567% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 0.655, support = 7.31, residual support = 53.3:
      O   HB3   PRO   52 - HN    CYS   53   3.93 +/- 0.44  85.088% * 77.7555% (0.65  10.0   7.42  53.95) =  96.834%  kept
          HG2   ARG+  54 - HN    CYS   53   5.75 +/- 0.37  10.090% * 21.4236% (0.90   1.0   3.97  31.92) =   3.164%  kept
          HB    ILE   56 - HN    CYS   53   7.26 +/- 1.37   4.619% *  0.0238% (0.20   1.0   0.02   0.02) =   0.002%
          HB3   GLN   90 - HN    CYS   53  13.92 +/- 2.12   0.078% *  0.0826% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    CYS   53  14.03 +/- 1.41   0.067% *  0.0680% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    CYS   53  16.06 +/- 1.40   0.025% *  0.0729% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    CYS   53  19.12 +/- 1.16   0.008% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    CYS   53  21.81 +/- 1.43   0.004% *  0.1110% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    CYS   53  21.21 +/- 2.15   0.005% *  0.0778% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    CYS   53  24.04 +/- 2.88   0.003% *  0.1137% (0.95   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    CYS   53  20.62 +/- 1.39   0.005% *  0.0451% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    CYS   53  23.94 +/- 1.30   0.002% *  0.0919% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  21.07 +/- 0.99   0.004% *  0.0300% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 983 (8.05, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.777, support = 5.85, residual support = 45.7:
        T HN    GLN   32 - HN    LEU   31   2.70 +/- 0.09  96.546% * 99.2679% (0.78 10.00   5.85  45.70) =  99.999%  kept
          HN    ALA   34 - HN    LEU   31   4.75 +/- 0.17   3.413% *  0.0183% (0.14  1.00   0.02   4.90) =   0.001%
          HN    THR   94 - HN    PHE   55  10.39 +/- 1.09   0.037% *  0.0145% (0.11  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    LEU   31  16.57 +/- 1.26   0.002% *  0.1186% (0.93  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  17.34 +/- 0.79   0.001% *  0.0296% (0.23  1.00   0.02   0.02) =   0.000%
        T HN    GLN   32 - HN    PHE   55  28.25 +/- 1.00   0.000% *  0.4843% (0.38 10.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  21.52 +/- 1.38   0.000% *  0.0578% (0.45  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  27.20 +/- 1.04   0.000% *  0.0089% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.53, support = 7.14, residual support = 50.9:
        T HN    GLN   30 - HN    LEU   31   2.50 +/- 0.09  96.535% * 79.7718% (0.53 10.00   7.18  51.36) =  99.128%  kept
          HN    GLU-  29 - HN    LEU   31   4.37 +/- 0.19   3.459% * 19.5778% (0.91  1.00   2.84   0.02) =   0.872%  kept
          HN    ASP-  86 - HN    LEU   31  15.21 +/- 1.42   0.002% *  0.0911% (0.60  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    LEU   31  15.76 +/- 0.77   0.002% *  0.0392% (0.26  1.00   0.02   0.02) =   0.000%
        T HN    GLN   30 - HN    PHE   55  25.37 +/- 1.11   0.000% *  0.3891% (0.26 10.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  16.03 +/- 1.15   0.002% *  0.0191% (0.13  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  22.16 +/- 1.32   0.000% *  0.0445% (0.29  1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  26.77 +/- 1.07   0.000% *  0.0674% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 3.25, residual support = 20.5:
      O   HA    PHE   55 - HN    PHE   55   2.82 +/- 0.06  94.350% * 99.0930% (0.48  10.0   3.25  20.51) =  99.998%  kept
          HA    TRP   27 - HN    LEU   31   4.63 +/- 0.33   5.276% *  0.0276% (0.13   1.0   0.02  11.77) =   0.002%
          HA    ALA  110 - HN    PHE   55   9.34 +/- 3.23   0.349% *  0.1465% (0.71   1.0   0.02   0.18) =   0.001%
          HA    ALA   91 - HN    PHE   55  13.32 +/- 1.81   0.012% *  0.0672% (0.33   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    PHE   55  13.74 +/- 1.15   0.008% *  0.0925% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    PHE   55  16.65 +/- 1.32   0.002% *  0.1308% (0.64   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LEU   31  20.15 +/- 0.92   0.001% *  0.0991% (0.48   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  20.91 +/- 0.91   0.001% *  0.0701% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  21.61 +/- 1.34   0.001% *  0.0509% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  25.16 +/- 2.40   0.000% *  0.1110% (0.54   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  22.19 +/- 0.93   0.000% *  0.0364% (0.18   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  27.10 +/- 0.99   0.000% *  0.0751% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 20.5:
      O   QB    PHE   55 - HN    PHE   55   2.08 +/- 0.14  99.153% * 99.1124% (0.79  10.0   2.90  20.51) =  99.999%  kept
          HD2   ARG+  54 - HN    PHE   55   5.36 +/- 0.52   0.452% *  0.0867% (0.69   1.0   0.02   3.47) =   0.000%
          HB3   CYS   53 - HN    PHE   55   5.56 +/- 0.24   0.307% *  0.0923% (0.73   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   55   7.73 +/- 1.13   0.061% *  0.0998% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    PHE   55   8.50 +/- 0.71   0.027% *  0.0835% (0.66   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    LEU   31  18.68 +/- 1.26   0.000% *  0.0757% (0.60   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  21.47 +/- 1.97   0.000% *  0.1000% (0.79   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  21.60 +/- 1.27   0.000% *  0.0699% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  21.75 +/- 1.85   0.000% *  0.0633% (0.50   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  22.36 +/- 0.86   0.000% *  0.0756% (0.60   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  23.66 +/- 1.21   0.000% *  0.0751% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  27.79 +/- 1.46   0.000% *  0.0657% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 0.34, support = 3.37, residual support = 8.37:
      O   HA    ARG+  54 - HN    PHE   55   3.55 +/- 0.04  37.644% * 71.6775% (0.25  10.0   3.26   3.47) =  63.077%  kept
          HA    ASN   28 - HN    LEU   31   3.27 +/- 0.15  60.323% * 26.1781% (0.50   1.0   3.56  16.75) =  36.916%  kept
          HA    THR   26 - HN    LEU   31   6.42 +/- 0.50   1.166% *  0.1138% (0.39   1.0   0.02   0.02) =   0.003%
          HA    ALA   34 - HN    LEU   31   7.25 +/- 0.21   0.521% *  0.1698% (0.58   1.0   0.02   4.90) =   0.002%
          HA1   GLY  101 - HN    LEU   31  10.71 +/- 3.10   0.295% *  0.1755% (0.60   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    PHE   55  11.72 +/- 1.08   0.037% *  0.2014% (0.69   1.0   0.02   1.52) =   0.000%
          HA    GLU- 114 - HN    PHE   55  14.18 +/- 1.29   0.011% *  0.2197% (0.75   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   31  21.99 +/- 1.51   0.001% *  0.1526% (0.52   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    PHE   55  25.74 +/- 0.88   0.000% *  0.1940% (0.66   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   31  25.65 +/- 1.30   0.000% *  0.1664% (0.57   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    PHE   55  25.59 +/- 1.50   0.000% *  0.1502% (0.51   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    PHE   55  27.24 +/- 1.04   0.000% *  0.2241% (0.77   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    PHE   55  27.92 +/- 2.20   0.000% *  0.2317% (0.79   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  24.48 +/- 1.19   0.000% *  0.0543% (0.19   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  25.52 +/- 5.26   0.000% *  0.0392% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  24.67 +/- 1.83   0.000% *  0.0517% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 7.19, residual support = 231.6:
      O   HA    LEU   31 - HN    LEU   31   2.78 +/- 0.03 100.000% * 99.9512% (0.60  10.0   7.19 231.60) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  25.76 +/- 0.95   0.000% *  0.0488% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.503, support = 5.92, residual support = 43.2:
          HB2   GLN   30 - HN    LEU   31   3.53 +/- 0.43  44.498% * 34.3221% (0.48   6.10  51.36) =  50.626%  kept
          HG3   GLN   30 - HN    LEU   31   4.55 +/- 1.16  20.037% * 48.8375% (0.60   7.01  51.36) =  32.438%  kept
          HB2   ARG+  54 - HN    PHE   55   3.55 +/- 0.14  34.630% * 14.7528% (0.39   3.27   3.47) =  16.935%  kept
          HB2   PRO   93 - HN    PHE   55   7.88 +/- 1.66   0.663% *  0.0413% (0.18   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    LEU   31  12.41 +/- 2.13   0.029% *  0.1219% (0.52   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    PHE   55  11.77 +/- 1.31   0.031% *  0.1050% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   31  10.15 +/- 0.54   0.061% *  0.0434% (0.19   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    PHE   55  13.78 +/- 1.47   0.014% *  0.1486% (0.64   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   55  14.25 +/- 1.88   0.012% *  0.1050% (0.45   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU   31  14.19 +/- 1.87   0.011% *  0.0684% (0.29   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   55  17.65 +/- 1.65   0.003% *  0.0903% (0.39   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LEU   31  18.86 +/- 1.51   0.002% *  0.1219% (0.52   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU   31  17.00 +/- 0.62   0.003% *  0.0684% (0.29   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    PHE   55  23.10 +/- 1.75   0.001% *  0.1839% (0.79   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    PHE   55  23.32 +/- 2.01   0.001% *  0.1609% (0.69   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LEU   31  22.77 +/- 2.56   0.001% *  0.1125% (0.48   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    PHE   55  23.48 +/- 1.23   0.000% *  0.1486% (0.64   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   55  21.52 +/- 1.57   0.001% *  0.0903% (0.39   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LEU   31  21.49 +/- 1.32   0.001% *  0.0796% (0.34   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  19.74 +/- 1.16   0.001% *  0.0313% (0.13   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  26.12 +/- 1.75   0.000% *  0.0573% (0.25   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  30.57 +/- 1.22   0.000% *  0.1609% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  27.54 +/- 2.03   0.000% *  0.0796% (0.34   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  26.78 +/- 1.35   0.000% *  0.0684% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 7.19, residual support = 231.6:
      O   HB2   LEU   31 - HN    LEU   31   2.49 +/- 0.21  99.611% * 98.5368% (0.78  10.0   7.19 231.60) = 100.000%  kept
          HB3   PRO   93 - HN    PHE   55   7.18 +/- 1.24   0.301% *  0.0418% (0.33   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   31  10.49 +/- 1.16   0.026% *  0.1023% (0.81   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   31  12.17 +/- 0.77   0.009% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    PHE   55  11.63 +/- 0.97   0.012% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   55  12.43 +/- 1.47   0.010% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   31  14.40 +/- 0.86   0.003% *  0.1177% (0.93   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   31  12.19 +/- 0.53   0.008% *  0.0443% (0.35   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   31  13.38 +/- 1.40   0.006% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   31  14.29 +/- 0.88   0.003% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    PHE   55  13.54 +/- 0.60   0.004% *  0.0570% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   31  18.10 +/- 1.71   0.001% *  0.1169% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  15.40 +/- 1.17   0.002% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   31  22.21 +/- 4.38   0.000% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  19.99 +/- 1.08   0.000% *  0.0857% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  17.23 +/- 1.22   0.001% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  19.81 +/- 0.94   0.000% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  20.77 +/- 1.78   0.000% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  21.53 +/- 1.40   0.000% *  0.0499% (0.39   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  18.77 +/- 1.29   0.001% *  0.0114% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  27.98 +/- 2.54   0.000% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  26.95 +/- 0.92   0.000% *  0.0481% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  27.22 +/- 1.08   0.000% *  0.0280% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  32.22 +/- 0.87   0.000% *  0.0216% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 7.19, residual support = 231.6:
      O   HB3   LEU   31 - HN    LEU   31   3.51 +/- 0.06  96.455% * 99.4260% (0.83  10.0   7.19 231.60) =  99.999%  kept
          HD3   LYS+ 112 - HN    PHE   55   8.55 +/- 1.97   2.095% *  0.0167% (0.14   1.0   0.02   0.23) =   0.000%
          QG1   VAL   24 - HN    LEU   31   8.12 +/- 0.95   0.874% *  0.0247% (0.21   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LEU   31  11.10 +/- 0.64   0.105% *  0.0994% (0.83   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    PHE   55   9.33 +/- 1.12   0.390% *  0.0167% (0.14   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    PHE   55  13.04 +/- 1.18   0.043% *  0.0499% (0.42   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    PHE   55  15.15 +/- 1.70   0.020% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    LEU   31  20.46 +/- 2.69   0.003% *  0.1023% (0.86   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    LEU   31  17.71 +/- 0.84   0.006% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    LEU   31  23.37 +/- 3.11   0.001% *  0.0583% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  20.74 +/- 1.37   0.002% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  19.46 +/- 1.42   0.004% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  26.78 +/- 0.97   0.000% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  27.11 +/- 2.42   0.001% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (0.79, 7.85, 118.81 ppm):
    10 chemical-shift based assignments, quality = 0.631, support = 7.26, residual support = 218.4:
          HG    LEU   31 - HN    LEU   31   2.91 +/- 0.65  80.549% * 61.8641% (0.64   7.53 231.60) =  93.845%  kept
          QD1   ILE   56 - HN    PHE   55   4.74 +/- 1.08  13.130% * 19.9034% (0.45   3.44  20.43) =   4.921%  kept
          QD2   LEU   73 - HN    LEU   31   5.78 +/- 1.09   3.733% * 17.5110% (0.78   1.75   3.24) =   1.231%  kept
          QG1   VAL   41 - HN    LEU   31   5.60 +/- 0.63   2.581% *  0.0419% (0.16   0.02   0.02) =   0.002%
          QD1   ILE   56 - HN    LEU   31  19.52 +/- 1.46   0.001% *  0.2371% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    PHE   55  16.98 +/- 0.67   0.003% *  0.0975% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   31  22.62 +/- 2.81   0.001% *  0.1643% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    PHE   55  20.61 +/- 1.29   0.001% *  0.0801% (0.31   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    PHE   55  24.83 +/- 0.89   0.000% *  0.0801% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  20.25 +/- 0.75   0.001% *  0.0204% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.07 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.94, residual support = 231.6:
          QD2   LEU   31 - HN    LEU   31   2.24 +/- 0.62  99.608% * 97.7641% (0.18   6.94 231.60) =  99.994%  kept
          QG2   VAL   43 - HN    LEU   31   7.08 +/- 0.78   0.387% *  1.4105% (0.92   0.02   0.02) =   0.006%
          QG2   VAL   43 - HN    PHE   55  14.80 +/- 0.91   0.005% *  0.6881% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   31 - HN    PHE   55  19.97 +/- 0.82   0.001% *  0.1374% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 2.02, residual support = 3.24:
          QD1   LEU   73 - HN    LEU   31   4.42 +/- 0.89  88.108% * 90.8797% (0.60   2.02   3.24) =  99.863%  kept
          QD2   LEU   80 - HN    LEU   31   8.55 +/- 0.74   3.344% *  1.3420% (0.90   0.02   0.02) =   0.056%
          QG1   VAL   83 - HN    LEU   31   8.72 +/- 0.91   3.685% *  0.8996% (0.60   0.02   0.02) =   0.041%
          QD2   LEU  115 - HN    PHE   55   8.67 +/- 1.27   3.706% *  0.6417% (0.43   0.02   1.52) =   0.030%
          QD1   LEU  104 - HN    LEU   31  13.20 +/- 1.18   0.249% *  1.3783% (0.92   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    PHE   55  11.11 +/- 0.64   0.662% *  0.4388% (0.29   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    LEU   31  15.08 +/- 2.18   0.077% *  0.8996% (0.60   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   31  18.65 +/- 2.29   0.034% *  1.3155% (0.88   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    PHE   55  16.57 +/- 1.23   0.050% *  0.6547% (0.44   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    PHE   55  17.42 +/- 0.77   0.039% *  0.4388% (0.29   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    PHE   55  18.15 +/- 1.40   0.031% *  0.4388% (0.29   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    PHE   55  20.56 +/- 1.31   0.014% *  0.6724% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 3 structures by 0.29 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.668, support = 8.02, residual support = 50.9:
          HB3   GLN   30 - HN    LEU   31   3.20 +/- 0.50  88.052% * 87.8774% (0.68   8.08  51.36) =  98.500%  kept
          HB    ILE   56 - HN    PHE   55   5.25 +/- 0.86  11.366% * 10.3583% (0.17   3.78  20.43) =   1.499%  kept
          HB3   PRO   58 - HN    PHE   55   8.99 +/- 0.85   0.301% *  0.1432% (0.44   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    PHE   55  10.59 +/- 1.74   0.205% *  0.1267% (0.39   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   31  13.14 +/- 0.28   0.022% *  0.1576% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    LEU   31  12.67 +/- 1.25   0.032% *  0.0462% (0.14   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   31  16.48 +/- 2.14   0.009% *  0.1124% (0.35   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   31  21.14 +/- 3.32   0.002% *  0.1695% (0.53   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   31  22.61 +/- 1.45   0.001% *  0.2598% (0.81   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  16.20 +/- 1.15   0.007% *  0.0225% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   31  24.53 +/- 0.79   0.001% *  0.2935% (0.91   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   31  23.51 +/- 1.60   0.001% *  0.1124% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  23.52 +/- 1.18   0.001% *  0.1061% (0.33   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  24.49 +/- 2.21   0.001% *  0.0548% (0.17   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  32.88 +/- 3.97   0.000% *  0.0827% (0.26   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  31.06 +/- 1.03   0.000% *  0.0769% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.05 A, kept.
 
    Peak 996 (2.72, 7.85, 118.81 ppm):
    6 chemical-shift based assignments, quality = 0.519, support = 6.57, residual support = 46.7:
          HG2   GLN   30 - HN    LEU   31   4.38 +/- 0.85  65.840% * 76.7146% (0.49   7.36  51.36) =  86.574%  kept
          HB3   ASN   28 - HN    LEU   31   5.03 +/- 0.19  34.120% * 22.9560% (0.71   1.52  16.75) =  13.426%  kept
          QE    LYS+ 121 - HN    LEU   31  20.60 +/- 3.29   0.014% *  0.0536% (0.13   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    PHE   55  18.31 +/- 1.69   0.021% *  0.0262% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    PHE   55  23.69 +/- 1.14   0.003% *  0.1017% (0.24   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    PHE   55  27.77 +/- 0.85   0.001% *  0.1478% (0.35   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.08 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.639, support = 6.59, residual support = 51.4:
      O   HA    GLN   30 - HN    LEU   31   3.59 +/- 0.04  86.546% * 98.9089% (0.64  10.0   6.59  51.36) =  99.995%  kept
          HB2   CYS   53 - HN    PHE   55   5.15 +/- 0.21  10.057% *  0.0195% (0.13   1.0   0.02   0.02) =   0.002%
          HD3   PRO   52 - HN    PHE   55   6.39 +/- 0.23   2.774% *  0.0537% (0.35   1.0   0.02   0.38) =   0.002%
          HB    THR   39 - HN    LEU   31   9.35 +/- 0.63   0.307% *  0.1046% (0.68   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   31   9.91 +/- 0.68   0.211% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   31  13.91 +/- 1.48   0.032% *  0.1411% (0.91   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   31  16.43 +/- 2.86   0.021% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    PHE   55  16.16 +/- 1.39   0.012% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  14.01 +/- 1.13   0.028% *  0.0156% (0.10   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   31  18.72 +/- 1.61   0.005% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  21.08 +/- 1.57   0.002% *  0.0321% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  21.91 +/- 1.29   0.002% *  0.0400% (0.26   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  24.31 +/- 1.34   0.001% *  0.0689% (0.44   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  26.43 +/- 1.19   0.001% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  25.57 +/- 1.96   0.001% *  0.0537% (0.35   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  25.82 +/- 1.29   0.001% *  0.0483% (0.31   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  26.01 +/- 1.13   0.001% *  0.0510% (0.33   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  29.38 +/- 1.23   0.000% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 6.4, residual support = 166.7:
      O   HA    ARG+  54 - HN    ARG+  54   2.75 +/- 0.04  99.891% * 99.0002% (0.61  10.0   6.40 166.74) = 100.000%  kept
          HA    LEU  115 - HN    ARG+  54  13.33 +/- 0.93   0.009% *  0.1527% (0.94   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASP-  62  10.50 +/- 1.36   0.046% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASP-  62  10.37 +/- 0.92   0.039% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ARG+  54  16.13 +/- 1.25   0.003% *  0.0990% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  14.44 +/- 1.15   0.005% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  16.48 +/- 1.54   0.003% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  17.98 +/- 1.27   0.001% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ARG+  54  24.70 +/- 0.82   0.000% *  0.1530% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  19.50 +/- 1.00   0.001% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  26.95 +/- 1.00   0.000% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  27.83 +/- 2.29   0.000% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  26.18 +/- 1.47   0.000% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  24.20 +/- 1.68   0.000% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  21.97 +/- 0.76   0.000% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  23.25 +/- 1.86   0.000% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  21.44 +/- 1.08   0.000% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  23.00 +/- 0.98   0.000% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 3.99, residual support = 74.7:
      O   HB2   TRP   49 - HN    TRP   49   3.60 +/- 0.05  99.930% * 99.6106% (0.98  10.0   3.99  74.74) = 100.000%  kept
          HA    ALA   84 - HN    TRP   49  13.56 +/- 1.29   0.043% *  0.1007% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    TRP   49  16.23 +/- 2.82   0.024% *  0.0911% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    TRP   49  22.37 +/- 1.05   0.002% *  0.0961% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    TRP   49  23.51 +/- 1.11   0.001% *  0.1014% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.51 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   2.70 +/- 0.88  99.969% * 98.5650% (1.00   2.55  16.03) = 100.000%  kept
          HG2   LYS+ 112 - HE1   TRP   49  14.51 +/- 2.85   0.020% *  0.5328% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   42 - HE1   TRP   49  15.51 +/- 1.29   0.007% *  0.7486% (0.97   0.02   0.02) =   0.000%
          QB    ALA   64 - HE1   TRP   49  16.92 +/- 1.01   0.005% *  0.1535% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.75, residual support = 16.0:
          QB    ALA   47 - HN    TRP   49   2.76 +/- 0.28  99.991% * 99.0197% (1.00   3.75  16.03) = 100.000%  kept
          QG1   VAL   42 - HN    TRP   49  15.88 +/- 0.66   0.003% *  0.5114% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    TRP   49  16.81 +/- 2.79   0.003% *  0.3640% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    TRP   49  16.61 +/- 0.79   0.002% *  0.1049% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 0.788, support = 0.0607, residual support = 0.0199:
          HB2   CYS   53 - HN    ALA   47   3.90 +/- 0.47  94.070% * 11.4409% (0.90   0.02   0.02) =  77.881%  kept
          HD3   PRO   52 - HN    ALA   47   6.73 +/- 0.92   5.585% * 54.1082% (0.41   0.21   0.02) =  21.869%  kept
          HD2   PRO   58 - HN    ALA   47  10.58 +/- 0.79   0.301% * 10.2150% (0.80   0.02   0.02) =   0.222%
          HA    VAL   83 - HN    ALA   47  15.26 +/- 1.49   0.037% *  9.2635% (0.73   0.02   0.02) =   0.025%
          HA    GLN   30 - HN    ALA   47  20.78 +/- 1.09   0.005% *  6.2095% (0.49   0.02   0.02) =   0.002%
          HA    GLU- 100 - HN    ALA   47  25.76 +/- 1.16   0.001% *  8.7629% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.35 A violated in 0 structures by 0.03 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   2.61 +/- 0.23  99.375% * 99.4473% (0.87  10.0   3.03  37.77) =  99.999%  kept
          HB3   PHE   72 - HN    ASP-  44   6.44 +/- 0.62   0.573% *  0.0876% (0.76   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ASP-  44  13.70 +/- 1.99   0.015% *  0.1085% (0.95   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  44  12.09 +/- 1.88   0.017% *  0.0391% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP-  44  13.60 +/- 1.02   0.006% *  0.0788% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  44  15.00 +/- 1.73   0.004% *  0.0958% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ASP-  44  13.54 +/- 1.12   0.008% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ASP-  44  21.57 +/- 2.62   0.001% *  0.1028% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  19.38 +/- 0.84   0.001% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (1.70, 8.78, 123.55 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 2.71, residual support = 7.11:
          HB2   LEU   73 - HN    ASP-  44   4.60 +/- 0.65  96.002% * 95.6223% (0.87   2.71   7.11) =  99.980%  kept
          QG1   ILE   56 - HN    ASP-  44  10.23 +/- 1.37   1.394% *  0.4939% (0.61   0.02   0.02) =   0.007%
          QD    LYS+ 106 - HN    ASP-  44  11.68 +/- 1.36   0.615% *  0.7981% (0.98   0.02   0.02) =   0.005%
          HB3   MET   92 - HN    ASP-  44  12.37 +/- 0.61   0.319% *  0.5912% (0.73   0.02   0.02) =   0.002%
          HG3   PRO   93 - HN    ASP-  44  11.35 +/- 0.93   0.521% *  0.2513% (0.31   0.02   0.02) =   0.001%
          QD    LYS+  99 - HN    ASP-  44  14.28 +/- 0.90   0.151% *  0.8070% (0.99   0.02   0.02) =   0.001%
          HB    ILE   89 - HN    ASP-  44  10.91 +/- 0.50   0.672% *  0.1256% (0.15   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    ASP-  44  14.19 +/- 0.67   0.135% *  0.3963% (0.49   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ASP-  44  19.20 +/- 2.23   0.075% *  0.4939% (0.61   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ASP-  44  18.30 +/- 2.70   0.042% *  0.2777% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ASP-  44  15.73 +/- 1.09   0.073% *  0.1426% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 2 structures by 0.35 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.583, support = 1.25, residual support = 6.06:
          HB2   LYS+  74 - HN    ASP-  44   5.81 +/- 0.41  63.650% * 61.9991% (0.65   1.22   6.08) =  82.860%  kept
          HD3   LYS+  74 - HN    ASP-  44   6.86 +/- 0.78  26.415% * 30.3936% (0.28   1.39   6.08) =  16.858%  kept
          QG2   THR   26 - HN    ASP-  44   8.69 +/- 0.92   8.261% *  1.4065% (0.90   0.02   0.02) =   0.244%
          HG2   LYS+  65 - HN    ASP-  44  13.79 +/- 1.80   0.476% *  1.4836% (0.95   0.02   0.02) =   0.015%
          QD    LYS+  66 - HN    ASP-  44  15.27 +/- 1.43   0.231% *  1.4065% (0.90   0.02   0.02) =   0.007%
          HD2   LYS+ 121 - HN    ASP-  44  16.18 +/- 2.12   0.195% *  1.5373% (0.98   0.02   0.02) =   0.006%
          HG    LEU  104 - HN    ASP-  44  13.74 +/- 0.84   0.411% *  0.6448% (0.41   0.02   0.02) =   0.006%
          HB3   LYS+ 121 - HN    ASP-  44  16.04 +/- 2.12   0.190% *  0.6448% (0.41   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HN    ASP-  44  16.74 +/- 1.99   0.170% *  0.4841% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.62 A violated in 11 structures by 0.86 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.7, residual support = 37.8:
      O   HB3   ASP-  44 - HN    ASP-  44   3.43 +/- 0.37  98.404% * 99.1884% (0.99  10.0   3.70  37.77) =  99.999%  kept
          HB2   LEU   63 - HN    ASP-  44   9.86 +/- 1.52   0.386% *  0.0947% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ASP-  44   9.17 +/- 0.95   0.358% *  0.0836% (0.84   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  44   9.46 +/- 1.29   0.300% *  0.0947% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ASP-  44   9.79 +/- 0.75   0.222% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ASP-  44  10.32 +/- 0.51   0.144% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ASP-  44  12.53 +/- 0.73   0.053% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP-  44  11.97 +/- 1.00   0.078% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  44  18.31 +/- 2.47   0.014% *  0.0647% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  44  18.67 +/- 2.46   0.006% *  0.0992% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  44  15.63 +/- 0.87   0.012% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  17.09 +/- 1.61   0.011% *  0.0198% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  16.96 +/- 1.29   0.008% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  19.08 +/- 0.38   0.004% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.08 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   3.99 +/- 0.69  79.807% * 97.7624% (0.90   4.17  15.39) =  99.870%  kept
          QG2   VAL   18 - HN    ASP-  44   6.54 +/- 1.06   9.564% *  0.5212% (1.00   0.02   0.02) =   0.064%
          QG2   THR   46 - HN    ASP-  44   6.29 +/- 0.67   8.587% *  0.5177% (0.99   0.02   0.02) =   0.057%
          QG1   VAL   41 - HN    ASP-  44   8.89 +/- 0.53   0.843% *  0.3793% (0.73   0.02   0.02) =   0.004%
          QD1   ILE   19 - HN    ASP-  44   9.18 +/- 0.81   0.789% *  0.3992% (0.76   0.02   0.02) =   0.004%
          HG    LEU   31 - HN    ASP-  44  10.50 +/- 0.78   0.318% *  0.1034% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ASP-  44  12.94 +/- 0.70   0.092% *  0.3168% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.13 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   3.10 +/- 0.41  98.024% * 99.0026% (0.65   3.71  15.39) =  99.993%  kept
          QD2   LEU   31 - HN    ASP-  44   7.91 +/- 0.80   0.622% *  0.6309% (0.76   0.02   0.02) =   0.004%
          QG2   VAL   83 - HN    ASP-  44   7.37 +/- 0.69   0.805% *  0.2548% (0.31   0.02   0.02) =   0.002%
          QD1   ILE   89 - HN    ASP-  44   8.30 +/- 1.67   0.550% *  0.1117% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.45 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.518, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    VAL   43   8.09 +/- 0.15  92.304% * 36.5033% (0.53   0.02   0.02) =  94.736%  kept
          HA    THR   23 - HN    VAL   43  12.87 +/- 1.17   6.612% * 21.4145% (0.31   0.02   0.02) =   3.981%  kept
          HA    ASP-  78 - HN    VAL   43  17.06 +/- 0.64   1.084% * 42.0822% (0.61   0.02   0.02) =   1.283%  kept
    Distance limit 4.52 A violated in 20 structures by 3.47 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   4.69 +/- 0.35 100.000% *100.0000% (0.53   1.50  16.41) = 100.000%  kept
    Distance limit 4.52 A violated in 0 structures by 0.23 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   3.08 +/- 0.57  99.430% * 97.4132% (0.97   2.96  16.41) =  99.998%  kept
          HB    VAL   70 - HN    VAL   43   9.29 +/- 0.45   0.197% *  0.6123% (0.90   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    VAL   43   8.91 +/- 1.00   0.296% *  0.1898% (0.28   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    VAL   43  13.63 +/- 0.98   0.024% *  0.5702% (0.84   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    VAL   43  13.70 +/- 1.24   0.026% *  0.3865% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    VAL   43  13.91 +/- 0.57   0.020% *  0.3323% (0.49   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   43  16.03 +/- 0.75   0.008% *  0.4957% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 59.9:
      O   HB    VAL   43 - HN    VAL   43   2.95 +/- 0.45  99.876% * 99.7821% (0.87  10.0   4.23  59.93) = 100.000%  kept
          HB2   LYS+  99 - HN    VAL   43  10.45 +/- 0.84   0.077% *  0.0879% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    VAL   43  11.87 +/- 0.59   0.034% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    VAL   43  16.64 +/- 0.99   0.004% *  0.0921% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   43  15.05 +/- 0.86   0.009% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (1.37, 9.16, 125.94 ppm):
    15 chemical-shift based assignments, quality = 0.811, support = 4.87, residual support = 33.4:
          HB    VAL   42 - HN    VAL   43   4.54 +/- 0.07  44.212% * 61.4547% (0.84   5.45  38.27) =  85.068%  kept
          HB3   LEU   73 - HN    VAL   43   6.40 +/- 1.29  12.503% * 20.4952% (0.90   1.69   8.35) =   8.023%  kept
          HG    LEU   98 - HN    VAL   43   5.60 +/- 1.09  20.694% *  8.0503% (0.49   1.23   0.02) =   5.216%  kept
          HB3   ASP-  44 - HN    VAL   43   6.43 +/- 0.39   5.795% *  7.4878% (0.25   2.22  15.39) =   1.359%  kept
          QB    LEU   98 - HN    VAL   43   5.80 +/- 0.89  14.410% *  0.7123% (0.18   0.30   0.02) =   0.321%
          HG3   LYS+ 106 - HN    VAL   43   8.65 +/- 0.90   1.117% *  0.2694% (1.00   0.02   0.02) =   0.009%
          HB3   PRO   93 - HN    VAL   43  11.29 +/- 0.75   0.198% *  0.1747% (0.65   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    VAL   43   9.92 +/- 1.42   0.663% *  0.0473% (0.18   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    VAL   43  11.79 +/- 0.74   0.154% *  0.1638% (0.61   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    VAL   43  13.09 +/- 1.08   0.090% *  0.2493% (0.92   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    VAL   43  13.38 +/- 0.74   0.073% *  0.2064% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   43  15.68 +/- 1.46   0.032% *  0.2255% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   43  17.48 +/- 1.45   0.017% *  0.2606% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    VAL   43  16.87 +/- 3.17   0.029% *  0.1013% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   43  18.58 +/- 2.11   0.013% *  0.1013% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 5.05, residual support = 59.9:
          QG1   VAL   43 - HN    VAL   43   2.47 +/- 0.65  98.585% * 98.1440% (0.90   5.05  59.93) =  99.996%  kept
          QG1   VAL   41 - HN    VAL   43   6.38 +/- 0.32   0.990% *  0.3146% (0.73   0.02   1.58) =   0.003%
          QG2   VAL   18 - HN    VAL   43   9.03 +/- 0.82   0.103% *  0.4323% (1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   43   9.65 +/- 0.71   0.064% *  0.4294% (0.99   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   43   9.32 +/- 0.75   0.093% *  0.2628% (0.61   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   43  10.86 +/- 0.97   0.039% *  0.3311% (0.76   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   43   9.19 +/- 0.79   0.126% *  0.0857% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1016 (0.56, 9.16, 125.94 ppm):
    8 chemical-shift based assignments, quality = 0.71, support = 2.11, residual support = 1.89:
          QG2   VAL   41 - HN    VAL   43   4.81 +/- 0.67  29.782% * 89.0910% (0.73   2.22   1.58) =  94.124%  kept
          QD1   LEU   73 - HN    VAL   43   5.35 +/- 0.85  17.193% *  7.8084% (0.45   0.32   8.35) =   4.763%  kept
          QD2   LEU   98 - HN    VAL   43   4.69 +/- 1.19  43.808% *  0.5805% (0.53   0.02   0.02) =   0.902%  kept
          QD2   LEU   63 - HN    VAL   43   8.26 +/- 2.17   3.051% *  1.0815% (0.98   0.02   0.02) =   0.117%
          QD1   LEU   63 - HN    VAL   43   7.57 +/- 1.99   4.450% *  0.4947% (0.45   0.02   0.02) =   0.078%
          QD1   LEU   80 - HN    VAL   43  10.27 +/- 1.10   0.344% *  0.5805% (0.53   0.02   0.02) =   0.007%
          QD2   LEU  115 - HN    VAL   43  10.28 +/- 2.30   0.643% *  0.1932% (0.18   0.02   0.02) =   0.004%
          QD2   LEU   80 - HN    VAL   43   9.08 +/- 1.00   0.728% *  0.1702% (0.15   0.02   0.02) =   0.004%
    Distance limit 4.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.13, residual support = 38.3:
          QG1   VAL   42 - HN    VAL   43   3.05 +/- 0.21  99.722% * 99.2449% (0.97   5.13  38.27) = 100.000%  kept
          QB    ALA   64 - HN    VAL   43   8.55 +/- 0.86   0.249% *  0.0794% (0.20   0.02   0.02) =   0.000%
          QB    ALA   47 - HN    VAL   43  12.88 +/- 0.51   0.022% *  0.4002% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   43  16.48 +/- 2.03   0.008% *  0.2755% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.839, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HN    VAL   43   6.83 +/- 0.71  55.873% * 27.6841% (0.73   0.02   0.02) =  49.287%  kept
          QG2   VAL   83 - HN    VAL   43   8.25 +/- 0.77  21.045% * 38.1246% (1.00   0.02   0.02) =  25.566%  kept
          QD1   ILE   89 - HN    VAL   43   8.41 +/- 1.50  23.082% * 34.1913% (0.90   0.02   0.02) =  25.147%  kept
    Distance limit 4.00 A violated in 20 structures by 2.12 A, eliminated.
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.659, support = 4.81, residual support = 16.0:
          HB    VAL   41 - HN    VAL   42   3.99 +/- 0.35  17.377% * 85.6188% (0.97   5.65  22.98) =  58.827%  kept
          HB2   LEU   71 - HN    VAL   42   2.93 +/- 0.42  82.357% * 12.6434% (0.22   3.62   6.01) =  41.172%  kept
          HG12  ILE  103 - HN    VAL   42   9.75 +/- 0.99   0.084% *  0.3139% (1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    VAL   42  11.85 +/- 1.13   0.025% *  0.2622% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   42  11.28 +/- 0.74   0.032% *  0.1071% (0.34   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    VAL   42  10.66 +/- 1.22   0.057% *  0.0484% (0.15   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   42  16.34 +/- 3.71   0.007% *  0.2815% (0.90   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL   42  11.69 +/- 0.53   0.025% *  0.0621% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL   42  12.51 +/- 1.78   0.018% *  0.0699% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   42  12.97 +/- 0.34   0.014% *  0.0783% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   42  16.97 +/- 1.17   0.003% *  0.1777% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   42  20.93 +/- 1.09   0.001% *  0.2815% (0.90   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL   42  20.91 +/- 1.29   0.001% *  0.0550% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 5.55, residual support = 87.3:
      O   HB    VAL   42 - HN    VAL   42   2.44 +/- 0.12  96.854% * 99.1706% (0.98  10.0   5.55  87.33) =  99.998%  kept
          HB3   LEU   73 - HN    VAL   42   5.74 +/- 1.01   1.478% *  0.0957% (0.95   1.0   0.02   1.55) =   0.001%
          QB    LEU   98 - HN    VAL   42   5.56 +/- 0.71   1.024% *  0.0573% (0.57   1.0   0.02   0.62) =   0.001%
          HG    LEU   98 - HN    VAL   42   6.65 +/- 1.08   0.568% *  0.0137% (0.14   1.0   0.02   0.62) =   0.000%
          HG3   LYS+  33 - HN    VAL   42   9.73 +/- 0.72   0.028% *  0.1009% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    VAL   42  11.62 +/- 0.73   0.010% *  0.0773% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   42  10.51 +/- 0.64   0.017% *  0.0312% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    VAL   42  13.34 +/- 0.95   0.004% *  0.0934% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   42  14.81 +/- 1.07   0.002% *  0.0992% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   42  15.97 +/- 2.09   0.002% *  0.0845% (0.84   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   42  15.09 +/- 2.97   0.004% *  0.0281% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  13.81 +/- 0.75   0.003% *  0.0177% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  14.41 +/- 0.75   0.003% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  14.81 +/- 1.12   0.002% *  0.0225% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   42  20.33 +/- 1.50   0.000% *  0.0878% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.912, residual support = 1.24:
          QD1   LEU   40 - HN    VAL   42   4.00 +/- 0.70  98.920% * 97.2006% (0.98   0.91   1.24) =  99.981%  kept
          QD2   LEU   67 - HN    VAL   42   9.31 +/- 1.37   1.013% *  1.7410% (0.80   0.02   0.02) =   0.018%
          QG1   VAL  108 - HN    VAL   42  14.81 +/- 0.68   0.067% *  1.0583% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.48 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.811, support = 4.76, residual support = 30.6:
          QG1   VAL   41 - HN    VAL   42   4.17 +/- 0.33  48.053% * 50.0155% (0.73   5.30  22.98) =  50.082%  kept
          QG1   VAL   43 - HN    VAL   42   4.36 +/- 1.00  48.819% * 49.0600% (0.90   4.21  38.27) =  49.909%  kept
          QG2   VAL   18 - HN    VAL   42   8.95 +/- 0.70   0.521% *  0.2593% (1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HN    VAL   42   9.00 +/- 1.16   0.573% *  0.1986% (0.76   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    VAL   42   7.76 +/- 0.84   1.536% *  0.0514% (0.20   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    VAL   42   9.47 +/- 0.78   0.401% *  0.1576% (0.61   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    VAL   42  11.73 +/- 0.78   0.095% *  0.2576% (0.99   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.711, support = 5.7, residual support = 21.8:
          QG2   VAL   41 - HN    VAL   42   3.16 +/- 0.65  63.518% * 88.8747% (0.73   5.96  22.98) =  94.698%  kept
          QD1   LEU   73 - HN    VAL   42   3.71 +/- 0.84  31.592% *  9.9712% (0.45   1.08   1.55) =   5.284%  kept
          QD2   LEU   98 - HN    VAL   42   5.31 +/- 0.92   4.192% *  0.2161% (0.53   0.02   0.62) =   0.015%
          QD2   LEU   63 - HN    VAL   42   8.33 +/- 2.05   0.260% *  0.4026% (0.98   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    VAL   42   8.43 +/- 1.82   0.322% *  0.1841% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    VAL   42  11.52 +/- 1.00   0.030% *  0.2161% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   42  10.23 +/- 0.96   0.058% *  0.0634% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   42  12.31 +/- 2.26   0.028% *  0.0719% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.39, residual support = 87.3:
          QG1   VAL   42 - HN    VAL   42   3.43 +/- 0.17  99.984% * 99.2515% (0.87   5.39  87.33) = 100.000%  kept
          QB    ALA   47 - HN    VAL   42  15.73 +/- 0.51   0.011% *  0.3246% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   42  19.28 +/- 2.05   0.004% *  0.4238% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 0.596, support = 5.2, residual support = 85.4:
          QG2   VAL   42 - HN    VAL   42   3.41 +/- 0.17  72.155% * 93.9869% (0.61   5.29  87.33) =  97.751%  kept
          QG2   VAL   70 - HN    VAL   42   4.06 +/- 0.27  27.095% *  5.7505% (0.14   1.45   1.33) =   2.246%  kept
          QG2   VAL   75 - HN    VAL   42   7.51 +/- 0.60   0.749% *  0.2626% (0.45   0.02   0.02) =   0.003%
    Distance limit 3.62 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 = 4.48, residual support = 74.5:
      O   HB    VAL   41 - HN    VAL   41   2.85 +/- 0.37  95.122% * 99.3523% (0.90  10.0   4.48  74.50) =  99.996%  kept
          HB2   LEU   71 - HN    VAL   41   5.11 +/- 0.50   4.281% *  0.0672% (0.61   1.0   0.02   4.48) =   0.003%
          QB    LYS+ 102 - HN    VAL   41   8.15 +/- 0.97   0.315% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    VAL   41   8.26 +/- 0.88   0.252% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    VAL   41  13.41 +/- 1.30   0.012% *  0.1098% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   41  16.82 +/- 4.36   0.010% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   41  15.55 +/- 0.60   0.005% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   41  19.86 +/- 1.08   0.001% *  0.1048% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   41  17.25 +/- 1.19   0.003% *  0.0171% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  23.76 +/- 1.18   0.000% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 3.78, residual support = 19.8:
          HG    LEU   40 - HN    VAL   41   3.30 +/- 0.77  97.846% * 80.6427% (0.18   3.79  19.76) =  99.958%  kept
          HG    LEU   73 - HN    VAL   41   7.92 +/- 0.94   1.202% *  1.4755% (0.61   0.02   0.02) =   0.022%
          HB3   LEU   67 - HN    VAL   41  11.04 +/- 1.93   0.291% *  2.3012% (0.95   0.02   0.02) =   0.008%
          HG2   LYS+ 102 - HN    VAL   41   9.78 +/- 1.28   0.350% *  1.1841% (0.49   0.02   0.02) =   0.005%
          HG12  ILE   19 - HN    VAL   41  13.80 +/- 2.40   0.061% *  2.1817% (0.90   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    VAL   41  14.38 +/- 3.60   0.117% *  0.8298% (0.34   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    VAL   41  14.64 +/- 0.66   0.029% *  2.4273% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    VAL   41  14.81 +/- 1.69   0.033% *  1.9479% (0.80   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    VAL   41  16.08 +/- 1.21   0.016% *  2.3477% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   41  14.78 +/- 0.62   0.024% *  0.7508% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   41  16.69 +/- 0.86   0.012% *  1.1841% (0.49   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   41  17.98 +/- 1.76   0.006% *  2.3012% (0.95   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   41  16.54 +/- 1.98   0.013% *  0.4260% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.858, support = 1.48, residual support = 8.75:
          QB    ALA   34 - HN    VAL   41   4.27 +/- 0.32  81.648% * 73.8942% (0.90   1.48   9.33) =  93.729%  kept
          QG2   THR   39 - HN    VAL   41   5.67 +/- 0.37  17.495% * 23.0450% (0.28   1.49   0.02) =   6.263%  kept
          HG3   LYS+  38 - HN    VAL   41   9.84 +/- 0.98   0.718% *  0.5868% (0.53   0.02   0.02) =   0.007%
          QG2   THR   23 - HN    VAL   41  15.76 +/- 0.61   0.035% *  1.1055% (0.99   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    VAL   41  15.75 +/- 1.24   0.036% *  0.8100% (0.73   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    VAL   41  15.01 +/- 0.66   0.049% *  0.2483% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    VAL   41  17.75 +/- 1.47   0.019% *  0.3101% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.6, residual support = 19.8:
          QD2   LEU   40 - HN    VAL   41   2.66 +/- 0.66  98.602% * 97.7920% (0.92   4.60  19.76) =  99.995%  kept
          QD2   LEU   71 - HN    VAL   41   6.88 +/- 0.56   0.708% *  0.2982% (0.65   0.02   4.48) =   0.002%
          QG2   ILE  103 - HN    VAL   41   8.09 +/- 0.42   0.278% *  0.4569% (0.99   0.02   0.02) =   0.001%
          QD1   LEU   67 - HN    VAL   41   9.56 +/- 2.03   0.159% *  0.4360% (0.95   0.02   0.02) =   0.001%
          QD1   ILE  103 - HN    VAL   41   8.48 +/- 0.74   0.215% *  0.2425% (0.53   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    VAL   41  12.87 +/- 3.00   0.019% *  0.1572% (0.34   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    VAL   41  12.92 +/- 0.53   0.015% *  0.1572% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    VAL   41  16.19 +/- 0.72   0.004% *  0.4599% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.51, residual support = 74.5:
          QG1   VAL   41 - HN    VAL   41   2.32 +/- 0.54  97.981% * 98.1980% (1.00   4.51  74.50) =  99.996%  kept
          QG1   VAL   43 - HN    VAL   41   6.33 +/- 0.98   0.620% *  0.4116% (0.95   0.02   1.58) =   0.003%
          QD2   LEU  104 - HN    VAL   41   6.49 +/- 0.87   1.019% *  0.0861% (0.20   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    VAL   41   7.23 +/- 0.45   0.251% *  0.1951% (0.45   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    VAL   41   8.21 +/- 1.13   0.100% *  0.2639% (0.61   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    VAL   41  12.46 +/- 0.68   0.009% *  0.3326% (0.76   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   41  12.08 +/- 1.25   0.015% *  0.1343% (0.31   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   41  14.98 +/- 0.72   0.003% *  0.2815% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    VAL   41  16.05 +/- 1.22   0.002% *  0.0969% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.715, support = 4.2, residual support = 72.1:
          QG2   VAL   41 - HN    VAL   41   3.36 +/- 0.76  77.576% * 79.3934% (0.73   4.36  74.50) =  94.381%  kept
          QD2   LEU   98 - HN    VAL   41   4.65 +/- 0.59  19.018% * 19.2372% (0.53   1.46  31.76) =   5.606%  kept
          QD1   LEU   73 - HN    VAL   41   6.39 +/- 0.83   2.674% *  0.2247% (0.45   0.02   0.02) =   0.009%
          QD2   LEU   63 - HN    VAL   41   9.91 +/- 1.91   0.381% *  0.4913% (0.98   0.02   0.02) =   0.003%
          QD1   LEU   63 - HN    VAL   41  10.38 +/- 1.63   0.254% *  0.2247% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    VAL   41  14.05 +/- 1.03   0.022% *  0.2637% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   41  12.63 +/- 0.84   0.042% *  0.0773% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   41  13.88 +/- 2.38   0.034% *  0.0878% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 2.7, residual support = 2.7:
          QG2   VAL   70 - HN    VAL   41   5.11 +/- 0.44  97.737% * 98.4383% (0.18   2.70   2.70) =  99.963%  kept
          QG2   THR  118 - HN    VAL   41  10.29 +/- 1.71   2.263% *  1.5617% (0.38   0.02   0.02) =   0.037%
    Distance limit 4.82 A violated in 2 structures by 0.36 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.332, support = 1.64, residual support = 32.9:
          HA    VAL   70 - HN    LEU   40   3.74 +/- 0.71  93.895% * 40.0414% (0.28   1.72  35.97) =  91.589%  kept
          HB2   SER   37 - HN    LEU   40   6.43 +/- 0.25   5.964% * 57.8556% (0.92   0.75   0.02) =   8.406%  kept
          HA1   GLY   16 - HN    LEU   40  13.18 +/- 2.44   0.126% *  1.6382% (0.98   0.02   0.02) =   0.005%
          HA    GLN  116 - HN    LEU   40  17.97 +/- 2.71   0.014% *  0.4647% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 3.91, residual support = 23.6:
          HB    THR   39 - HN    LEU   40   3.77 +/- 0.19  97.441% * 94.9703% (0.41   3.91  23.64) =  99.990%  kept
          HB3   SER   37 - HN    LEU   40   7.12 +/- 0.41   2.317% *  0.3282% (0.28   0.02   0.02) =   0.008%
          HA    GLN   30 - HN    LEU   40  11.61 +/- 0.59   0.130% *  1.1166% (0.95   0.02   0.02) =   0.002%
          QB    SER   13 - HN    LEU   40  16.38 +/- 3.61   0.104% *  0.5292% (0.45   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    LEU   40  23.01 +/- 1.33   0.002% *  0.9021% (0.76   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   40  23.04 +/- 1.21   0.002% *  0.6683% (0.57   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   40  22.39 +/- 1.46   0.003% *  0.3282% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   40  28.02 +/- 1.27   0.001% *  1.1570% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 0.557, support = 0.719, residual support = 11.0:
          QE    LYS+  99 - HN    LEU   40   4.38 +/- 0.50  94.201% * 52.0175% (0.57   0.71  11.46) =  96.414%  kept
          QE    LYS+  38 - HN    LEU   40   8.86 +/- 1.01   4.476% * 40.0993% (0.31   1.00   0.02) =   3.531%  kept
          HB2   PHE   97 - HN    LEU   40   9.69 +/- 0.81   0.927% *  2.5017% (0.97   0.02   1.45) =   0.046%
          HB3   TRP   27 - HN    LEU   40  14.94 +/- 0.87   0.071% *  2.5409% (0.98   0.02   0.02) =   0.004%
          QE    LYS+ 106 - HN    LEU   40  14.38 +/- 1.49   0.107% *  1.4676% (0.57   0.02   0.02) =   0.003%
          QE    LYS+ 102 - HN    LEU   40  13.11 +/- 1.03   0.160% *  0.4000% (0.15   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    LEU   40  15.48 +/- 1.40   0.058% *  0.9729% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.7, residual support = 104.3:
      O   HB2   LEU   40 - HN    LEU   40   2.61 +/- 0.37  99.977% * 99.7221% (0.97  10.0   4.70 104.32) = 100.000%  kept
          HB3   MET   96 - HN    LEU   40  13.54 +/- 1.05   0.008% *  0.0954% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   40  16.57 +/- 3.29   0.007% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU   40  14.32 +/- 1.38   0.006% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  21.58 +/- 3.75   0.001% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  26.73 +/- 0.97   0.000% *  0.0463% (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 1037 (1.46, 8.88, 128.13 ppm):
    10 chemical-shift based assignments, quality = 0.613, support = 4.89, residual support = 104.3:
      O   HB3   LEU   40 - HN    LEU   40   2.37 +/- 0.35  95.080% * 68.9602% (0.61  10.0   4.87 104.32) =  97.866%  kept
          HG    LEU   40 - HN    LEU   40   4.26 +/- 0.30   4.691% * 30.4689% (0.92   1.0   5.81 104.32) =   2.134%  kept
          HG    LEU   67 - HN    LEU   40  10.12 +/- 1.65   0.067% *  0.1114% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   40   8.72 +/- 1.69   0.119% *  0.0175% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   40   9.82 +/- 0.86   0.025% *  0.0510% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   40  13.06 +/- 1.49   0.006% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   40  14.29 +/- 3.01   0.004% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   40  13.17 +/- 1.52   0.005% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   40  18.11 +/- 1.99   0.001% *  0.1050% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   40  18.56 +/- 2.45   0.001% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.304, support = 3.59, residual support = 22.6:
          QG2   THR   39 - HN    LEU   40   2.56 +/- 0.39  97.034% * 39.2101% (0.28   3.67  23.64) =  95.787%  kept
          QB    ALA   34 - HN    LEU   40   5.01 +/- 0.34   2.851% * 58.6831% (0.90   1.70   0.02) =   4.212%  kept
          HG3   LYS+  38 - HN    LEU   40   8.27 +/- 0.58   0.111% *  0.4039% (0.53   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    LEU   40  17.87 +/- 0.74   0.001% *  0.7610% (0.99   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   40  17.26 +/- 1.32   0.001% *  0.5575% (0.73   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LEU   40  17.96 +/- 0.48   0.001% *  0.1709% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   40  20.83 +/- 1.34   0.000% *  0.2135% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.885, support = 1.38, residual support = 24.3:
          QG1   VAL   70 - HN    LEU   40   4.80 +/- 1.08  57.879% * 55.9995% (0.84   1.58  35.97) =  65.658%  kept
          QD1   LEU   71 - HN    LEU   40   5.36 +/- 1.34  40.777% * 41.5533% (0.98   1.00   2.02) =  34.324%  kept
          HB3   LEU  104 - HN    LEU   40   9.90 +/- 0.77   0.569% *  0.7847% (0.92   0.02   0.02) =   0.009%
          QD1   LEU  123 - HN    LEU   40  12.76 +/- 3.62   0.337% *  0.8332% (0.98   0.02   0.02) =   0.006%
          QG1   VAL   18 - HN    LEU   40  11.71 +/- 0.90   0.182% *  0.6173% (0.73   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    LEU   40  11.91 +/- 1.63   0.257% *  0.2120% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 1 structures by 0.16 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.572, support = 4.66, residual support = 93.9:
          QD2   LEU   40 - HN    LEU   40   4.21 +/- 0.17  78.085% * 66.1962% (0.53   5.04 104.32) =  89.792%  kept
          QD2   LEU   71 - HN    LEU   40   5.54 +/- 0.71  18.368% * 31.9345% (0.98   1.30   2.02) =  10.190%  kept
          QD1   LEU   67 - HN    LEU   40   8.27 +/- 1.69   2.919% *  0.2829% (0.57   0.02   0.02) =   0.014%
          QG2   ILE  119 - HN    LEU   40  12.66 +/- 3.02   0.234% *  0.3818% (0.76   0.02   0.02) =   0.002%
          QG2   ILE  103 - HN    LEU   40  11.31 +/- 0.51   0.228% *  0.3432% (0.69   0.02   0.02) =   0.001%
          QD1   ILE  103 - HN    LEU   40  12.13 +/- 0.71   0.153% *  0.4612% (0.92   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU   40  17.94 +/- 0.80   0.013% *  0.4001% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.24, residual support = 36.0:
          QG2   VAL   70 - HN    LEU   40   4.55 +/- 0.57 100.000% *100.0000% (0.57   6.24  35.97) = 100.000%  kept
    Distance limit 4.38 A violated in 4 structures by 0.32 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.231, support = 1.91, residual support = 8.37:
          HA    ALA   34 - HN    THR   39   2.63 +/- 0.29  99.516% * 22.8236% (0.22   1.92   8.50) =  98.499%  kept
          HA    GLU-  36 - HN    THR   39   6.56 +/- 0.08   0.471% * 73.4559% (0.80   1.71   0.02) =   1.501%  kept
          HA    ASN   28 - HN    THR   39  12.67 +/- 0.34   0.009% *  0.4018% (0.38   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    THR   39  19.04 +/- 6.57   0.003% *  1.0332% (0.97   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    THR   39  21.46 +/- 1.92   0.001% *  0.3652% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    THR   39  25.26 +/- 0.77   0.000% *  0.9601% (0.90   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    THR   39  27.33 +/- 1.10   0.000% *  0.9601% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 2.89, residual support = 5.83:
          HA    SER   37 - HN    THR   39   4.26 +/- 0.09  82.558% * 53.2386% (0.90   2.82   2.75) =  85.259%  kept
          HA    LEU   40 - HN    THR   39   5.55 +/- 0.06  16.960% * 44.8001% (0.65   3.29  23.64) =  14.739%  kept
          HA    VAL   42 - HN    THR   39  10.99 +/- 0.18   0.282% *  0.1437% (0.34   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    THR   39  13.94 +/- 2.02   0.094% *  0.3519% (0.84   0.02   0.02) =   0.001%
          HA    SER   13 - HN    THR   39  16.78 +/- 3.45   0.070% *  0.3519% (0.84   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   39  16.50 +/- 1.48   0.029% *  0.3778% (0.90   0.02   0.02) =   0.000%
          HA    THR   46 - HN    THR   39  23.24 +/- 0.55   0.003% *  0.3985% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    THR   39  22.86 +/- 0.85   0.004% *  0.3374% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.407, support = 3.78, residual support = 37.3:
      O   HB    THR   39 - HN    THR   39   2.67 +/- 0.20  67.750% * 92.2779% (0.41  10.0   3.83  38.55) =  96.605%  kept
          HB3   SER   37 - HN    THR   39   3.16 +/- 0.47  32.179% *  6.8281% (0.28   1.0   2.19   2.75) =   3.395%  kept
          HA    GLN   30 - HN    THR   39   9.45 +/- 0.47   0.035% *  0.2123% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    THR   39  15.40 +/- 3.97   0.035% *  0.1006% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    THR   39  22.78 +/- 1.37   0.000% *  0.1715% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  25.78 +/- 1.26   0.000% *  0.1271% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  24.37 +/- 1.54   0.000% *  0.0624% (0.28   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    THR   39  30.85 +/- 1.18   0.000% *  0.2200% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 0.728, support = 3.28, residual support = 24.9:
          QG2   THR   39 - HN    THR   39   3.48 +/- 0.38  53.482% * 21.0403% (0.49   3.75  38.55) =  48.307%  kept
          QB    ALA   34 - HN    THR   39   3.64 +/- 0.18  42.300% * 22.9765% (1.00   2.00   8.50) =  41.723%  kept
          HG3   LYS+  38 - HN    THR   39   5.44 +/- 0.29   4.191% * 55.4132% (0.76   6.30  27.76) =   9.970%  kept
          HG13  ILE   19 - HN    THR   39  13.73 +/- 2.41   0.021% *  0.0456% (0.20   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    THR   39  17.22 +/- 0.80   0.004% *  0.1997% (0.87   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    THR   39  20.23 +/- 1.37   0.002% *  0.2126% (0.92   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    THR   39  22.75 +/- 1.16   0.001% *  0.1121% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1046 (3.79, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.63, residual support = 219.1:
      O   HA    LYS+  38 - HN    LYS+  38   2.21 +/- 0.01  99.617% * 99.7734% (0.80  10.0   6.63 219.14) = 100.000%  kept
          HA    GLU- 100 - HN    LYS+  38   6.84 +/- 1.77   0.382% *  0.0705% (0.57   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LYS+  38  17.50 +/- 0.61   0.000% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    LYS+  38  21.19 +/- 1.07   0.000% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  27.79 +/- 0.90   0.000% *  0.0559% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 219.1:
      O   HB2   LYS+  38 - HN    LYS+  38   3.23 +/- 0.14  99.925% * 99.7624% (1.00  10.0   5.63 219.14) = 100.000%  kept
          HB3   GLU-  29 - HN    LYS+  38  12.85 +/- 0.48   0.027% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  38  15.13 +/- 0.43   0.010% *  0.0724% (0.73   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    LYS+  38  12.69 +/- 0.73   0.031% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    LYS+  38  17.35 +/- 1.63   0.005% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  19.07 +/- 0.71   0.002% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  30.00 +/- 0.93   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 219.1:
      O   HB3   LYS+  38 - HN    LYS+  38   4.05 +/- 0.08  92.668% * 99.4497% (0.90  10.0   5.20 219.14) =  99.998%  kept
          QB    LYS+  33 - HN    LYS+  38   6.27 +/- 0.34   7.050% *  0.0219% (0.20   1.0   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    LYS+  38  11.12 +/- 0.82   0.247% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  38  18.11 +/- 0.67   0.012% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LYS+  38  20.71 +/- 3.82   0.017% *  0.0247% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  38  27.33 +/- 0.95   0.001% *  0.0994% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  27.20 +/- 1.68   0.001% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  28.86 +/- 1.15   0.001% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  24.65 +/- 0.76   0.002% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  29.63 +/- 1.13   0.001% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1049 (1.31, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.86, residual support = 219.1:
          HG2   LYS+  38 - HN    LYS+  38   3.23 +/- 0.22  99.505% * 98.4035% (0.65   5.86 219.14) =  99.999%  kept
          HG2   LYS+  99 - HN    LYS+  38   8.65 +/- 1.00   0.339% *  0.2733% (0.53   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    LYS+  38   9.67 +/- 0.35   0.150% *  0.1157% (0.22   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LYS+  38  20.56 +/- 0.59   0.002% *  0.4915% (0.95   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LYS+  38  22.52 +/- 1.50   0.001% *  0.4915% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LYS+  38  17.70 +/- 0.84   0.004% *  0.0802% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  38  30.77 +/- 2.70   0.000% *  0.1444% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1050 (2.18, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.29, residual support = 27.8:
          HB2   LYS+  38 - HN    THR   39   4.18 +/- 0.13  99.244% * 99.1077% (1.00   5.29  27.76) =  99.999%  kept
          HB    VAL   70 - HN    THR   39  10.10 +/- 0.69   0.542% *  0.0741% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    THR   39  13.07 +/- 0.50   0.110% *  0.1278% (0.34   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    THR   39  15.40 +/- 0.49   0.041% *  0.2720% (0.73   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    THR   39  15.48 +/- 1.61   0.050% *  0.0934% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    THR   39  18.88 +/- 0.67   0.012% *  0.1278% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    THR   39  28.88 +/- 0.71   0.001% *  0.1971% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1051 (3.87, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.42, residual support = 26.8:
      O   HB3   SER   37 - HN    SER   37   2.62 +/- 0.41  97.032% * 99.5080% (0.99  10.0   3.42  26.83) =  99.997%  kept
          HB    THR   39 - HN    SER   37   5.17 +/- 0.18   2.631% *  0.0995% (0.99   1.0   0.02   2.75) =   0.003%
          QB    SER   13 - HN    SER   37  15.23 +/- 4.01   0.217% *  0.0984% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   37   8.66 +/- 0.40   0.120% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   37  22.78 +/- 1.43   0.000% *  0.0767% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   37  22.77 +/- 2.02   0.000% *  0.0729% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  25.85 +/- 1.57   0.000% *  0.0995% (0.99   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  32.76 +/- 1.25   0.000% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 18.9:
          QB    GLU-  36 - HN    SER   37   3.49 +/- 0.25  98.834% * 98.3051% (1.00   3.72  18.93) =  99.999%  kept
          HG3   GLU- 100 - HN    SER   37   8.83 +/- 1.95   1.051% *  0.0925% (0.18   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    SER   37  11.48 +/- 0.53   0.087% *  0.4584% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    SER   37  13.90 +/- 0.52   0.027% *  0.2572% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    SER   37  23.88 +/- 0.99   0.001% *  0.5238% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    SER   37  30.06 +/- 0.87   0.000% *  0.3630% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1053 (1.30, 7.91, 112.05 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 4.12, residual support = 13.6:
          HG2   LYS+  38 - HN    SER   37   4.81 +/- 0.14  98.636% * 97.0647% (0.38   4.12  13.62) =  99.995%  kept
          HG2   LYS+  99 - HN    SER   37  10.23 +/- 1.03   1.280% *  0.3493% (0.28   0.02   0.02) =   0.005%
          QG2   THR   23 - HN    SER   37  16.89 +/- 0.92   0.057% *  0.4285% (0.34   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    SER   37  20.46 +/- 0.53   0.017% *  1.2452% (0.99   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    SER   37  22.88 +/- 1.36   0.009% *  0.9123% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.05, residual support = 51.7:
          HB2   ASN   35 - HN    GLU-  36   3.54 +/- 0.09  96.941% * 97.9497% (0.65   6.05  51.73) =  99.986%  kept
          QE    LYS+  33 - HN    GLU-  36   6.47 +/- 0.44   2.984% *  0.4340% (0.87   0.02   0.02) =   0.014%
          HB2   ASN   28 - HN    GLU-  36  11.93 +/- 0.49   0.069% *  0.4733% (0.95   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  36  20.07 +/- 1.57   0.003% *  0.4733% (0.95   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  36  21.09 +/- 1.28   0.002% *  0.4992% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  36  26.99 +/- 0.64   0.001% *  0.1707% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1055 (2.47, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.85, residual support = 86.7:
          HG2   GLU-  36 - HN    GLU-  36   3.22 +/- 0.52  99.993% * 99.4350% (0.97   4.85  86.74) = 100.000%  kept
          HG3   MET   96 - HN    GLU-  36  17.60 +/- 1.14   0.006% *  0.3401% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    GLU-  36  24.65 +/- 1.40   0.001% *  0.1594% (0.38   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  36  29.43 +/- 2.27   0.000% *  0.0655% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.03 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   2.15 +/- 0.09  99.958% * 99.6951% (0.90  10.0   7.31  86.74) = 100.000%  kept
          HG3   GLU- 100 - HN    GLU-  36   9.73 +/- 1.96   0.027% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  36   9.86 +/- 0.46   0.011% *  0.0674% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  36  12.12 +/- 0.46   0.003% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  22.98 +/- 1.00   0.000% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  17.79 +/- 0.51   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  29.37 +/- 0.99   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.95 +/- 0.27  99.780% * 97.3228% (0.65   4.85  86.74) =  99.999%  kept
          QG    GLU-  15 - HN    GLU-  36  13.97 +/- 2.53   0.094% *  0.2780% (0.45   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLU-  36  17.65 +/- 3.55   0.043% *  0.5562% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLU-  36  16.42 +/- 3.09   0.039% *  0.1914% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLU-  36  15.81 +/- 0.88   0.027% *  0.1546% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  36  18.74 +/- 0.81   0.010% *  0.2115% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU-  36  22.46 +/- 0.88   0.003% *  0.3019% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    GLU-  36  25.21 +/- 1.79   0.002% *  0.3511% (0.57   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU-  36  29.59 +/- 1.62   0.001% *  0.4012% (0.65   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  36  25.05 +/- 1.54   0.002% *  0.1227% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  36  30.96 +/- 1.50   0.000% *  0.1086% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1058 (3.55, 6.53, 110.12 ppm):
    3 chemical-shift based assignments, quality = 0.266, support = 0.0199, residual support = 0.0199:
          HA2   GLY  101 - HD22  ASN   35   7.98 +/- 2.34  92.442% * 14.8773% (0.20   0.02   0.02) =  81.044%  kept
          HB2   TRP   27 - HD22  ASN   35  14.36 +/- 1.46   7.457% * 42.5614% (0.57   0.02   0.02) =  18.702%  kept
          HD2   PRO   93 - HD22  ASN   35  28.25 +/- 1.40   0.101% * 42.5614% (0.57   0.02   0.02) =   0.254%
    Distance limit 4.80 A violated in 16 structures by 3.09 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 = 55.4:
      O   HB2   ASN   35 - HD22  ASN   35   3.63 +/- 0.22  99.703% * 99.5004% (0.76  10.0   3.59  55.42) = 100.000%  kept
          QE    LYS+  33 - HD22  ASN   35  11.08 +/- 0.60   0.159% *  0.0995% (0.76   1.0   0.02   1.28) =   0.000%
          HB2   ASN   28 - HD22  ASN   35  11.91 +/- 1.00   0.123% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD22  ASN   35  17.56 +/- 2.48   0.013% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   35  24.71 +/- 1.48   0.001% *  0.1256% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   35  27.40 +/- 1.51   0.001% *  0.0325% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 1.59, residual support = 6.39:
          HA    GLN   32 - HD21  ASN   35   3.91 +/- 0.48  96.433% * 54.6315% (0.76   1.60   6.50) =  97.952%  kept
          HA    LYS+  33 - HD21  ASN   35   7.17 +/- 0.53   2.721% * 40.2614% (0.69   1.31   1.28) =   2.037%  kept
          HA    GLU-  29 - HD21  ASN   35   8.90 +/- 0.71   0.776% *  0.7473% (0.83   0.02   0.02) =   0.011%
          HA    VAL   70 - HD21  ASN   35  14.33 +/- 1.10   0.050% *  0.3358% (0.38   0.02   0.02) =   0.000%
          HA    VAL   18 - HD21  ASN   35  19.04 +/- 1.26   0.009% *  0.7761% (0.87   0.02   0.02) =   0.000%
          HB2   SER   82 - HD21  ASN   35  19.68 +/- 1.43   0.007% *  0.8259% (0.92   0.02   0.02) =   0.000%
          HA    ALA   88 - HD21  ASN   35  23.20 +/- 2.36   0.003% *  0.7164% (0.80   0.02   0.02) =   0.000%
          HA    SER   48 - HD21  ASN   35  29.06 +/- 1.23   0.001% *  0.8634% (0.96   0.02   0.02) =   0.000%
          HA    GLN  116 - HD21  ASN   35  27.38 +/- 2.86   0.001% *  0.3358% (0.38   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD21  ASN   35  30.90 +/- 1.38   0.000% *  0.5065% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 55.4:
      O   HB2   ASN   35 - HD21  ASN   35   2.50 +/- 0.47  99.866% * 99.3188% (0.61  10.0   3.59  55.42) = 100.000%  kept
          QE    LYS+  33 - HD21  ASN   35   9.78 +/- 0.67   0.084% *  0.1469% (0.90   1.0   0.02   1.28) =   0.000%
          HB2   ASN   28 - HD21  ASN   35  10.57 +/- 0.75   0.047% *  0.1580% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD21  ASN   35  17.13 +/- 2.34   0.002% *  0.1512% (0.92   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   35  23.82 +/- 1.49   0.000% *  0.1637% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   35  26.32 +/- 1.25   0.000% *  0.0615% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 4.11, residual support = 44.4:
      O   HA    GLN   32 - HN    GLN   32   2.72 +/- 0.02  79.959% * 97.8093% (0.65  10.0   4.13  44.49) =  99.685%  kept
          HA    GLU-  29 - HN    GLN   32   3.49 +/- 0.14  18.532% *  1.3240% (0.92   1.0   0.19   0.02) =   0.313%
          HA    LYS+  33 - HN    GLN   32   5.29 +/- 0.06   1.497% *  0.1211% (0.80   1.0   0.02  11.62) =   0.002%
          HA    VAL   18 - HN    GLN   32  15.09 +/- 1.03   0.003% *  0.1430% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   32  13.61 +/- 1.00   0.006% *  0.0736% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   32  16.31 +/- 1.36   0.002% *  0.1482% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   32  21.48 +/- 1.52   0.000% *  0.1039% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   32  24.70 +/- 1.14   0.000% *  0.1356% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  26.21 +/- 2.07   0.000% *  0.0736% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  27.47 +/- 1.21   0.000% *  0.0678% (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 1063 (4.01, 7.95, 120.58 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 5.59, residual support = 147.9:
      O   HA    LYS+  33 - HN    LYS+  33   2.86 +/- 0.01  96.166% * 99.4322% (0.87  10.0   5.59 147.86) =  99.997%  kept
          HA    GLU-  29 - HN    LYS+  33   5.10 +/- 0.47   3.590% *  0.0832% (0.73   1.0   0.02   0.02) =   0.003%
          HB2   SER   37 - HN    LYS+  33   8.01 +/- 0.34   0.210% *  0.0558% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  33  11.92 +/- 1.06   0.021% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  33  13.95 +/- 1.13   0.008% *  0.0787% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  33  18.50 +/- 1.48   0.002% *  0.0695% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LYS+  33  16.69 +/- 1.94   0.003% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  25.49 +/- 2.17   0.000% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  25.41 +/- 1.18   0.000% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 0.458, support = 3.51, residual support = 22.2:
      O   HA    ASN   28 - HN    GLU-  29   3.65 +/- 0.01  27.100% * 72.5486% (0.18  10.0   5.10  35.57) =  60.943%  kept
          HA    THR   26 - HN    GLU-  29   3.20 +/- 0.22  61.012% * 19.2899% (0.95   1.0   0.98   1.54) =  36.482%  kept
          HA    GLU-  25 - HN    GLU-  29   4.47 +/- 0.58  11.821% *  7.0272% (0.22   1.0   1.52   0.02) =   2.575%  kept
          HA    ALA   34 - HN    GLU-  29  11.14 +/- 0.31   0.034% *  0.1279% (0.31   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU-  29  14.35 +/- 3.01   0.018% *  0.2016% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  29  13.05 +/- 1.03   0.015% *  0.1703% (0.41   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  29  23.39 +/- 1.33   0.000% *  0.2846% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLU-  29  28.60 +/- 1.07   0.000% *  0.2680% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLU-  29  24.79 +/- 1.21   0.000% *  0.0820% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1065 (2.93, 6.97, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 4.39, residual support = 104.9:
      O   HB2   ASN   28 - HD22  ASN   28   3.66 +/- 0.27  99.074% * 99.6000% (0.95  10.0   4.39 104.88) =  99.999%  kept
          HB2   ASP-  86 - HD22  ASN   28   8.95 +/- 1.14   0.633% *  0.0996% (0.95   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD22  ASN   28  11.06 +/- 1.56   0.172% *  0.0913% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD22  ASN   28  11.84 +/- 1.31   0.099% *  0.0681% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   28  15.64 +/- 0.84   0.020% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   28  21.74 +/- 1.51   0.003% *  0.1051% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1066 (2.72, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.06, residual support = 156.2:
      O   HG2   GLN   30 - HE21  GLN   30   3.61 +/- 0.46  99.658% * 99.8337% (0.61  10.0   4.06 156.16) = 100.000%  kept
          HB3   ASN   28 - HE21  GLN   30   9.69 +/- 1.32   0.332% *  0.1375% (0.84   1.0   0.02   7.79) =   0.000%
          QE    LYS+ 121 - HE21  GLN   30  19.32 +/- 2.80   0.009% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.14, residual support = 156.2:
      O   HG2   GLN   30 - HE22  GLN   30   3.15 +/- 0.54  99.729% * 99.8337% (0.61  10.0   4.14 156.16) = 100.000%  kept
          HB3   ASN   28 - HE22  GLN   30   8.77 +/- 1.06   0.267% *  0.1375% (0.84   1.0   0.02   7.79) =   0.000%
          QE    LYS+ 121 - HE22  GLN   30  19.22 +/- 2.76   0.004% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 4.17, residual support = 104.9:
      O   HB3   ASN   28 - HD22  ASN   28   3.66 +/- 0.46  97.521% * 99.7665% (0.90  10.0   4.17 104.88) =  99.997%  kept
          HG2   GLN   30 - HD22  ASN   28   7.40 +/- 1.56   2.472% *  0.1110% (1.00   1.0   0.02   7.79) =   0.003%
          QE    LYS+ 121 - HD22  ASN   28  22.37 +/- 3.03   0.004% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD22  ASN   28  22.63 +/- 4.18   0.003% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 1.7, residual support = 13.1:
          QG2   VAL   24 - HD22  ASN   28   2.60 +/- 0.80  99.993% * 97.9815% (0.97   1.70  13.06) = 100.000%  kept
          HG    LEU   63 - HD22  ASN   28  20.82 +/- 2.31   0.003% *  1.0354% (0.87   0.02   0.02) =   0.000%
          QG1   VAL  107 - HD22  ASN   28  17.51 +/- 1.01   0.004% *  0.4480% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD22  ASN   28  26.58 +/- 2.22   0.001% *  0.5351% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 1 structures by 0.05 A, kept.
 
    Peak 1070 (4.01, 8.29, 121.00 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 6.14, residual support = 94.8:
      O   HA    GLU-  29 - HN    GLU-  29   2.72 +/- 0.02  99.681% * 99.3483% (0.84  10.0   6.14  94.79) = 100.000%  kept
          HA    LYS+  33 - HN    GLU-  29   9.35 +/- 0.48   0.064% *  0.1125% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLU-  29   7.53 +/- 0.24   0.230% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLU-  29  12.71 +/- 1.44   0.013% *  0.0864% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLU-  29  14.63 +/- 0.92   0.005% *  0.0952% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLU-  29  16.33 +/- 0.85   0.002% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLU-  29  14.53 +/- 0.53   0.004% *  0.0446% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  21.45 +/- 1.36   0.000% *  0.0406% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  19.61 +/- 1.24   0.001% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  27.04 +/- 1.79   0.000% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 5.95, residual support = 35.6:
          HB2   ASN   28 - HN    GLU-  29   2.27 +/- 0.10  99.860% * 98.6928% (0.97   5.95  35.57) = 100.000%  kept
          QE    LYS+  33 - HN    GLU-  29   7.74 +/- 1.54   0.125% *  0.3084% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  29  10.44 +/- 0.79   0.012% *  0.2085% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  29  13.67 +/- 1.35   0.002% *  0.3174% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  29  20.88 +/- 1.71   0.000% *  0.3438% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  29  17.90 +/- 0.74   0.000% *  0.1290% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.672, support = 5.62, residual support = 33.8:
          HB3   ASN   28 - HN    GLU-  29   3.49 +/- 0.20  89.417% * 48.1595% (0.65   5.75  35.57) =  88.782%  kept
          HG2   GLN   30 - HN    GLU-  29   5.15 +/- 0.47  10.580% * 51.4280% (0.87   4.58  19.58) =  11.218%  kept
          QE    LYS+ 121 - HN    GLU-  29  23.88 +/- 3.13   0.001% *  0.2450% (0.95   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLU-  29  23.41 +/- 4.08   0.001% *  0.1676% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 5.54, residual support = 94.8:
          HG2   GLU-  29 - HN    GLU-  29   2.81 +/- 0.19  99.228% * 97.8142% (0.57   5.54  94.79) =  99.999%  kept
          QG    GLN   32 - HN    GLU-  29   6.81 +/- 0.68   0.757% *  0.1733% (0.28   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HN    GLU-  29  13.51 +/- 1.56   0.012% *  0.2563% (0.41   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLU-  29  16.71 +/- 0.48   0.003% *  0.6178% (0.99   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLU-  29  22.17 +/- 0.82   0.000% *  0.5206% (0.84   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLU-  29  24.95 +/- 2.17   0.000% *  0.6178% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1075 (4.15, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.648, support = 3.34, residual support = 6.72:
          HA    ASN   28 - HN    GLN   30   3.85 +/- 0.12  46.511% * 56.1607% (0.45   4.47   7.79) =  61.323%  kept
          HA    THR   26 - HN    GLN   30   4.02 +/- 0.50  39.447% * 41.7493% (0.97   1.54   5.01) =  38.663%  kept
          HA1   GLY  101 - HN    LYS+  99   4.94 +/- 0.60  13.318% *  0.0308% (0.05   0.02   1.41) =   0.010%
          HA    ALA   34 - HN    GLN   30   8.80 +/- 0.38   0.330% *  0.3627% (0.65   0.02   0.45) =   0.003%
          HA1   GLY  101 - HN    GLN   30  13.09 +/- 3.14   0.091% *  0.4684% (0.84   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    GLN   30  11.33 +/- 1.03   0.080% *  0.0865% (0.15   0.02   1.05) =   0.000%
          HA    ALA   34 - HN    LYS+  99  10.05 +/- 0.79   0.160% *  0.0238% (0.04   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  99  13.05 +/- 1.28   0.038% *  0.0165% (0.03   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLN   30  22.78 +/- 1.33   0.001% *  0.2729% (0.49   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLN   30  22.06 +/- 1.35   0.001% *  0.1913% (0.34   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLN   30  26.65 +/- 1.19   0.000% *  0.5304% (0.95   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+  99  17.92 +/- 1.28   0.005% *  0.0356% (0.06   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  16.58 +/- 1.93   0.009% *  0.0179% (0.03   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+  99  18.69 +/- 1.64   0.004% *  0.0348% (0.06   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  21.92 +/- 1.01   0.001% *  0.0126% (0.02   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  19.32 +/- 0.92   0.003% *  0.0057% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 5.41, residual support = 19.6:
      O   HA    GLU-  29 - HN    GLN   30   3.51 +/- 0.02  96.646% * 99.3278% (1.00  10.0   5.41  19.58) =  99.998%  kept
          HA    LYS+  33 - HN    GLN   30   7.70 +/- 0.34   0.897% *  0.0976% (0.98   1.0   0.02   0.17) =   0.001%
          HA    GLN   32 - HN    GLN   30   6.72 +/- 0.16   1.965% *  0.0374% (0.38   1.0   0.02   1.57) =   0.001%
          HA    VAL   18 - HN    GLN   30  12.46 +/- 0.90   0.054% *  0.0987% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   30  14.09 +/- 1.43   0.029% *  0.0961% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   30  13.64 +/- 0.83   0.030% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN   30  12.22 +/- 0.56   0.056% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  10.37 +/- 0.68   0.158% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  14.12 +/- 0.99   0.025% *  0.0064% (0.06   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   30  21.14 +/- 1.25   0.002% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  12.80 +/- 1.35   0.055% *  0.0025% (0.02   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  19.86 +/- 1.23   0.003% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  15.94 +/- 1.35   0.013% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   30  24.82 +/- 1.93   0.001% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  17.05 +/- 1.01   0.008% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  12.82 +/- 0.75   0.043% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  18.80 +/- 2.45   0.005% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  24.37 +/- 1.39   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  20.47 +/- 1.60   0.003% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  19.25 +/- 2.37   0.005% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  26.01 +/- 1.21   0.001% *  0.0042% (0.04   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  25.41 +/- 1.40   0.001% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 6.23, residual support = 156.2:
      O   HA    GLN   30 - HN    GLN   30   2.83 +/- 0.02  99.838% * 99.5516% (0.92  10.0   6.23 156.16) = 100.000%  kept
          HB    THR   39 - HN    GLN   30  10.66 +/- 0.59   0.037% *  0.0483% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   30  11.00 +/- 0.71   0.031% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLN   30  13.57 +/- 1.55   0.011% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   30  15.45 +/- 2.73   0.009% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99  10.21 +/- 0.60   0.048% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  14.15 +/- 1.39   0.008% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  19.09 +/- 1.56   0.001% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLN   30  21.40 +/- 1.46   0.001% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  12.91 +/- 0.89   0.012% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLN   30  26.00 +/- 1.41   0.000% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  19.42 +/- 1.81   0.001% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  17.95 +/- 2.30   0.002% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  22.26 +/- 3.40   0.001% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  22.93 +/- 1.36   0.000% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  26.77 +/- 1.48   0.000% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.996, support = 7.05, residual support = 153.3:
          HG2   GLN   30 - HN    GLN   30   3.02 +/- 0.40  94.739% * 73.2363% (1.00   7.13 156.16) =  98.101%  kept
          HB3   ASN   28 - HN    GLN   30   5.11 +/- 0.12   5.070% * 26.4964% (0.90   2.87   7.79) =   1.899%  kept
          QE    LYS+ 121 - HN    LYS+  99  12.77 +/- 4.06   0.091% *  0.0098% (0.05   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  13.86 +/- 5.72   0.077% *  0.0051% (0.02   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    GLN   30  21.88 +/- 3.15   0.001% *  0.1495% (0.73   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  14.51 +/- 1.70   0.012% *  0.0135% (0.07   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLN   30  20.92 +/- 4.11   0.002% *  0.0773% (0.38   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LYS+  99  14.96 +/- 1.32   0.009% *  0.0121% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.5, residual support = 156.2:
      O   HB3   GLN   30 - HN    GLN   30   2.54 +/- 0.53  96.631% * 98.7410% (0.69  10.0   6.50 156.16) =  99.997%  kept
          QB    LYS+  33 - HN    GLN   30   5.69 +/- 0.64   2.383% *  0.1044% (0.73   1.0   0.02   0.17) =   0.003%
          HB    ILE  103 - HN    LYS+  99   6.40 +/- 0.35   0.737% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.71 +/- 0.91   0.098% *  0.0057% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   30  15.07 +/- 0.27   0.004% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.68 +/- 0.70   0.060% *  0.0085% (0.06   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   30  15.66 +/- 0.81   0.004% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   30  16.78 +/- 1.13   0.003% *  0.1289% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99   9.98 +/- 0.72   0.040% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   30  16.82 +/- 1.40   0.003% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  13.15 +/- 1.74   0.015% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  12.52 +/- 0.88   0.013% *  0.0069% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   30  19.30 +/- 1.23   0.001% *  0.0872% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   30  19.76 +/- 1.64   0.001% *  0.0700% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  23.60 +/- 1.69   0.000% *  0.1387% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  21.98 +/- 0.89   0.000% *  0.1151% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  22.72 +/- 1.46   0.000% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  25.32 +/- 1.50   0.000% *  0.0814% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  16.56 +/- 1.96   0.003% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  24.21 +/- 0.93   0.000% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  21.25 +/- 1.41   0.001% *  0.0091% (0.06   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  20.91 +/- 1.39   0.001% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  22.53 +/- 2.02   0.000% *  0.0076% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  21.36 +/- 0.78   0.001% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  24.00 +/- 1.31   0.000% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  26.85 +/- 1.26   0.000% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1080 (0.79, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.809, support = 5.48, residual support = 48.5:
          HG    LEU   31 - HN    GLN   30   4.89 +/- 0.84  36.580% * 86.3921% (0.80   5.81  51.36) =  93.511%  kept
          QD2   LEU   73 - HN    GLN   30   5.59 +/- 1.07  17.021% * 12.8486% (0.92   0.75   7.37) =   6.471%  kept
          QG1   VAL   41 - HN    GLN   30   7.36 +/- 0.77   3.296% *  0.0926% (0.25   0.02   0.02) =   0.009%
          QG1   VAL   41 - HN    LYS+  99   4.68 +/- 0.90  41.822% *  0.0061% (0.02   0.02   0.02) =   0.008%
          HG    LEU   31 - HN    LYS+  99  10.04 +/- 1.84   0.836% *  0.0195% (0.05   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LYS+  99  10.73 +/- 0.63   0.216% *  0.0225% (0.06   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  99  13.66 +/- 4.08   0.207% *  0.0138% (0.04   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    GLN   30  19.64 +/- 1.44   0.006% *  0.3703% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    GLN   30  24.09 +/- 2.58   0.002% *  0.2101% (0.57   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LYS+  99  17.39 +/- 1.34   0.013% *  0.0243% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 5.01:
          QG2   THR   26 - HN    GLN   30   3.99 +/- 0.36  95.128% * 94.2903% (0.73   2.00   5.01) =  99.993%  kept
          HB2   LYS+  74 - HN    GLN   30  11.55 +/- 1.09   0.233% *  1.2283% (0.95   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    LYS+  99   7.25 +/- 1.05   4.226% *  0.0619% (0.05   0.02  11.46) =   0.003%
          HB3   LEU   40 - HN    GLN   30  14.03 +/- 0.46   0.062% *  0.9429% (0.73   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    LYS+  99  14.10 +/- 4.27   0.171% *  0.0483% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLN   30  19.83 +/- 1.70   0.008% *  0.8400% (0.65   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    GLN   30  22.09 +/- 2.17   0.005% *  0.6320% (0.49   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  99  14.62 +/- 1.13   0.050% *  0.0619% (0.05   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    GLN   30  23.66 +/- 2.81   0.003% *  0.7352% (0.57   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LYS+  99  15.34 +/- 2.82   0.052% *  0.0415% (0.03   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    GLN   30  23.34 +/- 2.17   0.003% *  0.6320% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    GLN   30  20.88 +/- 1.45   0.007% *  0.2891% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  99  18.06 +/- 0.79   0.013% *  0.0807% (0.06   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  99  18.47 +/- 2.40   0.015% *  0.0415% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+  99  18.21 +/- 1.91   0.019% *  0.0190% (0.01   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+  99  21.10 +/- 1.26   0.005% *  0.0552% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.393, support = 6.28, residual support = 156.2:
      O   HB2   GLN   30 - HN    GLN   30   3.16 +/- 0.56  61.535% * 87.0910% (0.41  10.0   6.28 156.16) =  92.440%  kept
          HG3   GLN   30 - HN    GLN   30   3.58 +/- 0.53  37.286% * 11.7541% (0.18   1.0   6.34 156.16) =   7.560%  kept
          HB3   GLU- 100 - HN    LYS+  99   6.43 +/- 0.42   1.110% *  0.0047% (0.02   1.0   0.02  39.92) =   0.000%
          HB3   GLU- 100 - HN    GLN   30  14.78 +/- 2.11   0.010% *  0.0723% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    GLN   30  15.61 +/- 2.14   0.005% *  0.1115% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLN   30  20.42 +/- 3.65   0.003% *  0.1199% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLN   30  19.61 +/- 1.40   0.002% *  0.2044% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  12.85 +/- 1.44   0.024% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLN   30  22.46 +/- 1.46   0.001% *  0.1370% (0.65   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLN   30  23.51 +/- 2.43   0.001% *  0.0871% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.92 +/- 0.72   0.005% *  0.0090% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  26.23 +/- 1.56   0.000% *  0.1538% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  25.36 +/- 1.97   0.000% *  0.0950% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLN   30  24.85 +/- 1.02   0.000% *  0.0950% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  14.05 +/- 1.70   0.011% *  0.0024% (0.01   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  17.51 +/- 3.18   0.004% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  19.55 +/- 0.85   0.001% *  0.0134% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  23.29 +/- 2.85   0.000% *  0.0073% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  23.51 +/- 1.53   0.000% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  25.22 +/- 1.76   0.000% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  27.21 +/- 0.84   0.000% *  0.0101% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  28.21 +/- 4.01   0.000% *  0.0079% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1083 (2.16, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.918, support = 4.77, residual support = 19.6:
          HB3   GLU-  29 - HN    GLN   30   3.91 +/- 0.12  78.827% * 42.7742% (0.90   4.53  19.58) =  74.476%  kept
          HG3   GLU-  29 - HN    GLN   30   4.96 +/- 0.31  20.420% * 56.5871% (0.98   5.48  19.58) =  25.523%  kept
          QB    GLU-  36 - HN    GLN   30   9.20 +/- 0.37   0.475% *  0.1277% (0.61   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLN   30  13.90 +/- 0.97   0.043% *  0.1108% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   30  14.78 +/- 0.28   0.027% *  0.1277% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LYS+  99  11.40 +/- 0.70   0.135% *  0.0084% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLN   30  22.02 +/- 0.91   0.002% *  0.2087% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  13.56 +/- 0.83   0.048% *  0.0084% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  17.54 +/- 1.34   0.011% *  0.0124% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  18.71 +/- 1.34   0.007% *  0.0136% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  23.17 +/- 1.60   0.002% *  0.0137% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  22.36 +/- 1.49   0.002% *  0.0073% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.34 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.38, residual support = 94.8:
      O   HB2   GLU-  29 - HN    GLU-  29   2.32 +/- 0.07  99.994% * 99.4303% (0.76  10.0   5.38  94.79) = 100.000%  kept
          HB3   ASP-  76 - HN    GLU-  29  14.54 +/- 1.04   0.002% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLU-  29  16.51 +/- 1.73   0.001% *  0.1042% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  14.11 +/- 0.81   0.002% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  29  21.64 +/- 0.98   0.000% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  24.33 +/- 1.43   0.000% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  18.55 +/- 1.56   0.000% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  23.85 +/- 2.02   0.000% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.834, support = 6.08, residual support = 94.8:
          HG3   GLU-  29 - HN    GLU-  29   2.92 +/- 0.16  73.622% * 32.3517% (0.97   1.0   6.44  94.79) =  58.906%  kept
      O   HB3   GLU-  29 - HN    GLU-  29   3.52 +/- 0.02  24.655% * 67.3923% (0.65  10.0   5.58  94.79) =  41.093%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.77 +/- 0.55   1.673% *  0.0141% (0.14   1.0   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    GLU-  29  10.40 +/- 0.45   0.038% *  0.0355% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  29  13.40 +/- 1.07   0.009% *  0.0290% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  29  16.78 +/- 0.24   0.002% *  0.0904% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  21.82 +/- 0.90   0.000% *  0.0870% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 0.96, support = 3.04, residual support = 156.2:
      O   HG3   GLN   30 - HE21  GLN   30   3.73 +/- 0.56  44.650% * 85.7687% (0.99  10.0   2.86 156.16) =  83.571%  kept
          HB2   GLN   30 - HE21  GLN   30   3.69 +/- 0.99  54.783% * 13.7416% (0.80   1.0   3.97 156.16) =  16.428%  kept
          QB    GLU-  15 - HE21  GLN   30  10.34 +/- 2.31   0.404% *  0.0421% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HE21  GLN   30  12.80 +/- 1.68   0.046% *  0.0421% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE21  GLN   30  12.24 +/- 1.29   0.065% *  0.0267% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HE21  GLN   30  15.31 +/- 2.46   0.021% *  0.0751% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HE21  GLN   30  14.22 +/- 2.29   0.020% *  0.0751% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HE21  GLN   30  20.27 +/- 2.61   0.003% *  0.0693% (0.80   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HE21  GLN   30  21.39 +/- 2.54   0.002% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  18.59 +/- 1.84   0.005% *  0.0193% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  24.51 +/- 2.12   0.001% *  0.0421% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  26.27 +/- 2.68   0.000% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 0.481, support = 0.737, residual support = 0.835:
          QG2   ILE   19 - HE21  GLN   30   6.08 +/- 2.29  55.610% * 16.5887% (0.18   0.93   1.05) =  36.841%  kept
          QD1   LEU   98 - HE21  GLN   30   9.72 +/- 2.44  14.621% * 55.4092% (0.90   0.61   0.39) =  32.355%  kept
          QD1   ILE   19 - HE21  GLN   30   6.63 +/- 1.99  29.043% * 26.5396% (0.41   0.64   1.05) =  30.783%  kept
          QD2   LEU  104 - HE21  GLN   30  13.90 +/- 1.87   0.342% *  1.1494% (0.57   0.02   0.02) =   0.016%
          QG2   THR   46 - HE21  GLN   30  12.90 +/- 1.45   0.384% *  0.3132% (0.15   0.02   0.02) =   0.005%
    Distance limit 4.57 A violated in 3 structures by 0.32 A, kept.
 
    Peak 1088 (0.72, 6.64, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.489, support = 0.733, residual support = 0.823:
          QG2   ILE   19 - HE22  GLN   30   6.56 +/- 2.17  56.863% * 16.5526% (0.18   0.92   1.05) =  37.325%  kept
          QD1   LEU   98 - HE22  GLN   30   9.03 +/- 2.23  15.786% * 54.5091% (0.90   0.59   0.39) =  34.122%  kept
          QD1   ILE   19 - HE22  GLN   30   7.35 +/- 1.88  26.189% * 27.4635% (0.41   0.65   1.05) =  28.522%  kept
          QD2   LEU  104 - HE22  GLN   30  13.48 +/- 1.93   0.489% *  1.1590% (0.57   0.02   0.02) =   0.022%
          QG2   THR   46 - HE22  GLN   30  12.70 +/- 1.29   0.673% *  0.3159% (0.15   0.02   0.02) =   0.008%
    Distance limit 4.72 A violated in 6 structures by 0.59 A, kept.
 
    Peak 1089 (3.61, 8.06, 119.69 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.93, residual support = 45.7:
      O   HA    LEU   31 - HN    GLN   32   3.59 +/- 0.03  99.994% * 99.9819% (0.97  10.0   5.93  45.70) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  18.44 +/- 0.67   0.006% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 4.3, residual support = 44.5:
          QG    GLN   32 - HN    GLN   32   3.60 +/- 0.48  99.872% * 98.8770% (0.99   4.30  44.49) = 100.000%  kept
          HB2   GLU- 100 - HN    GLN   32  12.86 +/- 2.02   0.093% *  0.1033% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN   32  15.15 +/- 0.82   0.024% *  0.3715% (0.80   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLN   32  21.66 +/- 0.98   0.003% *  0.3187% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLN   32  18.64 +/- 0.77   0.007% *  0.1290% (0.28   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLN   32  25.26 +/- 2.24   0.001% *  0.1290% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLN   32  28.49 +/- 1.52   0.001% *  0.0716% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.18, residual support = 44.5:
      O   QB    GLN   32 - HN    GLN   32   2.13 +/- 0.08  99.993% * 99.6924% (0.90  10.0   4.18  44.49) = 100.000%  kept
          HG3   GLU- 100 - HN    GLN   32  12.49 +/- 1.75   0.003% *  0.1090% (0.98   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLN   32  11.95 +/- 0.48   0.003% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLN   32  19.52 +/- 1.48   0.000% *  0.0764% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  17.57 +/- 1.02   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1092 (1.89, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.712, support = 2.97, residual support = 5.1:
          HB3   GLN   30 - HN    GLN   32   5.31 +/- 0.33  36.934% * 73.6558% (0.99   2.45   1.57) =  64.825%  kept
          QB    LYS+  33 - HN    GLN   32   4.81 +/- 0.37  62.774% * 23.5127% (0.20   3.92  11.62) =  35.172%  kept
          HB3   LYS+  38 - HN    GLN   32  12.41 +/- 0.16   0.211% *  0.5437% (0.90   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    GLN   32  17.46 +/- 1.16   0.029% *  0.2068% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   32  18.12 +/- 0.86   0.023% *  0.1871% (0.31   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    GLN   32  20.93 +/- 3.48   0.017% *  0.1350% (0.22   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   32  25.18 +/- 1.52   0.003% *  0.6008% (0.99   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   32  26.01 +/- 1.67   0.003% *  0.4633% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   32  26.82 +/- 0.83   0.002% *  0.5437% (0.90   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   32  24.33 +/- 1.11   0.004% *  0.1512% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.93, residual support = 45.7:
          HB2   LEU   31 - HN    GLN   32   2.81 +/- 0.21  99.927% * 97.3730% (0.98   5.93  45.70) = 100.000%  kept
          HG2   LYS+  38 - HN    GLN   32  11.04 +/- 0.58   0.029% *  0.2032% (0.61   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    GLN   32  12.15 +/- 1.14   0.019% *  0.2168% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLN   32  13.70 +/- 1.43   0.010% *  0.2433% (0.73   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLN   32  14.46 +/- 0.77   0.006% *  0.3343% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLN   32  16.97 +/- 0.88   0.002% *  0.3005% (0.90   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    GLN   32  16.20 +/- 0.93   0.003% *  0.1763% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLN   32  20.16 +/- 1.78   0.001% *  0.3234% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    GLN   32  23.10 +/- 4.69   0.001% *  0.2561% (0.76   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLN   32  18.75 +/- 1.36   0.001% *  0.0932% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    GLN   32  22.60 +/- 1.13   0.000% *  0.1631% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLN   32  30.31 +/- 2.61   0.000% *  0.3170% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 45.7:
          HB3   LEU   31 - HN    GLN   32   3.80 +/- 0.21  99.448% * 98.9137% (0.98   5.93  45.70) =  99.999%  kept
          QG1   VAL   24 - HN    GLN   32   9.65 +/- 0.82   0.465% *  0.1927% (0.57   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    GLN   32  12.80 +/- 0.67   0.074% *  0.1791% (0.53   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    GLN   32  22.54 +/- 2.70   0.003% *  0.3285% (0.97   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLN   32  19.06 +/- 1.01   0.007% *  0.0849% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    GLN   32  29.48 +/- 2.35   0.001% *  0.2338% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    GLN   32  24.89 +/- 3.17   0.002% *  0.0674% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.34, residual support = 11.6:
          QG    GLN   32 - HN    LYS+  33   3.95 +/- 0.55  99.958% * 98.6391% (0.84   4.34  11.62) = 100.000%  kept
          QG    GLU-  79 - HN    LYS+  33  16.29 +/- 0.78   0.027% *  0.2862% (0.53   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    LYS+  33  19.51 +/- 0.74   0.008% *  0.2862% (0.53   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    LYS+  33  21.65 +/- 0.86   0.005% *  0.5022% (0.92   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    LYS+  33  24.90 +/- 2.17   0.002% *  0.2862% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 11.6:
          QB    GLN   32 - HN    LYS+  33   2.94 +/- 0.16  99.945% * 98.5003% (1.00   4.29  11.62) = 100.000%  kept
          HG3   GLU- 100 - HN    LYS+  33  11.88 +/- 1.76   0.034% *  0.3678% (0.80   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    LYS+  33  13.83 +/- 0.35   0.010% *  0.4552% (0.99   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    LYS+  33  17.38 +/- 1.62   0.005% *  0.4240% (0.92   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  33  15.77 +/- 2.55   0.006% *  0.0709% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  33  26.67 +/- 1.17   0.000% *  0.0909% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  28.83 +/- 1.88   0.000% *  0.0909% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1098 (1.87, 7.95, 120.58 ppm):
    15 chemical-shift based assignments, quality = 0.965, support = 5.74, residual support = 147.9:
      O   QB    LYS+  33 - HN    LYS+  33   2.41 +/- 0.33  99.016% * 99.1015% (0.97  10.0   5.74 147.86) = 100.000%  kept
          HB3   GLN   30 - HN    LYS+  33   5.43 +/- 0.33   0.966% *  0.0385% (0.38   1.0   0.02   0.17) =   0.000%
          HB3   LYS+  38 - HN    LYS+  33  10.92 +/- 0.15   0.015% *  0.0581% (0.57   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  33  17.18 +/- 1.41   0.001% *  0.0858% (0.84   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  17.92 +/- 1.00   0.001% *  0.1025% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  33  18.13 +/- 1.70   0.001% *  0.0822% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  19.22 +/- 1.28   0.001% *  0.0921% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  19.83 +/- 0.89   0.000% *  0.1027% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  25.90 +/- 1.05   0.000% *  0.1018% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  25.81 +/- 1.76   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  28.42 +/- 1.60   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  24.63 +/- 4.18   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  26.09 +/- 1.49   0.000% *  0.0256% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  25.96 +/- 0.90   0.000% *  0.0139% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  29.08 +/- 1.44   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 147.9:
          HG2   LYS+  33 - HN    LYS+  33   3.26 +/- 0.58  99.994% * 98.5799% (0.61   4.32 147.86) = 100.000%  kept
          HG2   LYS+ 106 - HN    LYS+  33  20.08 +/- 1.18   0.003% *  0.7258% (0.97   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LYS+  33  19.66 +/- 0.74   0.003% *  0.6943% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.371, support = 5.32, residual support = 143.1:
          HG3   LYS+  33 - HN    LYS+  33   2.90 +/- 1.16  87.235% * 75.8382% (0.38   5.44 147.86) =  96.773%  kept
          HB2   LEU   31 - HN    LYS+  33   4.99 +/- 0.15  12.409% * 17.7642% (0.25   1.92   0.55) =   3.225%  kept
          HB3   LEU   73 - HN    LYS+  33  10.09 +/- 0.76   0.158% *  0.3910% (0.53   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LYS+  33  12.69 +/- 1.18   0.070% *  0.6446% (0.87   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  33  11.72 +/- 0.70   0.074% *  0.3332% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  33  16.02 +/- 1.94   0.015% *  0.4207% (0.57   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  33  17.63 +/- 0.88   0.006% *  0.7030% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LYS+  33  16.94 +/- 0.87   0.008% *  0.4507% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  33  16.11 +/- 0.87   0.010% *  0.2789% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  33  19.53 +/- 0.99   0.004% *  0.5679% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  33  19.12 +/- 1.88   0.005% *  0.3617% (0.49   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  33  21.76 +/- 4.88   0.002% *  0.5679% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+  33  22.94 +/- 1.28   0.001% *  0.7172% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  33  21.04 +/- 1.13   0.002% *  0.3332% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  33  29.64 +/- 1.64   0.000% *  0.4807% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  33  30.50 +/- 2.62   0.000% *  0.1471% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 0.554:
          QD2   LEU   31 - HN    LYS+  33   4.91 +/- 0.12  99.556% * 90.2546% (0.65   0.55   0.55) =  99.976%  kept
          QG2   VAL   83 - HN    LYS+  33  13.00 +/- 1.20   0.364% *  4.9864% (0.99   0.02   0.02) =   0.020%
          QD1   ILE   89 - HN    LYS+  33  16.77 +/- 1.85   0.080% *  4.7590% (0.95   0.02   0.02) =   0.004%
    Distance limit 4.57 A violated in 0 structures by 0.34 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 = 0.735, support = 1.98, residual support = 3.39:
          HA    LYS+  33 - HN    ASN   35   3.81 +/- 0.09  40.201% * 64.9329% (0.98   1.81   1.28) =  59.520%  kept
          HA    GLN   32 - HN    ASN   35   3.58 +/- 0.09  57.741% * 30.7365% (0.38   2.24   6.50) =  40.467%  kept
          HA    GLU-  29 - HN    ASN   35   8.08 +/- 0.22   0.442% *  0.7302% (1.00   0.02   0.02) =   0.007%
          HB2   SER   37 - HN    ASN   35   6.61 +/- 0.29   1.533% *  0.1129% (0.15   0.02   0.02) =   0.004%
          HA    VAL   70 - HN    ASN   35  11.18 +/- 0.96   0.071% *  0.5593% (0.76   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    ASN   35  15.81 +/- 1.01   0.008% *  0.7254% (0.99   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ASN   35  20.29 +/- 1.19   0.002% *  0.7063% (0.97   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ASN   35  25.23 +/- 2.33   0.001% *  0.5593% (0.76   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ASN   35  23.95 +/- 1.53   0.001% *  0.3009% (0.41   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASN   35  27.62 +/- 1.03   0.000% *  0.4734% (0.65   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASN   35  29.43 +/- 1.12   0.000% *  0.1629% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 51.7:
          HA    GLU-  36 - HN    ASN   35   4.90 +/- 0.02  96.979% * 98.5308% (0.97   3.97  51.73) =  99.997%  kept
          HA    ASN   28 - HN    ASN   35   8.81 +/- 0.37   2.981% *  0.1017% (0.20   0.02   0.02) =   0.003%
          HA    ALA  124 - HN    ASN   35  23.59 +/- 6.27   0.019% *  0.4116% (0.80   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASN   35  22.85 +/- 0.84   0.010% *  0.5128% (1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   35  28.40 +/- 1.15   0.003% *  0.3531% (0.69   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   35  23.65 +/- 1.73   0.009% *  0.0900% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.85 A, kept.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.309, support = 5.85, residual support = 55.4:
      O   HB2   ASN   35 - HN    ASN   35   2.45 +/- 0.48  99.578% * 98.5351% (0.31  10.0   5.85  55.42) =  99.999%  kept
          QE    LYS+  33 - HN    ASN   35   6.77 +/- 0.38   0.382% *  0.3185% (1.00   1.0   0.02   1.28) =   0.001%
          HB2   ASN   28 - HN    ASN   35  10.58 +/- 0.30   0.028% *  0.3081% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASN   35  12.97 +/- 1.52   0.008% *  0.0559% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   35  17.91 +/- 1.61   0.001% *  0.2065% (0.65   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   35  20.66 +/- 1.32   0.001% *  0.2769% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ASN   35  20.70 +/- 0.70   0.000% *  0.0796% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   35  25.31 +/- 0.65   0.000% *  0.2193% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.05 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   2.94 +/- 0.05  98.513% * 98.0014% (0.92   3.32  18.77) =  99.996%  kept
          HG3   LYS+  38 - HN    ASN   35   7.13 +/- 0.51   0.525% *  0.3620% (0.57   0.02   0.02) =   0.002%
          QG2   THR   39 - HN    ASN   35   7.02 +/- 0.82   0.952% *  0.1973% (0.31   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    ASN   35  14.80 +/- 0.88   0.006% *  0.6267% (0.98   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ASN   35  21.44 +/- 1.56   0.001% *  0.4886% (0.76   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ASN   35  18.43 +/- 0.61   0.002% *  0.1265% (0.20   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ASN   35  22.12 +/- 1.01   0.001% *  0.1973% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 3.6, residual support = 104.9:
      O   HB2   ASN   28 - HD21  ASN   28   3.50 +/- 0.52  98.748% * 99.6076% (0.97  10.0   3.60 104.88) =  99.999%  kept
          HB2   ASP-  86 - HD21  ASN   28   9.26 +/- 1.65   0.988% *  0.0953% (0.92   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD21  ASN   28  10.87 +/- 1.23   0.165% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD21  ASN   28  11.94 +/- 1.19   0.077% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   28  15.51 +/- 0.81   0.020% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   28  21.52 +/- 2.10   0.002% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.39, residual support = 104.9:
      O   HB3   ASN   28 - HD21  ASN   28   3.64 +/- 0.29  96.926% * 99.7665% (0.90  10.0   3.39 104.88) =  99.996%  kept
          HG2   GLN   30 - HD21  ASN   28   7.13 +/- 1.08   3.069% *  0.1110% (1.00   1.0   0.02   7.79) =   0.004%
          QE    LYS+ 121 - HD21  ASN   28  22.48 +/- 3.18   0.002% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD21  ASN   28  22.63 +/- 4.25   0.003% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.91, residual support = 13.1:
          QG2   VAL   24 - HD21  ASN   28   2.46 +/- 0.62  99.994% * 96.9856% (0.76   1.91  13.06) = 100.000%  kept
          HG    LEU   63 - HD21  ASN   28  20.75 +/- 2.77   0.001% *  1.1933% (0.90   0.02   0.02) =   0.000%
          QG2   VAL  108 - HD21  ASN   28  16.31 +/- 1.41   0.003% *  0.3318% (0.25   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD21  ASN   28  17.36 +/- 1.05   0.002% *  0.2053% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD21  ASN   28  26.51 +/- 2.20   0.000% *  1.2841% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 5.68, residual support = 50.4:
      O   HA    TRP   27 - HN    ASN   28   3.62 +/- 0.02  99.992% * 99.7755% (1.00  10.0   5.68  50.42) = 100.000%  kept
          HA    ALA   91 - HN    ASN   28  19.26 +/- 1.41   0.005% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ASN   28  21.70 +/- 0.82   0.002% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASN   28  25.40 +/- 1.21   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 5.61, residual support = 13.1:
          HA    VAL   24 - HN    ASN   28   3.77 +/- 0.43  99.961% * 99.4516% (0.92   5.61  13.06) = 100.000%  kept
          HA    LYS+  38 - HN    ASN   28  15.21 +/- 0.35   0.028% *  0.1578% (0.41   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ASN   28  18.71 +/- 0.75   0.008% *  0.1578% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASN   28  21.00 +/- 1.62   0.004% *  0.2328% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1124 (3.57, 8.80, 115.33 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.59, residual support = 50.4:
          HB2   TRP   27 - HN    ASN   28   2.75 +/- 0.15  99.989% * 99.2748% (0.80   5.59  50.42) = 100.000%  kept
          HA    THR   77 - HN    ASN   28  12.76 +/- 0.48   0.011% *  0.3703% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ASN   28  20.68 +/- 0.72   0.001% *  0.3550% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (2.93, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.97, residual support = 104.9:
      O   HB2   ASN   28 - HN    ASN   28   2.60 +/- 0.18  99.875% * 99.6076% (0.97  10.0   6.97 104.88) = 100.000%  kept
          QE    LYS+  33 - HN    ASN   28   9.30 +/- 1.29   0.082% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   28  11.11 +/- 1.27   0.025% *  0.0953% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASN   28  11.48 +/- 1.00   0.016% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   28  15.80 +/- 0.70   0.002% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   28  20.55 +/- 1.80   0.000% *  0.1032% (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 1126 (2.73, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.893, support = 6.59, residual support = 104.4:
      O   HB3   ASN   28 - HN    ASN   28   3.54 +/- 0.02  89.650% * 95.9588% (0.90  10.0   6.62 104.88) =  99.530%  kept
          HG2   GLN   30 - HN    ASN   28   5.48 +/- 0.85  10.346% *  3.9233% (1.00   1.0   0.73   7.79) =   0.470%
          QE    LYS+ 121 - HN    ASN   28  22.76 +/- 3.02   0.002% *  0.0777% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    ASN   28  22.48 +/- 4.06   0.002% *  0.0402% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.4, support = 3.03, residual support = 26.0:
          HG3   GLU-  29 - HN    ASN   28   5.23 +/- 0.12  60.849% * 58.6481% (0.20   4.03  35.57) =  71.013%  kept
          HB2   GLU-  25 - HN    ASN   28   5.65 +/- 0.12  38.568% * 37.7604% (0.90   0.57   2.64) =  28.980%  kept
          HB2   MET   96 - HN    ASN   28  12.11 +/- 0.73   0.423% *  0.4539% (0.31   0.02   0.02) =   0.004%
          QG    GLN   17 - HN    ASN   28  16.35 +/- 1.15   0.072% *  1.1776% (0.80   0.02   0.02) =   0.002%
          HB    VAL   70 - HN    ASN   28  17.37 +/- 0.92   0.048% *  1.0679% (0.73   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    ASN   28  17.68 +/- 0.36   0.041% *  0.8920% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.58 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.485, support = 3.21, residual support = 13.1:
          QG2   VAL   24 - HN    ASN   28   3.61 +/- 0.39  76.004% * 50.1529% (0.45   3.44  13.06) =  76.534%  kept
          QG1   VAL   24 - HN    ASN   28   4.56 +/- 0.73  23.984% * 48.7287% (0.61   2.47  13.06) =  23.466%  kept
          QG1   VAL  107 - HN    ASN   28  18.03 +/- 1.03   0.006% *  0.6008% (0.92   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    ASN   28  20.41 +/- 2.58   0.004% *  0.2009% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ASN   28  27.47 +/- 2.49   0.001% *  0.3168% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1129 (0.61, 8.80, 115.33 ppm):
    7 chemical-shift based assignments, quality = 0.546, support = 2.41, residual support = 0.956:
          QD2   LEU   80 - HN    ASN   28   5.49 +/- 0.46  35.351% * 46.8273% (0.45   2.91   1.46) =  51.191%  kept
          QG1   VAL   83 - HN    ASN   28   6.03 +/- 0.94  26.918% * 34.3475% (1.00   0.96   0.29) =  28.591%  kept
          QD1   LEU   73 - HN    ASN   28   5.83 +/- 1.11  37.306% * 17.5216% (0.15   3.17   0.62) =  20.213%  kept
          QG2   ILE   89 - HN    ASN   28  12.47 +/- 1.03   0.280% *  0.4059% (0.57   0.02   0.02) =   0.004%
          QD1   LEU  104 - HN    ASN   28  15.89 +/- 1.06   0.064% *  0.4924% (0.69   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ASN   28  16.38 +/- 2.19   0.062% *  0.1106% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ASN   28  19.43 +/- 2.00   0.020% *  0.2947% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1130 (3.77, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 2.96, residual support = 25.0:
          HA    VAL   24 - HN    TRP   27   3.01 +/- 0.16  99.982% * 98.9984% (0.99   2.96  25.02) = 100.000%  kept
          HA    LYS+  38 - HN    TRP   27  16.54 +/- 0.44   0.004% *  0.4908% (0.73   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    ALA   91  15.02 +/- 0.99   0.008% *  0.0828% (0.12   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    TRP   27  16.88 +/- 0.79   0.003% *  0.1184% (0.18   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    TRP   27  20.30 +/- 1.59   0.001% *  0.2086% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  19.55 +/- 1.14   0.002% *  0.0146% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  27.27 +/- 1.62   0.000% *  0.0606% (0.09   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  26.17 +/- 2.39   0.000% *  0.0258% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 5.47, residual support = 108.1:
      O   HB2   TRP   27 - HN    TRP   27   2.27 +/- 0.12  99.756% * 99.8160% (0.99  10.0   5.47 108.10) = 100.000%  kept
          HD2   PRO   93 - HN    ALA   91   7.28 +/- 0.24   0.096% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91   7.01 +/- 0.77   0.140% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    TRP   27  11.40 +/- 0.49   0.007% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  19.28 +/- 0.85   0.000% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  15.83 +/- 1.10   0.001% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 108.1:
      O   HB3   TRP   27 - HN    TRP   27   2.69 +/- 0.17  99.958% * 99.6559% (0.99  10.0   5.64 108.10) = 100.000%  kept
          HB2   PHE   97 - HN    TRP   27  17.09 +/- 0.71   0.002% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   91  13.48 +/- 2.93   0.021% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    TRP   27  16.20 +/- 1.23   0.002% *  0.0413% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    TRP   27  17.19 +/- 1.03   0.002% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    TRP   27  18.12 +/- 1.84   0.001% *  0.0610% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  15.40 +/- 1.22   0.004% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  16.74 +/- 2.11   0.002% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  18.63 +/- 0.74   0.001% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  17.52 +/- 1.73   0.002% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  15.51 +/- 1.17   0.003% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  22.14 +/- 1.80   0.000% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  18.93 +/- 2.51   0.001% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  27.87 +/- 1.66   0.000% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1133 (2.60, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 0.746, residual support = 1.49:
          HB3   CYS   21 - HN    TRP   27   3.93 +/- 2.68  94.538% * 96.3366% (0.53   0.75   1.49) =  99.904%  kept
          HG2   MET   96 - HN    TRP   27  13.62 +/- 1.05   2.593% *  2.9766% (0.61   0.02   0.02) =   0.085%
          HG2   MET   96 - HN    ALA   91  12.53 +/- 2.23   2.750% *  0.3678% (0.07   0.02   0.02) =   0.011%
          HB3   CYS   21 - HN    ALA   91  17.80 +/- 1.87   0.119% *  0.3190% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 4 structures by 0.94 A, kept.
 
    Peak 1135 (1.50, 7.73, 123.24 ppm):
    20 chemical-shift based assignments, quality = 0.98, support = 4.49, residual support = 22.6:
          QG2   THR   26 - HN    TRP   27   3.22 +/- 0.43  99.515% * 97.6118% (0.98   4.49  22.59) =  99.999%  kept
          HB2   LYS+  74 - HN    TRP   27   9.32 +/- 1.19   0.326% *  0.3549% (0.80   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HN    TRP   27  11.76 +/- 1.24   0.065% *  0.0776% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    TRP   27  20.02 +/- 2.02   0.003% *  0.4423% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    TRP   27  16.51 +/- 0.50   0.007% *  0.0877% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA   91  15.42 +/- 1.43   0.011% *  0.0439% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    TRP   27  21.69 +/- 1.51   0.001% *  0.3388% (0.76   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    TRP   27  18.41 +/- 1.29   0.004% *  0.1232% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    TRP   27  24.34 +/- 2.52   0.001% *  0.4423% (1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  16.02 +/- 2.46   0.033% *  0.0108% (0.02   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  16.58 +/- 1.65   0.006% *  0.0537% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  14.30 +/- 1.87   0.020% *  0.0096% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    TRP   27  23.98 +/- 2.60   0.001% *  0.1232% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  21.92 +/- 2.44   0.001% *  0.0546% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  25.86 +/- 2.02   0.001% *  0.0877% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA   91  24.38 +/- 1.37   0.001% *  0.0546% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  24.20 +/- 1.94   0.001% *  0.0419% (0.09   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  21.00 +/- 1.82   0.002% *  0.0152% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  22.45 +/- 2.18   0.001% *  0.0152% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  23.09 +/- 1.46   0.001% *  0.0108% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 0.848, support = 3.19, residual support = 13.7:
          QD2   LEU   80 - HN    TRP   27   4.39 +/- 0.84  58.745% * 44.3728% (0.76   3.34  14.10) =  62.077%  kept
          QD1   LEU   73 - HN    TRP   27   5.42 +/- 1.04  30.350% * 51.7518% (1.00   2.98  13.15) =  37.405%  kept
          QG1   VAL   83 - HN    TRP   27   6.19 +/- 1.04   8.330% *  2.5936% (0.15   0.97   3.52) =   0.514%  kept
          QG2   VAL   41 - HN    TRP   27   8.35 +/- 1.13   1.522% *  0.0471% (0.14   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    TRP   27  15.46 +/- 2.16   0.043% *  0.3474% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   91  10.45 +/- 0.89   0.406% *  0.0329% (0.09   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    TRP   27  16.04 +/- 2.24   0.035% *  0.2111% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  16.56 +/- 1.06   0.020% *  0.1832% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    TRP   27  18.49 +/- 1.80   0.010% *  0.2788% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   91  10.26 +/- 0.51   0.342% *  0.0066% (0.02   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ALA   91  14.89 +/- 1.25   0.043% *  0.0429% (0.12   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   91  15.47 +/- 1.91   0.043% *  0.0429% (0.12   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   91  14.39 +/- 1.65   0.048% *  0.0344% (0.10   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   91  17.35 +/- 1.98   0.020% *  0.0261% (0.07   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  18.84 +/- 1.38   0.010% *  0.0226% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  15.49 +/- 1.20   0.033% *  0.0058% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1137 (0.14, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 0.927, residual support = 4.25:
          QG2   VAL   75 - HN    TRP   27   5.87 +/- 0.89  86.517% * 97.2569% (0.95   0.93   4.25) =  99.928%  kept
          QG2   VAL   75 - HN    ALA   91   9.38 +/- 1.50  11.804% *  0.2590% (0.12   0.02   0.02) =   0.036%
          QG2   VAL   42 - HN    TRP   27  11.99 +/- 0.71   1.315% *  2.2109% (1.00   0.02   0.02) =   0.035%
          QG2   VAL   42 - HN    ALA   91  15.11 +/- 1.25   0.364% *  0.2732% (0.12   0.02   0.02) =   0.001%
    Distance limit 4.44 A violated in 13 structures by 1.43 A, kept.
 
    Peak 1138 (4.49, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.71, residual support = 108.1:
          HA    TRP   27 - HE1   TRP   27   5.67 +/- 0.41  99.547% * 98.3479% (1.00   2.71 108.10) =  99.997%  kept
          HA    ALA   91 - HE1   TRP   27  16.68 +/- 1.78   0.266% *  0.6891% (0.95   0.02   0.02) =   0.002%
          HA    VAL  107 - HE1   TRP   27  16.96 +/- 1.03   0.161% *  0.6084% (0.84   0.02   0.02) =   0.001%
          HA    PRO   52 - HE1   TRP   27  22.97 +/- 1.08   0.027% *  0.3546% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 9 structures by 0.87 A, kept.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.791, support = 1.62, residual support = 11.4:
          QD1   LEU   73 - HE1   TRP   27   5.07 +/- 2.06  46.180% * 43.2008% (0.87   1.80  13.15) =  71.633%  kept
          QG1   VAL   83 - HE1   TRP   27   5.14 +/- 1.80  47.820% * 11.1532% (0.41   0.98   3.52) =  19.150%  kept
          QD2   LEU   80 - HE1   TRP   27   6.28 +/- 0.99   5.835% * 43.9800% (0.99   1.60  14.10) =   9.214%  kept
          QD1   LEU  104 - HE1   TRP   27  12.03 +/- 1.36   0.064% *  0.4800% (0.87   0.02   0.02) =   0.001%
          QD1   LEU   63 - HE1   TRP   27  13.73 +/- 2.39   0.041% *  0.4800% (0.87   0.02   0.02) =   0.001%
          QD2   LEU  115 - HE1   TRP   27  16.32 +/- 2.28   0.019% *  0.5521% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HE1   TRP   27  14.24 +/- 2.73   0.041% *  0.1539% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.535, support = 1.58, residual support = 10.9:
          QD2   LEU   31 - HE1   TRP   27   3.23 +/- 1.08  75.944% * 38.9707% (0.31   1.90  11.77) =  66.842%  kept
          QG2   VAL   43 - HE1   TRP   27   4.35 +/- 1.03  24.056% * 61.0293% (0.99   0.93   9.16) =  33.158%  kept
    Distance limit 3.84 A violated in 1 structures by 0.08 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.4, residual support = 27.9:
          HB2   GLU-  25 - HN    THR   26   2.57 +/- 0.19  98.283% * 98.9208% (0.90   5.40  27.86) =  99.999%  kept
          HG3   GLU-  29 - HN    THR   26   5.27 +/- 0.29   1.709% *  0.0809% (0.20   0.02   1.54) =   0.001%
          QG    GLN   17 - HN    THR   26  15.19 +/- 1.17   0.003% *  0.3273% (0.80   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    THR   26  14.40 +/- 0.84   0.004% *  0.1262% (0.31   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    THR   26  18.72 +/- 0.96   0.001% *  0.2968% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    THR   26  20.55 +/- 0.43   0.000% *  0.2479% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 27.9:
          HB3   GLU-  25 - HN    THR   26   3.34 +/- 0.14  97.283% * 95.4985% (0.57   5.26  27.86) =  99.987%  kept
          HG3   GLN   30 - HN    THR   26   6.88 +/- 0.49   1.482% *  0.5360% (0.84   0.02   5.01) =   0.009%
          HB2   GLN   30 - HN    THR   26   7.65 +/- 0.93   1.026% *  0.3376% (0.53   0.02   5.01) =   0.004%
          HB    ILE   19 - HN    THR   26  10.04 +/- 1.12   0.180% *  0.1270% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR   26  15.95 +/- 1.75   0.014% *  0.4904% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR   26  16.43 +/- 0.83   0.008% *  0.4904% (0.76   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   26  20.08 +/- 1.92   0.002% *  0.3892% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    THR   26  23.00 +/- 1.84   0.001% *  0.6403% (1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    THR   26  23.17 +/- 1.92   0.001% *  0.1981% (0.31   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   26  25.42 +/- 1.91   0.001% *  0.3376% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    THR   26  28.90 +/- 1.88   0.000% *  0.5360% (0.84   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   26  24.46 +/- 1.98   0.001% *  0.1600% (0.25   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    THR   26  24.18 +/- 1.24   0.001% *  0.1600% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR   26  23.24 +/- 1.14   0.001% *  0.0990% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 35.2:
          QG2   THR   26 - HN    THR   26   3.52 +/- 0.22  99.720% * 98.0838% (0.95   4.46  35.22) =  99.999%  kept
          HB2   LYS+  74 - HN    THR   26  10.24 +/- 1.44   0.268% *  0.4611% (0.99   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    THR   26  21.18 +/- 2.12   0.003% *  0.4172% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    THR   26  18.65 +/- 0.48   0.005% *  0.2086% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   26  23.08 +/- 1.50   0.001% *  0.2086% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   26  26.54 +/- 2.36   0.001% *  0.3886% (0.84   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   26  24.25 +/- 1.61   0.001% *  0.1160% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   26  24.29 +/- 1.74   0.001% *  0.1160% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.583, support = 0.0199, residual support = 0.0199:
          HB3   LEU   80 - HN    THR   26   8.47 +/- 0.97  57.949% *  8.4695% (0.53   0.02   0.02) =  53.724%  kept
          HB2   LEU   31 - HN    THR   26   9.61 +/- 0.59  28.539% * 11.0578% (0.69   0.02   0.02) =  34.544%  kept
          QG2   THR   77 - HN    THR   26  11.68 +/- 0.43   8.320% *  7.8357% (0.49   0.02   0.02) =   7.136%  kept
          HB3   ASP-  44 - HN    THR   26  14.30 +/- 1.16   3.089% *  4.9686% (0.31   0.02   0.02) =   1.680%  kept
          QB    ALA   88 - HN    THR   26  16.83 +/- 0.90   0.932% * 13.9639% (0.87   0.02   0.02) =   1.424%  kept
          HG2   LYS+  38 - HN    THR   26  19.94 +/- 0.54   0.337% * 16.0623% (1.00   0.02   0.02) =   0.592%  kept
          HG2   LYS+  99 - HN    THR   26  20.62 +/- 1.19   0.310% * 15.5357% (0.97   0.02   0.02) =   0.526%  kept
          HB2   LEU   63 - HN    THR   26  20.16 +/- 1.89   0.390% *  6.6181% (0.41   0.02   0.02) =   0.283%
          HG2   LYS+ 111 - HN    THR   26  29.15 +/- 2.60   0.044% * 12.3026% (0.76   0.02   0.02) =   0.059%
          QB    ALA  124 - HN    THR   26  26.15 +/- 3.27   0.090% *  3.1858% (0.20   0.02   0.02) =   0.032%
    Distance limit 4.50 A violated in 20 structures by 3.15 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 = 33.7:
      O   HA    VAL   24 - HN    GLU-  25   3.57 +/- 0.02  99.992% * 99.8455% (0.92  10.0   5.66  33.68) = 100.000%  kept
          HA    ALA   61 - HN    GLU-  25  19.85 +/- 0.91   0.004% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    GLU-  25  19.87 +/- 0.40   0.003% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    GLU-  25  24.08 +/- 1.57   0.001% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 6.02, residual support = 127.1:
      O   HB2   GLU-  25 - HN    GLU-  25   2.86 +/- 0.35  98.968% * 99.5608% (0.61  10.0   6.02 127.10) =  99.999%  kept
          HG3   GLU-  29 - HN    GLU-  25   6.78 +/- 0.61   0.862% *  0.0736% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    GLU-  25   8.76 +/- 0.56   0.164% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    GLU-  25  17.31 +/- 1.12   0.003% *  0.0799% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  17.56 +/- 0.85   0.002% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  25  22.28 +/- 0.34   0.001% *  0.1472% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  20.60 +/- 0.97   0.001% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1147 (2.02, 8.78, 120.28 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.87, residual support = 127.1:
      O   HB3   GLU-  25 - HN    GLU-  25   2.44 +/- 0.62  99.828% * 98.7761% (0.57  10.0   5.87 127.10) = 100.000%  kept
          HG3   GLN   30 - HN    GLU-  25   9.17 +/- 0.42   0.087% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLU-  25   9.77 +/- 0.84   0.065% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU-  25  12.41 +/- 0.89   0.015% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU-  25  18.31 +/- 1.72   0.002% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU-  25  18.65 +/- 0.74   0.001% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLU-  25  20.99 +/- 1.85   0.001% *  0.1058% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU-  25  25.21 +/- 1.68   0.000% *  0.1741% (1.00   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  22.85 +/- 1.98   0.001% *  0.0538% (0.31   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLU-  25  26.49 +/- 1.92   0.000% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLU-  25  29.01 +/- 1.87   0.000% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  24.39 +/- 1.39   0.000% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  24.77 +/- 1.81   0.000% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  25.37 +/- 1.12   0.000% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1148 (1.29, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.25, residual support = 5.89:
          QG2   THR   23 - HN    GLU-  25   2.79 +/- 1.13  99.799% * 98.6074% (0.73   3.25   5.89) =  99.999%  kept
          QG2   THR   77 - HN    GLU-  25  10.89 +/- 0.61   0.127% *  0.6073% (0.73   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    GLU-  25  12.31 +/- 0.33   0.055% *  0.3139% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU-  25  15.38 +/- 0.80   0.013% *  0.2853% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU-  25  19.02 +/- 2.27   0.005% *  0.1862% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 4.57, residual support = 33.7:
          QG2   VAL   24 - HN    GLU-  25   3.31 +/- 0.63  99.993% * 99.2391% (0.97   4.57  33.68) = 100.000%  kept
          HG    LEU   63 - HN    GLU-  25  22.52 +/- 2.73   0.002% *  0.3903% (0.87   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLU-  25  19.59 +/- 1.30   0.004% *  0.1689% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    GLU-  25  27.53 +/- 2.27   0.001% *  0.2017% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.28, residual support = 127.1:
          HG2   GLU-  25 - HN    GLU-  25   3.77 +/- 0.39  99.959% * 99.4321% (0.97   5.28 127.10) = 100.000%  kept
          HB3   TRP   87 - HN    GLU-  25  14.99 +/- 1.15   0.032% *  0.1204% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   95 - HN    GLU-  25  19.04 +/- 1.15   0.008% *  0.1899% (0.49   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    GLU-  25  28.27 +/- 1.52   0.001% *  0.1604% (0.41   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  25  29.49 +/- 1.74   0.001% *  0.0973% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 4.04, residual support = 63.1:
      O   HA    VAL   24 - HN    VAL   24   2.75 +/- 0.05  99.998% * 99.8455% (0.92  10.0   4.04  63.10) = 100.000%  kept
          HA    ALA   61 - HN    VAL   24  18.57 +/- 1.17   0.001% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  20.45 +/- 0.68   0.001% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   24  23.51 +/- 1.63   0.000% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (2.12, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 4.37, residual support = 63.1:
      O   HB    VAL   24 - HN    VAL   24   2.24 +/- 0.25  98.998% * 99.7135% (0.95  10.0   4.37  63.10) = 100.000%  kept
          HB3   GLU-  79 - HN    VAL   24   6.09 +/- 1.11   0.997% *  0.0163% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    VAL   24  12.16 +/- 0.36   0.005% *  0.0945% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    VAL   24  21.33 +/- 1.26   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    VAL   24  24.86 +/- 1.52   0.000% *  0.0724% (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 1153 (1.29, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 4.75, residual support = 17.2:
          QG2   THR   23 - HN    VAL   24   3.26 +/- 0.66  99.305% * 99.0434% (0.73   4.75  17.23) =  99.997%  kept
          QG2   THR   77 - HN    VAL   24   8.71 +/- 0.69   0.601% *  0.4171% (0.73   0.02   0.02) =   0.003%
          QB    ALA   34 - HN    VAL   24  12.69 +/- 0.53   0.051% *  0.2156% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    VAL   24  13.69 +/- 0.70   0.030% *  0.1959% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    VAL   24  17.20 +/- 2.34   0.013% *  0.1279% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 0.84, support = 3.88, residual support = 63.1:
          QG1   VAL   24 - HN    VAL   24   2.57 +/- 0.55  76.587% * 76.7964% (0.90   3.79  63.10) =  91.882%  kept
          QG2   VAL   24 - HN    VAL   24   3.48 +/- 0.27  23.404% * 22.2028% (0.20   4.96  63.10) =   8.118%  kept
          HB3   LEU   31 - HN    VAL   24  12.55 +/- 0.50   0.007% *  0.1007% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    VAL   24  18.00 +/- 1.56   0.001% *  0.4483% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL   24  26.17 +/- 2.87   0.000% *  0.3622% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    VAL   24  22.43 +/- 2.27   0.000% *  0.0895% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 2.93, residual support = 10.2:
          QD2   LEU   80 - HN    VAL   24   2.40 +/- 0.44  95.585% * 96.3697% (0.76   2.93  10.18) =  99.993%  kept
          QG1   VAL   83 - HN    VAL   24   4.65 +/- 0.77   4.330% *  0.1328% (0.15   0.02   0.68) =   0.006%
          QD1   LEU   73 - HN    VAL   24   8.39 +/- 1.24   0.067% *  0.8586% (1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    VAL   24  10.91 +/- 1.46   0.014% *  0.1165% (0.14   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    VAL   24  16.87 +/- 2.45   0.001% *  0.8586% (1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   24  19.13 +/- 1.76   0.001% *  0.6891% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    VAL   24  17.85 +/- 2.49   0.001% *  0.5220% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   24  18.58 +/- 1.34   0.001% *  0.4528% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 5.09, residual support = 21.1:
          HB2   HIS   22 - HN    THR   23   4.49 +/- 0.05  99.970% * 99.6165% (0.99   5.09  21.07) = 100.000%  kept
          HA    LEU   63 - HN    THR   23  20.06 +/- 1.47   0.014% *  0.3300% (0.84   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    THR   23  20.45 +/- 2.73   0.016% *  0.0535% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1157 (3.23, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.68, residual support = 21.1:
          HB3   HIS   22 - HN    THR   23   4.37 +/- 0.21  99.963% * 99.7201% (0.76   5.68  21.07) = 100.000%  kept
          HB2   PHE   95 - HN    THR   23  17.39 +/- 0.96   0.028% *  0.0909% (0.20   0.02   0.02) =   0.000%
          HD3   ARG+  54 - HN    THR   23  21.10 +/- 1.38   0.009% *  0.1889% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.22, residual support = 4.32:
          HB3   CYS   21 - HN    THR   23   4.56 +/- 0.56 100.000% *100.0000% (1.00   2.22   4.32) = 100.000%  kept
    Distance limit 4.43 A violated in 3 structures by 0.25 A, kept.
 
    Peak 1159 (1.49, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.724, support = 1.85, residual support = 12.6:
          QG2   THR   26 - HN    THR   23   4.62 +/- 0.30  83.531% * 94.2997% (0.73   1.86  12.60) =  99.725%  kept
          HB2   LYS+  74 - HN    THR   23   7.03 +/- 1.46  16.403% *  1.3212% (0.95   0.02   0.02) =   0.274%
          HG2   LYS+  65 - HN    THR   23  18.99 +/- 2.41   0.023% *  0.9035% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    THR   23  19.13 +/- 0.78   0.016% *  1.0142% (0.73   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   23  21.80 +/- 1.61   0.008% *  0.6798% (0.49   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   23  22.88 +/- 1.33   0.006% *  0.6798% (0.49   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   23  25.42 +/- 2.20   0.004% *  0.7907% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   23  21.58 +/- 1.38   0.009% *  0.3109% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.74, residual support = 18.4:
          QG2   THR   23 - HN    THR   23   3.09 +/- 0.61  99.746% * 97.6961% (0.41   4.74  18.44) =  99.998%  kept
          QG2   THR   77 - HN    THR   23   9.27 +/- 0.57   0.210% *  0.9677% (0.97   0.02   0.02) =   0.002%
          QB    ALA   88 - HN    THR   23  16.09 +/- 0.74   0.008% *  0.6487% (0.65   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    THR   23  12.63 +/- 0.37   0.034% *  0.1547% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   23  22.36 +/- 0.45   0.001% *  0.3095% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   23  21.88 +/- 1.06   0.001% *  0.2233% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.306, support = 2.26, residual support = 6.01:
          QD2   LEU   80 - HN    THR   23   4.30 +/- 0.72  46.535% * 55.3975% (0.20   3.23   6.02) =  56.745%  kept
          QD1   LEU   80 - HN    THR   23   4.32 +/- 1.08  50.628% * 38.7621% (0.45   1.00   6.02) =  43.197%  kept
          QD1   LEU   73 - HN    THR   23   7.69 +/- 0.93   2.331% *  0.9124% (0.53   0.02   0.02) =   0.047%
          QG2   VAL   41 - HN    THR   23  11.20 +/- 1.14   0.262% *  1.1218% (0.65   0.02   0.02) =   0.006%
          QD2   LEU   98 - HN    THR   23  12.33 +/- 1.16   0.144% *  0.7775% (0.45   0.02   0.02) =   0.002%
          QD2   LEU   63 - HN    THR   23  16.32 +/- 2.15   0.036% *  1.7303% (1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    THR   23  15.41 +/- 2.09   0.053% *  0.9124% (0.53   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    THR   23  18.05 +/- 1.60   0.011% *  0.3861% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 1 structures by 0.20 A, kept.
 
    Peak 1162 (3.23, 9.10, 120.75 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.46, residual support = 34.8:
      O   HB3   HIS   22 - HN    HIS   22   3.45 +/- 0.38  99.998% * 99.9260% (0.98  10.0   3.46  34.83) = 100.000%  kept
          HD3   ARG+  54 - HN    HIS   22  22.08 +/- 1.92   0.002% *  0.0740% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 6.47, residual support = 166.2:
          HG3   ARG+  54 - HN    ARG+  54   3.50 +/- 0.44  69.262% * 94.9809% (0.26   6.49 166.74) =  99.651%  kept
          QB    ALA   57 - HN    ARG+  54   4.25 +/- 0.60  28.139% *  0.8043% (0.72   0.02   0.02) =   0.343%
          QB    ALA   57 - HN    ASP-  62   6.37 +/- 0.46   2.281% *  0.1505% (0.14   0.02   0.02) =   0.005%
          HD2   LYS+  74 - HN    ARG+  54  11.93 +/- 1.44   0.067% *  0.4718% (0.42   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ASP-  62  10.58 +/- 1.34   0.141% *  0.0883% (0.08   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ARG+  54  15.17 +/- 1.73   0.014% *  0.8427% (0.76   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ASP-  62  12.76 +/- 1.70   0.045% *  0.1930% (0.17   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HN    ASP-  62  13.03 +/- 1.43   0.040% *  0.0547% (0.05   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ARG+  54  21.78 +/- 1.76   0.001% *  1.0315% (0.93   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ASP-  62  17.97 +/- 1.52   0.005% *  0.1930% (0.17   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ARG+  54  24.22 +/- 1.51   0.001% *  1.0315% (0.93   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ASP-  62  18.34 +/- 2.21   0.004% *  0.1577% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 3.39, residual support = 29.3:
      O   HB2   CYS   21 - HN    CYS   21   2.62 +/- 0.38  99.959% * 99.8975% (0.90  10.0   3.39  29.34) = 100.000%  kept
          HB2   PHE   45 - HN    CYS   21  12.07 +/- 0.99   0.015% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  11.92 +/- 1.10   0.018% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  14.36 +/- 1.21   0.007% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    ILE  119  21.01 +/- 2.18   0.000% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  23.34 +/- 1.97   0.000% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.39, residual support = 29.3:
      O   HB3   CYS   21 - HN    CYS   21   3.45 +/- 0.40  99.941% * 99.8170% (0.53  10.0   3.39  29.34) = 100.000%  kept
          HG2   MET   96 - HN    CYS   21  14.50 +/- 1.30   0.023% *  0.1151% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   MET   96 - HN    ILE  119  13.98 +/- 2.28   0.034% *  0.0364% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ILE  119  21.97 +/- 2.20   0.002% *  0.0315% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.288, support = 0.0193, residual support = 0.0694:
          HG    LEU  123 - HN    ILE  119   7.08 +/- 1.13  43.440% *  3.5886% (0.32   0.02   0.10) =  59.709%  kept
          HB3   ASP- 105 - HN    ILE  119   8.58 +/- 2.90  28.878% *  1.1101% (0.10   0.02   0.02) =  12.279%  kept
          QB    LYS+  66 - HN    ILE  119   9.00 +/- 1.18  12.467% *  2.1815% (0.19   0.02   0.02) =  10.417%  kept
          HB    VAL   41 - HN    CYS   21  12.71 +/- 1.20   1.465% *  9.1141% (0.80   0.02   0.02) =   5.114%  kept
          QB    LYS+  33 - HN    CYS   21  10.94 +/- 0.63   3.475% *  2.5341% (0.22   0.02   0.02) =   3.372%  kept
          HG3   PRO   68 - HN    ILE  119  13.59 +/- 3.69   5.246% *  1.4786% (0.13   0.02   0.02) =   2.971%  kept
          HG12  ILE  103 - HN    CYS   21  16.92 +/- 1.46   0.242% * 10.5070% (0.92   0.02   0.02) =   0.973%  kept
          QB    LYS+  66 - HN    CYS   21  16.30 +/- 1.20   0.280% *  6.9036% (0.61   0.02   0.02) =   0.740%  kept
          HB3   PRO   52 - HN    ILE  119  16.18 +/- 1.63   0.386% *  3.5886% (0.32   0.02   0.02) =   0.531%  kept
          HG2   PRO   93 - HN    ILE  119  13.93 +/- 1.62   1.122% *  1.2268% (0.11   0.02   0.02) =   0.527%  kept
          HG12  ILE  103 - HN    ILE  119  15.98 +/- 2.42   0.391% *  3.3201% (0.29   0.02   0.02) =   0.497%
          HB    VAL   41 - HN    ILE  119  15.79 +/- 2.40   0.437% *  2.8799% (0.25   0.02   0.02) =   0.482%
          HG2   PRO   93 - HN    CYS   21  16.53 +/- 1.86   0.311% *  3.8825% (0.34   0.02   0.02) =   0.463%
          HB3   PRO   52 - HN    CYS   21  20.02 +/- 1.30   0.086% * 11.3569% (1.00   0.02   0.02) =   0.373%
          HG2   ARG+  54 - HN    CYS   21  17.94 +/- 1.46   0.184% *  3.8825% (0.34   0.02   0.02) =   0.274%
          HG3   PRO   68 - HN    CYS   21  18.83 +/- 1.34   0.116% *  4.6793% (0.41   0.02   0.02) =   0.209%
          HB    ILE  103 - HN    ILE  119  16.22 +/- 2.20   0.353% *  1.3499% (0.12   0.02   0.02) =   0.182%
          HG    LEU  123 - HN    CYS   21  23.02 +/- 2.15   0.041% * 11.3569% (1.00   0.02   0.02) =   0.178%
          HB    ILE  103 - HN    CYS   21  19.25 +/- 1.25   0.104% *  4.2718% (0.38   0.02   0.02) =   0.171%
          HB3   ASP- 105 - HN    CYS   21  19.38 +/- 1.91   0.105% *  3.5131% (0.31   0.02   0.02) =   0.141%
          HG2   ARG+  54 - HN    ILE  119  17.02 +/- 1.44   0.253% *  1.2268% (0.11   0.02   0.02) =   0.119%
          QB    LYS+ 102 - HN    CYS   21  18.87 +/- 1.34   0.121% *  1.9934% (0.18   0.02   0.02) =   0.092%
          HB3   GLN   90 - HN    CYS   21  19.01 +/- 1.26   0.116% *  1.9934% (0.18   0.02   0.02) =   0.089%
          QB    LYS+ 102 - HN    ILE  119  16.93 +/- 2.07   0.258% *  0.6299% (0.06   0.02   0.02) =   0.062%
          QB    LYS+  33 - HN    ILE  119  20.54 +/- 1.89   0.081% *  0.8007% (0.07   0.02   0.02) =   0.025%
          HB3   GLN   90 - HN    ILE  119  22.83 +/- 1.26   0.040% *  0.6299% (0.06   0.02   0.02) =   0.010%
    Distance limit 3.57 A violated in 20 structures by 2.43 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.562, support = 5.5, residual support = 135.3:
          QB    ALA   20 - HN    CYS   21   3.57 +/- 0.08  42.496% * 55.6958% (0.80   3.72  15.46) =  51.410%  kept
          HG13  ILE  119 - HN    ILE  119   3.43 +/- 0.58  52.380% * 42.7023% (0.31   7.38 262.08) =  48.585%  kept
          QG2   VAL  107 - HN    ILE  119   5.93 +/- 1.23   3.597% *  0.0263% (0.07   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HN    ILE  119   6.84 +/- 0.63   1.066% *  0.0486% (0.13   0.02   2.53) =   0.001%
          QG1   VAL   24 - HN    CYS   21   8.37 +/- 0.50   0.282% *  0.1154% (0.31   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    ILE  119   9.91 +/- 1.52   0.143% *  0.0486% (0.13   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  13.00 +/- 0.89   0.019% *  0.3608% (0.97   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  17.75 +/- 1.91   0.004% *  0.3665% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    CYS   21  15.74 +/- 1.12   0.006% *  0.0832% (0.22   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  17.78 +/- 0.79   0.003% *  0.0946% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  22.31 +/- 2.29   0.001% *  0.1537% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  21.83 +/- 2.41   0.001% *  0.1140% (0.30   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  24.06 +/- 2.17   0.001% *  0.1537% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  20.59 +/- 2.19   0.002% *  0.0365% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.538, support = 1.74, residual support = 5.18:
          QD2   LEU   73 - HN    CYS   21   5.19 +/- 0.93  46.799% * 75.4208% (0.57   1.85   5.72) =  90.281%  kept
          QD1   ILE   19 - HN    CYS   21   6.01 +/- 1.13  22.625% * 13.9590% (0.22   0.87   0.13) =   8.078%  kept
          QG2   VAL   18 - HN    CYS   21   6.68 +/- 1.17  15.309% *  3.5149% (0.65   0.08   0.02) =   1.376%  kept
          QG2   THR   46 - HN    CYS   21   7.62 +/- 1.06   5.799% *  0.7568% (0.53   0.02   0.02) =   0.112%
          QG1   VAL   43 - HN    CYS   21   8.24 +/- 1.25   3.161% *  1.2478% (0.87   0.02   0.02) =   0.101%
          QD1   ILE   56 - HN    ILE  119   7.52 +/- 0.84   4.602% *  0.1403% (0.10   0.02   0.02) =   0.017%
          QG1   VAL   41 - HN    CYS   21  11.08 +/- 1.14   0.453% *  1.4100% (0.98   0.02   0.02) =   0.016%
          HG    LEU   31 - HN    CYS   21  11.04 +/- 1.06   0.446% *  1.0446% (0.73   0.02   0.02) =   0.012%
          QG1   VAL   43 - HN    ILE  119  12.43 +/- 1.79   0.236% *  0.3943% (0.27   0.02   0.02) =   0.002%
          QG2   VAL   18 - HN    ILE  119  12.53 +/- 1.06   0.181% *  0.2941% (0.20   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    ILE  119  14.51 +/- 2.03   0.092% *  0.4456% (0.31   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    CYS   21  15.19 +/- 1.29   0.066% *  0.4440% (0.31   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    ILE  119  14.36 +/- 1.47   0.094% *  0.2573% (0.18   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ILE  119  14.62 +/- 1.59   0.089% *  0.2392% (0.17   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    ILE  119  16.55 +/- 1.65   0.039% *  0.1012% (0.07   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    ILE  119  20.93 +/- 2.18   0.009% *  0.3301% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.315, support = 3.75, residual support = 5.92:
          QD1   LEU   73 - HN    CYS   21   5.86 +/- 1.14   8.248% * 73.5774% (0.53   4.56   5.72) =  49.311%  kept
          QD2   LEU  115 - HN    ILE  119   4.10 +/- 0.77  51.575% *  8.1901% (0.07   3.79   8.44) =  34.324%  kept
          QD1   LEU   63 - HN    ILE  119   5.33 +/- 1.52  16.964% *  7.8442% (0.17   1.54   1.47) =  10.813%  kept
          QD2   LEU   80 - HN    CYS   21   6.20 +/- 1.26   6.652% *  5.0812% (0.20   0.84   0.02) =   2.746%  kept
          QD2   LEU   63 - HN    ILE  119   5.98 +/- 1.54  11.634% *  2.8478% (0.32   0.29   1.47) =   2.692%  kept
          QD1   LEU   80 - HN    CYS   21   6.67 +/- 1.16   4.253% *  0.2752% (0.45   0.02   0.02) =   0.095%
          QG2   VAL   41 - HN    CYS   21   9.67 +/- 1.30   0.319% *  0.3971% (0.65   0.02   0.02) =   0.010%
          QD2   LEU   63 - HN    CYS   21  13.36 +/- 1.96   0.056% *  0.6124% (1.00   0.02   0.02) =   0.003%
          QD2   LEU   98 - HN    CYS   21  11.35 +/- 1.33   0.110% *  0.2752% (0.45   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    CYS   21  12.65 +/- 1.72   0.073% *  0.3229% (0.53   0.02   0.02) =   0.002%
          QG2   VAL   41 - HN    ILE  119  13.98 +/- 1.90   0.030% *  0.1255% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ILE  119  13.70 +/- 2.32   0.038% *  0.0870% (0.14   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE  119  14.76 +/- 1.83   0.022% *  0.1020% (0.17   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    CYS   21  15.83 +/- 1.63   0.015% *  0.1367% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ILE  119  19.05 +/- 1.63   0.005% *  0.0870% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE  119  18.29 +/- 1.51   0.005% *  0.0384% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 0.285, support = 5.71, residual support = 41.5:
          HN    THR  118 - HN    ILE  119   2.62 +/- 0.13  96.569% * 53.3203% (0.28   5.79  42.27) =  97.308%  kept
          HN    GLN  116 - HN    ILE  119   4.68 +/- 0.27   3.181% * 44.7448% (0.53   2.57  14.52) =   2.690%  kept
          HN    GLU- 114 - HN    ILE  119   7.82 +/- 0.43   0.155% *  0.6264% (0.95   0.02   0.02) =   0.002%
          HN    PHE   60 - HN    ILE  119   8.91 +/- 0.65   0.076% *  0.0896% (0.14   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ILE  119  14.14 +/- 2.29   0.005% *  0.6264% (0.95   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    CYS   21  12.60 +/- 0.97   0.009% *  0.1979% (0.30   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    CYS   21  14.19 +/- 0.75   0.004% *  0.0283% (0.04   0.02   0.02) =   0.000%
          HN    GLU- 114 - HN    CYS   21  23.63 +/- 1.32   0.000% *  0.1979% (0.30   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    CYS   21  21.89 +/- 1.19   0.000% *  0.1101% (0.17   0.02   0.02) =   0.000%
          HN    THR  118 - HN    CYS   21  21.32 +/- 1.46   0.000% *  0.0582% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.536, support = 2.56, residual support = 17.7:
          QE    PHE   59 - HN    ILE  119   3.87 +/- 0.63  80.175% * 25.4292% (0.22   3.00  20.46) =  59.571%  kept
          HN    HIS  122 - HN    ILE  119   5.08 +/- 0.12  19.026% * 72.7100% (1.00   1.91  13.71) =  40.420%  kept
          HN    PHE   59 - HN    ILE  119   8.98 +/- 0.81   0.667% *  0.4311% (0.57   0.02  20.46) =   0.008%
          HH2   TRP   87 - HN    CYS   21  14.75 +/- 1.82   0.052% *  0.2401% (0.32   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE  119  19.43 +/- 2.50   0.008% *  0.7598% (1.00   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    CYS   21  14.92 +/- 2.49   0.052% *  0.0536% (0.07   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    CYS   21  16.63 +/- 0.72   0.015% *  0.1362% (0.18   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    CYS   21  21.20 +/- 2.09   0.004% *  0.2401% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.95, residual support = 15.5:
          HN    ALA   20 - HN    CYS   21   4.24 +/- 0.15  99.992% * 99.7864% (0.95   2.95  15.46) = 100.000%  kept
          HN    ALA   20 - HN    ILE  119  20.56 +/- 0.82   0.008% *  0.2136% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1175 (7.42, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 5.54, residual support = 54.9:
        T HN    ALA  120 - HN    ILE  119   2.59 +/- 0.10  97.528% * 95.2884% (1.00 10.00   5.55  54.94) =  99.891%  kept
          HE21  GLN  116 - HN    ILE  119   5.65 +/- 1.24   2.411% *  4.2173% (0.80  1.00   1.11  14.52) =   0.109%
          HN    ALA   57 - HN    ILE  119  11.79 +/- 1.08   0.014% *  0.0692% (0.73  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    ILE  119  10.65 +/- 0.41   0.021% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  11.78 +/- 2.07   0.023% *  0.0053% (0.06  1.00   0.02   0.02) =   0.000%
        T HN    ALA  120 - HN    CYS   21  21.99 +/- 1.70   0.000% *  0.3011% (0.32 10.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  16.45 +/- 0.67   0.002% *  0.0219% (0.23  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  20.37 +/- 1.73   0.000% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  23.00 +/- 1.79   0.000% *  0.0241% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  19.64 +/- 2.04   0.001% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  24.63 +/- 1.65   0.000% *  0.0189% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  24.59 +/- 3.13   0.000% *  0.0075% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 5.37, residual support = 42.3:
          HB    THR  118 - HN    ILE  119   3.19 +/- 0.25  99.921% * 98.0736% (0.98   5.37  42.27) = 100.000%  kept
          QB    SER   13 - HN    CYS   21  14.41 +/- 1.87   0.024% *  0.0855% (0.23   0.02   0.02) =   0.000%
          HB    THR   39 - HN    CYS   21  14.35 +/- 0.93   0.014% *  0.0899% (0.24   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE  119  18.23 +/- 2.39   0.004% *  0.2846% (0.76   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ILE  119  18.89 +/- 1.33   0.003% *  0.3340% (0.90   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    CYS   21  15.96 +/- 0.83   0.008% *  0.1055% (0.28   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    CYS   21  14.25 +/- 1.31   0.016% *  0.0484% (0.13   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    CYS   21  16.83 +/- 1.52   0.007% *  0.1055% (0.28   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE  119  21.97 +/- 2.40   0.001% *  0.3340% (0.90   0.02   0.02) =   0.000%
          HB    THR  118 - HN    CYS   21  19.63 +/- 1.58   0.002% *  0.1154% (0.31   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE  119  23.34 +/- 2.07   0.001% *  0.2704% (0.73   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ILE  119  26.54 +/- 2.03   0.000% *  0.1531% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.897, support = 7.94, residual support = 262.1:
          HG12  ILE  119 - HN    ILE  119   2.53 +/- 0.35  99.163% * 97.7573% (0.90   7.94 262.08) =  99.999%  kept
          HB3   PHE   72 - HN    CYS   21   8.38 +/- 1.11   0.175% *  0.0837% (0.30   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    ILE  119   8.14 +/- 2.66   0.289% *  0.0372% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    CYS   21   8.28 +/- 1.14   0.132% *  0.0778% (0.28   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   21  11.96 +/- 2.31   0.127% *  0.0695% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    CYS   21   9.19 +/- 0.76   0.066% *  0.0457% (0.17   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ILE  119  12.61 +/- 1.36   0.009% *  0.2463% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   21  11.73 +/- 1.75   0.023% *  0.0801% (0.29   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ILE  119  13.41 +/- 1.42   0.006% *  0.2650% (0.97   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ILE  119  17.96 +/- 2.13   0.001% *  0.2199% (0.80   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ILE  119  16.95 +/- 1.82   0.002% *  0.1129% (0.41   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   21  16.50 +/- 1.52   0.002% *  0.0860% (0.31   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ILE  119  20.49 +/- 1.16   0.000% *  0.2722% (0.99   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ILE  119  20.72 +/- 1.81   0.000% *  0.2535% (0.92   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    CYS   21  18.33 +/- 1.53   0.001% *  0.0778% (0.28   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   21  17.71 +/- 3.14   0.002% *  0.0296% (0.11   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  18.76 +/- 1.10   0.001% *  0.0357% (0.13   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  25.81 +/- 1.75   0.000% *  0.1445% (0.53   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  26.96 +/- 3.00   0.000% *  0.0937% (0.34   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  19.38 +/- 1.50   0.001% *  0.0117% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 7.54, residual support = 262.1:
      O   HB    ILE  119 - HN    ILE  119   2.30 +/- 0.19  99.199% * 99.0354% (0.92  10.0   7.54 262.08) = 100.000%  kept
          HG3   GLN   30 - HN    CYS   21   6.62 +/- 1.75   0.582% *  0.0336% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    CYS   21   7.65 +/- 0.68   0.094% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  14.52 +/- 3.45   0.029% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ILE  119  11.85 +/- 1.83   0.012% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE  119  10.29 +/- 1.43   0.016% *  0.0441% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  13.88 +/- 2.01   0.005% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21   9.55 +/- 0.90   0.028% *  0.0067% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.35 +/- 0.63   0.014% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  12.12 +/- 1.54   0.012% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  17.00 +/- 1.32   0.001% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  14.11 +/- 1.97   0.004% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  20.37 +/- 2.01   0.000% *  0.0990% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  20.72 +/- 2.05   0.000% *  0.1063% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  17.71 +/- 1.24   0.001% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  18.01 +/- 1.78   0.001% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  21.41 +/- 2.97   0.000% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  18.49 +/- 1.89   0.001% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  19.02 +/- 1.62   0.000% *  0.0219% (0.20   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  20.26 +/- 1.77   0.000% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  20.60 +/- 1.84   0.000% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  20.30 +/- 1.79   0.000% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  24.55 +/- 1.91   0.000% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  27.79 +/- 1.37   0.000% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 0.917, support = 6.99, residual support = 238.8:
          HG13  ILE  119 - HN    ILE  119   3.43 +/- 0.58  43.541% * 85.8678% (0.99   7.38 262.08) =  90.729%  kept
          QB    ALA   20 - HN    CYS   21   3.57 +/- 0.08  32.525% *  8.3768% (0.19   3.72  15.46) =   6.612%  kept
          QG1   VAL  107 - HN    ILE  119   4.55 +/- 1.74  22.807% *  4.8010% (0.20   2.07   0.02) =   2.657%  kept
          HG2   LYS+ 121 - HN    ILE  119   6.84 +/- 0.63   0.777% *  0.0586% (0.25   0.02   2.53) =   0.001%
          HD3   LYS+ 112 - HN    ILE  119   9.91 +/- 1.52   0.106% *  0.1425% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    CYS   21   8.37 +/- 0.50   0.215% *  0.0361% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  13.00 +/- 0.89   0.015% *  0.0741% (0.32   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  17.78 +/- 0.79   0.002% *  0.1425% (0.61   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  17.75 +/- 1.91   0.003% *  0.0736% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  21.83 +/- 2.41   0.001% *  0.2344% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  20.59 +/- 2.19   0.001% *  0.1144% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  15.80 +/- 1.56   0.005% *  0.0147% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  22.31 +/- 2.29   0.001% *  0.0450% (0.19   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  24.06 +/- 2.17   0.000% *  0.0185% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.232, support = 1.61, residual support = 10.7:
          HG3   LYS+  74 - HN    CYS   21   5.10 +/- 1.11  66.186% * 44.2732% (0.23   1.65  13.13) =  73.744%  kept
          HB    VAL   75 - HN    CYS   21   6.74 +/- 1.77  24.112% * 42.6160% (0.24   1.51   3.88) =  25.860%  kept
          QD1   LEU   67 - HN    ILE  119   9.84 +/- 2.82   4.788% *  2.1582% (0.92   0.02   0.02) =   0.260%
          QD2   LEU   40 - HN    ILE  119  10.40 +/- 2.51   1.481% *  2.2116% (0.95   0.02   0.02) =   0.082%
          QG2   ILE  103 - HN    ILE  119  11.68 +/- 1.88   0.555% *  1.9528% (0.84   0.02   0.02) =   0.027%
          QD2   LEU   71 - HN    CYS   21   9.18 +/- 0.98   1.763% *  0.1842% (0.08   0.02   0.02) =   0.008%
          QD1   LEU   67 - HN    CYS   21  12.54 +/- 2.03   0.369% *  0.6820% (0.29   0.02   0.02) =   0.006%
          HB    VAL   75 - HN    ILE  119  17.10 +/- 1.59   0.058% *  1.7867% (0.76   0.02   0.02) =   0.003%
          QD2   LEU   40 - HN    CYS   21  13.73 +/- 0.97   0.147% *  0.6988% (0.30   0.02   0.02) =   0.003%
          QD1   ILE  103 - HN    ILE  119  13.31 +/- 1.80   0.231% *  0.4094% (0.18   0.02   0.02) =   0.002%
          QD2   LEU   71 - HN    ILE  119  14.93 +/- 1.66   0.125% *  0.5830% (0.25   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HN    ILE  119  18.08 +/- 1.37   0.041% *  1.6977% (0.73   0.02   0.02) =   0.002%
          QG2   ILE  103 - HN    CYS   21  15.98 +/- 0.92   0.052% *  0.6171% (0.26   0.02   0.02) =   0.001%
          QD1   ILE  103 - HN    CYS   21  14.54 +/- 1.07   0.092% *  0.1294% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 10 structures by 0.98 A, kept.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.94, residual support = 42.3:
          QG2   THR  118 - HN    ILE  119   3.11 +/- 0.45  99.990% * 99.9091% (0.57   6.94  42.27) = 100.000%  kept
          QG2   THR  118 - HN    CYS   21  15.19 +/- 1.35   0.010% *  0.0909% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1183 (1.46, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 4.08, residual support = 50.8:
          QB    ALA  120 - HN    ILE  119   4.14 +/- 0.11  63.108% * 66.3513% (0.80   4.39  54.94) =  91.083%  kept
          HG    LEU  115 - HN    ILE  119   5.76 +/- 1.17  16.445% * 13.0056% (0.80   0.86   8.44) =   4.652%  kept
          HB3   LEU  115 - HN    ILE  119   5.64 +/- 0.85  12.582% * 12.7281% (0.95   0.71   8.44) =   3.484%  kept
          HG    LEU   73 - HN    CYS   21   6.83 +/- 1.40   6.317% *  5.6421% (0.15   1.94   5.72) =   0.775%  kept
          HG    LEU   67 - HN    ILE  119  12.34 +/- 2.85   0.253% *  0.3742% (0.99   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    ILE  119   9.54 +/- 1.57   0.783% *  0.1165% (0.31   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    ILE  119  12.51 +/- 2.72   0.138% *  0.3571% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    ILE  119  13.56 +/- 2.50   0.075% *  0.2137% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  119  12.57 +/- 2.19   0.134% *  0.0661% (0.18   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  16.58 +/- 1.92   0.019% *  0.1837% (0.49   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  16.11 +/- 2.01   0.025% *  0.1182% (0.31   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  15.34 +/- 1.32   0.027% *  0.1128% (0.30   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  19.94 +/- 3.05   0.007% *  0.2290% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    CYS   21  16.13 +/- 1.26   0.020% *  0.0675% (0.18   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  18.71 +/- 1.42   0.008% *  0.1128% (0.30   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    CYS   21  19.28 +/- 1.72   0.008% *  0.0955% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    CYS   21  15.67 +/- 1.69   0.028% *  0.0209% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.33 +/- 1.25   0.014% *  0.0368% (0.10   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    CYS   21  20.23 +/- 1.55   0.005% *  0.0955% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  21.62 +/- 1.71   0.003% *  0.0723% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.997, support = 2.72, residual support = 3.88:
          QG2   VAL   75 - HN    CYS   21   5.66 +/- 0.95  82.317% * 98.8653% (1.00   2.72   3.88) =  99.939%  kept
          QG2   VAL   42 - HN    ILE  119   8.43 +/- 1.99  14.988% *  0.2174% (0.30   0.02   0.02) =   0.040%
          QG2   VAL   42 - HN    CYS   21  10.77 +/- 1.13   2.328% *  0.6880% (0.95   0.02   0.02) =   0.020%
          QG2   VAL   75 - HN    ILE  119  14.67 +/- 1.47   0.368% *  0.2293% (0.32   0.02   0.02) =   0.001%
    Distance limit 4.38 A violated in 13 structures by 1.28 A, kept.
 
    Peak 1185 (1.15, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.6, residual support = 14.8:
      O   QB    ALA   20 - HN    ALA   20   2.13 +/- 0.08  99.998% * 99.6430% (0.84  10.0   3.60  14.83) = 100.000%  kept
          QG2   VAL  107 - HN    ALA   20  16.71 +/- 1.25   0.001% *  0.1070% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  15.66 +/- 0.74   0.001% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  17.75 +/- 1.33   0.000% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  19.48 +/- 1.11   0.000% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ALA   20  24.58 +/- 1.48   0.000% *  0.1190% (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 1186 (0.69, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 2.02, residual support = 19.7:
          QG2   ILE   19 - HN    ALA   20   2.66 +/- 0.46  99.993% * 99.5548% (0.99   2.02  19.65) = 100.000%  kept
          QD1   LEU   98 - HN    ALA   20  14.56 +/- 1.23   0.007% *  0.4452% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 5.07, residual support = 128.8:
      O   HB    ILE   19 - HN    ILE   19   2.69 +/- 0.30  97.108% * 99.4048% (0.97  10.0   5.07 128.78) =  99.998%  kept
          HB2   GLN   17 - HN    ILE   19   5.91 +/- 0.52   1.492% *  0.0748% (0.73   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    ILE   19   8.08 +/- 1.20   1.369% *  0.0748% (0.73   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    ILE   19  13.74 +/- 1.27   0.007% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE   19  14.47 +/- 0.91   0.006% *  0.0924% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE   19  13.47 +/- 2.04   0.011% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ILE   19  18.83 +/- 1.55   0.001% *  0.1021% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  15.93 +/- 0.78   0.003% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  17.53 +/- 1.00   0.002% *  0.0257% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  22.87 +/- 2.02   0.000% *  0.0666% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.721, support = 5.25, residual support = 125.1:
          HG12  ILE   19 - HN    ILE   19   3.29 +/- 0.81  79.649% * 75.3376% (0.73   5.38 128.78) =  96.972%  kept
          HG    LEU   73 - HN    ILE   19   6.19 +/- 1.14   7.213% * 16.4261% (0.80   1.06   4.00) =   1.915%  kept
          HB3   LYS+  74 - HN    ILE   19   5.24 +/- 0.93  12.033% *  5.6966% (0.18   1.69   8.27) =   1.108%  kept
          QB    ALA   61 - HN    ILE   19   7.62 +/- 0.80   0.721% *  0.3725% (0.97   0.02   0.02) =   0.004%
          HB3   LEU   67 - HN    ILE   19  10.74 +/- 1.65   0.128% *  0.3860% (1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ILE   19  11.11 +/- 2.10   0.125% *  0.0859% (0.22   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE   19  12.79 +/- 1.11   0.027% *  0.3651% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE   19  13.15 +/- 1.09   0.027% *  0.3224% (0.84   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE   19  12.70 +/- 1.10   0.034% *  0.1191% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ILE   19  17.59 +/- 2.98   0.011% *  0.3090% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE   19  13.47 +/- 0.87   0.023% *  0.1191% (0.31   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ILE   19  16.40 +/- 1.18   0.006% *  0.1191% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   19  21.49 +/- 1.51   0.001% *  0.2651% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ILE   19  20.13 +/- 2.31   0.003% *  0.0764% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.961, support = 5.04, residual support = 128.2:
          HG13  ILE   19 - HN    ILE   19   3.06 +/- 0.61  95.123% * 88.3581% (0.97   5.07 128.78) =  99.534%  kept
          HG2   LYS+  74 - HN    ILE   19   6.76 +/- 1.09   3.952% *  9.8955% (0.99   0.55   8.27) =   0.463%
          HG    LEU   71 - HN    ILE   19   8.38 +/- 1.25   0.610% *  0.3543% (0.98   0.02   0.02) =   0.003%
          QG2   THR   39 - HN    ILE   19   9.73 +/- 0.92   0.157% *  0.2483% (0.69   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ILE   19  10.18 +/- 0.79   0.104% *  0.0489% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ILE   19  12.99 +/- 1.64   0.037% *  0.0901% (0.25   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ILE   19  16.60 +/- 1.06   0.007% *  0.2483% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   19  18.11 +/- 1.53   0.004% *  0.3607% (1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    ILE   19  18.12 +/- 1.13   0.003% *  0.1357% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   19  19.32 +/- 1.05   0.002% *  0.1486% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   19  23.40 +/- 2.63   0.001% *  0.1116% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 4.63, residual support = 20.6:
          QG1   VAL   18 - HN    ILE   19   2.70 +/- 0.40  99.046% * 96.2271% (0.34   4.63  20.61) =  99.992%  kept
          QD1   LEU   71 - HN    ILE   19   6.89 +/- 1.57   0.827% *  0.8371% (0.69   0.02   0.02) =   0.007%
          QG1   VAL   70 - HN    ILE   19   9.63 +/- 1.36   0.113% *  0.5464% (0.45   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    ILE   19  15.04 +/- 1.83   0.006% *  0.8371% (0.69   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    ILE   19  15.93 +/- 2.48   0.007% *  0.3761% (0.31   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ILE   19  18.44 +/- 1.19   0.001% *  1.1761% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.719, support = 4.72, residual support = 80.1:
          QD1   ILE   19 - HN    ILE   19   3.22 +/- 0.97  51.269% * 35.5047% (0.57   4.87 128.78) =  55.519%  kept
          QG2   VAL   18 - HN    ILE   19   3.84 +/- 0.55  22.739% * 59.2876% (0.97   4.77  20.61) =  41.118%  kept
          QD2   LEU   73 - HN    ILE   19   3.99 +/- 0.96  25.638% *  4.2974% (0.22   1.50   4.00) =   3.360%  kept
          QG1   VAL   43 - HN    ILE   19   8.76 +/- 0.71   0.183% *  0.2551% (0.99   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ILE   19   9.10 +/- 0.90   0.097% *  0.2308% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    ILE   19  10.45 +/- 1.02   0.052% *  0.2308% (0.90   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    ILE   19  12.55 +/- 0.84   0.019% *  0.0878% (0.34   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ILE   19  16.38 +/- 0.98   0.003% *  0.1058% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.655, support = 4.05, residual support = 18.2:
          HG12  ILE   19 - HN    ALA   20   5.11 +/- 0.51  33.437% * 88.9008% (0.73   4.44  19.65) =  87.012%  kept
          HB3   LYS+  74 - HN    ALA   20   4.45 +/- 0.80  62.920% *  7.0255% (0.18   1.45   8.75) =  12.940%  kept
          HG    LEU   73 - HN    ALA   20   8.72 +/- 0.98   2.060% *  0.4419% (0.80   0.02   0.02) =   0.027%
          QB    ALA   61 - HN    ALA   20   9.35 +/- 0.96   0.980% *  0.5326% (0.97   0.02   0.02) =   0.015%
          HG    LEU   80 - HN    ALA   20  12.16 +/- 1.73   0.175% *  0.4610% (0.84   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ALA   20  14.91 +/- 1.71   0.086% *  0.5519% (1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ALA   20  12.46 +/- 1.43   0.139% *  0.1703% (0.31   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ALA   20  16.04 +/- 1.03   0.039% *  0.5221% (0.95   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ALA   20  19.16 +/- 3.35   0.032% *  0.4419% (0.80   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   20  15.16 +/- 2.28   0.080% *  0.1229% (0.22   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   20  16.57 +/- 0.97   0.033% *  0.1703% (0.31   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   20  19.20 +/- 0.92   0.011% *  0.1703% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   20  24.30 +/- 1.43   0.003% *  0.3791% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   20  23.84 +/- 1.98   0.004% *  0.1092% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.237, support = 3.85, residual support = 11.9:
          HB3   LYS+  74 - HN    CYS   21   3.16 +/- 1.10  81.390% * 17.5130% (0.18   4.12  13.13) =  88.178%  kept
          HG12  ILE   19 - HN    CYS   21   6.97 +/- 0.57   2.546% * 37.5232% (0.73   2.13   0.13) =   5.909%  kept
          HG    LEU   73 - HN    CYS   21   6.83 +/- 1.40   2.085% * 37.8165% (0.80   1.94   5.72) =   4.878%  kept
          HB3   LEU  115 - HN    ILE  119   5.64 +/- 0.85   6.251% *  1.6895% (0.10   0.71   8.44) =   0.653%  kept
          HD3   LYS+ 121 - HN    ILE  119   6.53 +/- 1.01   5.186% *  1.0656% (0.06   0.70   2.53) =   0.342%
          HG    LEU   80 - HN    CYS   21   8.61 +/- 1.25   0.986% *  0.4059% (0.84   0.02   0.02) =   0.025%
          HB2   LEU   80 - HN    CYS   21   8.99 +/- 0.98   0.641% *  0.1500% (0.31   0.02   0.02) =   0.006%
          QB    ALA   61 - HN    CYS   21  10.77 +/- 1.03   0.121% *  0.4690% (0.97   0.02   0.02) =   0.004%
          QG    LYS+  66 - HN    ILE  119   9.54 +/- 1.57   0.213% *  0.1453% (0.30   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    ILE  119  10.76 +/- 0.50   0.102% *  0.1482% (0.30   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ILE  119  10.59 +/- 1.07   0.116% *  0.1230% (0.25   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ILE  119  12.57 +/- 2.19   0.070% *  0.1536% (0.32   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    CYS   21  15.67 +/- 1.69   0.010% *  0.4860% (1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ILE  119  12.34 +/- 2.85   0.137% *  0.0342% (0.07   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE  119  12.51 +/- 2.72   0.081% *  0.0474% (0.10   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.33 +/- 1.25   0.005% *  0.4597% (0.95   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    CYS   21  18.34 +/- 2.77   0.004% *  0.3892% (0.80   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  16.58 +/- 1.92   0.012% *  0.1230% (0.25   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  15.34 +/- 1.32   0.010% *  0.1500% (0.31   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  16.11 +/- 2.01   0.009% *  0.1082% (0.22   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  18.71 +/- 1.42   0.004% *  0.1500% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  21.62 +/- 1.71   0.002% *  0.3338% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  19.94 +/- 3.05   0.005% *  0.1055% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  119  19.15 +/- 2.22   0.002% *  0.1115% (0.23   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  119  22.46 +/- 1.70   0.002% *  0.1283% (0.26   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  119  18.40 +/- 1.18   0.006% *  0.0269% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    CYS   21  23.22 +/- 2.46   0.001% *  0.0962% (0.20   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  119  22.26 +/- 1.50   0.002% *  0.0474% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.17, residual support = 84.3:
      O   QG    GLN   17 - HE21  GLN   17   2.24 +/- 0.26  99.996% * 99.5957% (0.48  10.0   3.17  84.28) = 100.000%  kept
          HB    VAL   70 - HE21  GLN   17  13.53 +/- 1.25   0.003% *  0.0879% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HE21  GLN   17  19.17 +/- 2.30   0.000% *  0.1161% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HE21  GLN   17  22.20 +/- 1.94   0.000% *  0.1053% (0.51   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HE21  GLN   17  19.28 +/- 2.64   0.000% *  0.0403% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  19.58 +/- 1.55   0.000% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  28.03 +/- 2.52   0.000% *  0.0224% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 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   4.40 +/- 0.03  99.106% * 99.9055% (0.73 10.00   5.47  50.10) =  99.999%  kept
          HN    SER   13 - HN    GLN   17  10.02 +/- 0.93   0.894% *  0.0945% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 4.21 A violated in 0 structures by 0.19 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   4.40 +/- 0.03  99.895% * 99.7850% (0.89 10.00   5.47  50.10) = 100.000%  kept
          HD21  ASN   69 - HN    VAL   18  14.46 +/- 1.33   0.097% *  0.1079% (0.96  1.00   0.02   0.02) =   0.000%
          HN    TRP   87 - HN    VAL   18  21.72 +/- 1.09   0.007% *  0.1071% (0.96  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1197 (8.46, 8.93, 131.32 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.25, residual support = 8.27:
        T HN    LYS+  74 - HN    ILE   19   4.48 +/- 0.81  99.412% * 99.4791% (0.41 10.00   3.25   8.27) =  99.999%  kept
          HN    THR   46 - HN    ILE   19  11.85 +/- 0.95   0.449% *  0.2021% (0.84  1.00   0.02   0.02) =   0.001%
          HN    MET   92 - HN    ILE   19  18.82 +/- 1.95   0.032% *  0.2335% (0.97  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE   19  18.06 +/- 2.94   0.094% *  0.0373% (0.15  1.00   0.02   0.02) =   0.000%
          HN    ASP- 113 - HN    ILE   19  22.21 +/- 1.27   0.012% *  0.0479% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 3 structures by 0.34 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.812, support = 2.79, residual support = 3.27:
          HN    THR   26 - HN    VAL   24   4.61 +/- 0.11  62.014% * 86.7424% (0.87   2.88   2.64) =  91.664%  kept
          HN    LEU   80 - HN    VAL   24   5.06 +/- 0.54  37.916% * 12.9027% (0.20   1.88  10.18) =   8.336%  kept
          HN    ALA   34 - HN    VAL   24  14.75 +/- 0.30   0.057% *  0.0941% (0.14   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    VAL   24  19.03 +/- 1.69   0.013% *  0.2608% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 0.975, support = 3.63, residual support = 17.4:
          HN    THR   23 - HN    VAL   24   4.54 +/- 0.11  66.043% * 93.9177% (0.98   3.71  17.23) =  97.671%  kept
          HE3   TRP   27 - HN    VAL   24   6.12 +/- 2.06  32.893% *  4.4915% (0.76   0.23  25.02) =   2.326%  kept
          HD2   HIS   22 - HN    VAL   24   9.19 +/- 0.28   0.993% *  0.1151% (0.22   0.02   0.02) =   0.002%
          QE    PHE   95 - HN    VAL   24  15.87 +/- 1.53   0.035% *  0.5124% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    VAL   24  17.55 +/- 2.11   0.027% *  0.1764% (0.34   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    VAL   24  22.09 +/- 1.93   0.005% *  0.4318% (0.84   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    VAL   24  22.31 +/- 1.33   0.004% *  0.3551% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1200 (10.58, 10.20, 129.00 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.75, residual support = 6.12:
          HE1   TRP   87 - HE1   TRP   27   5.88 +/- 2.15 100.000% *100.0000% (0.53   0.75   6.12) = 100.000%  kept
    Distance limit 4.00 A violated in 11 structures by 2.09 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   2.71 +/- 0.02  97.118% * 98.9220% (0.98 10.00   4.04  18.77) =  99.998%  kept
          HN    GLN   32 - HN    ASN   35   4.88 +/- 0.16   2.881% *  0.0531% (0.53  1.00   0.02   6.50) =   0.002%
        T HN    LEU   80 - HN    ASN   35  20.13 +/- 0.63   0.001% *  0.9316% (0.92 10.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  21.77 +/- 1.35   0.000% *  0.0200% (0.20  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    ASN   35  28.09 +/- 1.08   0.000% *  0.0733% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 18.9:
        T HN    SER   37 - HN    GLU-  36   2.42 +/- 0.07  99.999% * 99.7690% (0.98 10.00   3.97  18.93) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  16.37 +/- 0.64   0.001% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  24.10 +/- 1.35   0.000% *  0.1009% (0.99  1.00   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  24.34 +/- 2.35   0.000% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 5.27, residual support = 27.8:
        T HN    LYS+  38 - HN    THR   39   2.63 +/- 0.09  99.961% * 99.8693% (1.00 10.00   5.27  27.76) = 100.000%  kept
          HN    LEU   31 - HN    THR   39   9.78 +/- 0.28   0.038% *  0.0278% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    THR   39  19.97 +/- 0.95   0.001% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  28.17 +/- 0.93   0.000% *  0.0688% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 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   3.11 +/- 0.56  99.578% * 99.8546% (0.76   4.00  16.41) =  99.999%  kept
          HN    PHE   72 - HN    VAL   43   8.24 +/- 0.28   0.422% *  0.1454% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.74 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 = 4.24, residual support = 6.98:
          HN    LEU   73 - HN    ASP-  44   3.91 +/- 0.44  95.274% * 70.7272% (0.38   4.29   7.11) =  98.086%  kept
          HN    VAL   42 - HN    ASP-  44   6.68 +/- 0.29   4.627% * 28.3957% (0.38   1.72   0.02) =   1.912%  kept
          HN    LYS+ 106 - HN    ASP-  44  12.58 +/- 0.87   0.100% *  0.8771% (1.00   0.02   0.02) =   0.001%
    Distance limit 4.19 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.71, residual support = 33.9:
          HN    VAL   42 - HN    VAL   43   4.26 +/- 0.13  72.397% * 67.8820% (0.38   6.20  38.27) =  85.293%  kept
          HN    LEU   73 - HN    VAL   43   5.10 +/- 0.42  26.856% * 31.5358% (0.38   2.88   8.35) =  14.699%  kept
          HN    LYS+ 106 - HN    VAL   43   9.46 +/- 0.78   0.746% *  0.5822% (1.00   0.02   0.02) =   0.008%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.827, support = 0.02, residual support = 0.02:
          HN    LEU   63 - HN    ASP-  44  10.91 +/- 0.99  45.738% * 15.3753% (0.65   0.02   0.02) =  37.187%  kept
          HN    ALA   84 - HN    ASP-  44  11.75 +/- 0.51  29.556% * 23.7147% (1.00   0.02   0.02) =  37.064%  kept
          HN    ILE   56 - HN    ASP-  44  12.92 +/- 0.83  16.412% * 18.1638% (0.76   0.02   0.02) =  15.764%  kept
          HN    LYS+ 111 - HN    ASP-  44  15.78 +/- 2.33   6.612% * 23.7147% (1.00   0.02   0.02) =   8.291%  kept
          HE21  GLN   32 - HN    ASP-  44  18.94 +/- 1.03   1.683% * 19.0315% (0.80   0.02   0.02) =   1.694%  kept
    Distance limit 4.18 A violated in 20 structures by 5.29 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.452, support = 0.706, residual support = 1.99:
          QD    PHE   60 - HN    ASP-  44   5.66 +/- 0.79  86.694% * 46.1304% (0.41   0.75   2.17) =  91.652%  kept
          QE    PHE   59 - HN    ASP-  44   9.21 +/- 2.71  10.806% * 31.4412% (0.92   0.23   0.02) =   7.786%  kept
          HN    PHE   59 - HN    ASP-  44  11.99 +/- 0.92   1.155% * 19.2831% (0.57   0.23   0.02) =   0.510%  kept
          HN    LYS+  66 - HN    ASP-  44  13.39 +/- 0.91   0.725% *  2.6835% (0.90   0.02   0.02) =   0.045%
          HN    LYS+  81 - HN    ASP-  44  13.38 +/- 0.56   0.620% *  0.4617% (0.15   0.02   0.02) =   0.007%
    Distance limit 4.47 A violated in 12 structures by 1.07 A, kept.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.645, support = 0.02, residual support = 0.02:
          HN    GLN   17 - HN    ASP-  62  10.16 +/- 0.94  89.289% * 29.1578% (0.63   0.02   0.02) =  87.126%  kept
          HD21  ASN   69 - HN    ASP-  62  15.36 +/- 1.44   9.868% * 36.0114% (0.77   0.02   0.02) =  11.892%  kept
          HN    TRP   87 - HN    ASP-  62  22.59 +/- 0.67   0.842% * 34.8308% (0.75   0.02   0.02) =   0.982%  kept
    Distance limit 3.38 A violated in 20 structures by 6.58 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   2.61 +/- 0.07  99.945% * 98.0197% (0.32 10.00   5.85  42.43) =  99.999%  kept
        T HN    ILE   56 - HN    ASP-  62   9.49 +/- 0.46   0.046% *  1.2712% (0.42 10.00   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HN    ASP-  62  14.78 +/- 3.00   0.008% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ASP-  62  22.23 +/- 0.84   0.000% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ASP-  62  27.10 +/- 1.56   0.000% *  0.2560% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 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   8.03 +/- 0.43  98.760% * 48.0011% (0.92   0.02   0.02) =  98.658%  kept
          HN    ALA  110 - HN    LEU   73  17.44 +/- 2.57   1.240% * 51.9989% (1.00   0.02   0.02) =   1.342%  kept
    Distance limit 3.95 A violated in 20 structures by 4.07 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.389, support = 3.95, residual support = 21.3:
          HN    VAL   75 - HN    ASP-  76   4.23 +/- 0.09  76.036% * 48.6865% (0.28   4.64  27.37) =  75.274%  kept
          HN    ASP-  78 - HN    ASP-  76   5.15 +/- 0.26  23.954% * 50.7653% (0.73   1.85   2.85) =  24.726%  kept
          HN    LYS+ 112 - HN    ASP-  76  21.15 +/- 1.92   0.006% *  0.3383% (0.45   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ASP-  76  25.76 +/- 4.13   0.004% *  0.2098% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 5.35, residual support = 28.1:
        T HN    LYS+ 111 - HN    LYS+ 112   4.37 +/- 0.11  96.892% * 99.6886% (0.87 10.00   5.35  28.12) =  99.998%  kept
          HN    ILE   56 - HN    LYS+ 112   8.35 +/- 1.31   2.969% *  0.0559% (0.49  1.00   0.02   7.36) =   0.002%
          HN    LEU   63 - HN    LYS+ 112  13.81 +/- 1.94   0.132% *  0.0431% (0.38  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    LYS+ 112  22.79 +/- 2.52   0.007% *  0.0997% (0.87  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    LYS+ 112  34.78 +/- 1.64   0.000% *  0.1126% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1215 (7.30, 8.17, 116.99 ppm):
    5 chemical-shift based assignments, quality = 0.429, support = 0.0199, residual support = 0.0199:
          QD    PHE   55 - HN    GLN  116   8.26 +/- 1.86  70.576% * 11.5373% (0.28   0.02   0.02) =  54.463%  kept
          QD    PHE   60 - HN    GLN  116  10.44 +/- 1.18  23.358% * 26.8436% (0.65   0.02   0.02) =  41.938%  kept
          HN    LYS+  66 - HN    GLN  116  13.65 +/- 1.32   5.716% *  8.2119% (0.20   0.02   0.02) =   3.139%  kept
          HE3   TRP   27 - HN    GLN  116  21.51 +/- 1.00   0.275% * 14.1544% (0.34   0.02   0.02) =   0.261%
          HN    LYS+  81 - HN    GLN  116  26.13 +/- 1.63   0.076% * 39.2529% (0.95   0.02   0.02) =   0.199%
    Distance limit 4.26 A violated in 18 structures by 3.34 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.796, support = 5.94, residual support = 52.9:
      O   HA    ILE  119 - HN    ALA  120   3.62 +/- 0.02  80.672% * 85.5197% (0.80  10.0   6.01  54.94) =  96.199%  kept
          HA    THR  118 - HN    ALA  120   4.63 +/- 0.24  19.139% * 14.2410% (0.67   1.0   3.98   0.15) =   3.801%  kept
          HA2   GLY  109 - HN    ALA  120  14.47 +/- 2.51   0.122% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA  120  12.26 +/- 1.07   0.063% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  120  21.19 +/- 1.41   0.002% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  23.28 +/- 1.46   0.001% *  0.0598% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  120  25.41 +/- 1.75   0.001% *  0.0789% (0.74   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 6.4:
          HA    SER  117 - HN    ALA  120   3.56 +/- 0.23  99.849% * 95.2241% (0.92   0.75   6.40) =  99.998%  kept
          HA    ASP-  62 - HN    ALA  120  11.54 +/- 1.13   0.110% *  1.3390% (0.49   0.02   0.02) =   0.002%
          HA    ALA   57 - HN    ALA  120  13.54 +/- 0.99   0.038% *  1.0463% (0.38   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA  120  25.85 +/- 1.75   0.001% *  1.9449% (0.71   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA  120  21.72 +/- 1.59   0.002% *  0.4457% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 4.04, residual support = 122.8:
      O   HG3   GLN  116 - HE21  GLN  116   3.35 +/- 0.30  99.993% * 99.8198% (0.69  10.0   4.04 122.77) = 100.000%  kept
          HG3   MET   96 - HE21  GLN  116  17.86 +/- 1.52   0.006% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   87 - HE21  GLN  116  22.17 +/- 1.39   0.001% *  0.0881% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  29.45 +/- 3.08   0.000% *  0.0597% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 0.521, support = 2.9, residual support = 62.8:
          HG    LEU  115 - HE21  GLN  116   6.53 +/- 1.67  19.470% * 26.3819% (0.41   3.96  99.38) =  42.469%  kept
          QB    ALA  120 - HE21  GLN  116   4.28 +/- 1.38  74.205% *  6.0087% (0.41   0.90   0.38) =  36.865%  kept
          HB3   LEU  115 - HE21  GLN  116   7.60 +/- 0.97   3.795% * 65.7505% (0.95   4.29  99.38) =  20.629%  kept
          QG    LYS+  66 - HE21  GLN  116   9.86 +/- 2.43   1.333% *  0.2226% (0.69   0.02   0.02) =   0.025%
          QB    ALA   61 - HE21  GLN  116  11.20 +/- 1.58   0.516% *  0.1105% (0.34   0.02   0.02) =   0.005%
          HG    LEU   67 - HE21  GLN  116  14.14 +/- 3.67   0.140% *  0.2811% (0.87   0.02   0.02) =   0.003%
          QB    ALA  110 - HE21  GLN  116  11.52 +/- 1.51   0.407% *  0.0567% (0.18   0.02   0.02) =   0.002%
          HB3   LEU   67 - HE21  GLN  116  14.78 +/- 3.29   0.074% *  0.1577% (0.49   0.02   0.02) =   0.001%
          HG    LEU   40 - HE21  GLN  116  16.66 +/- 3.12   0.027% *  0.3065% (0.95   0.02   0.02) =   0.001%
          HG    LEU   73 - HE21  GLN  116  20.05 +/- 2.20   0.009% *  0.2811% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE21  GLN  116  17.46 +/- 2.96   0.020% *  0.0721% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE21  GLN  116  24.61 +/- 2.82   0.002% *  0.3065% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HE21  GLN  116  25.75 +/- 1.86   0.002% *  0.0641% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.357, support = 1.07, residual support = 0.647:
          HB    ILE  119 - HN    SER  117   5.00 +/- 0.44  40.719% * 52.5378% (0.20   1.61   1.06) =  60.332%  kept
          QB    GLU- 114 - HN    SER  117   4.75 +/- 0.28  54.153% * 25.6727% (0.61   0.26   0.02) =  39.208%  kept
          HB2   LYS+ 111 - HN    SER  117   7.50 +/- 0.93   4.716% *  3.2833% (1.00   0.02   0.02) =   0.437%
          HB3   PRO   68 - HN    SER  117  17.69 +/- 3.84   0.143% *  2.7485% (0.84   0.02   0.02) =   0.011%
          HG2   PRO   68 - HN    SER  117  16.74 +/- 4.08   0.231% *  1.4753% (0.45   0.02   0.02) =   0.010%
          HB2   GLN   17 - HN    SER  117  20.65 +/- 1.27   0.009% *  3.2833% (1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    SER  117  20.93 +/- 1.78   0.009% *  3.2833% (1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    SER  117  22.10 +/- 1.54   0.006% *  1.7313% (0.53   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    SER  117  23.67 +/- 1.74   0.004% *  1.4753% (0.45   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    SER  117  23.86 +/- 2.18   0.004% *  0.8205% (0.25   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    SER  117  23.34 +/- 1.70   0.005% *  0.6512% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    SER  117  30.22 +/- 0.97   0.001% *  3.0376% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1221 (1.46, 8.66, 115.11 ppm):
    10 chemical-shift based assignments, quality = 0.861, support = 2.24, residual support = 3.66:
          QB    ALA  120 - HN    SER  117   4.64 +/- 0.43  60.860% * 18.3098% (0.84   1.37   6.40) =  41.893%  kept
          HB3   LEU  115 - HN    SER  117   5.76 +/- 0.30  18.145% * 43.1779% (0.92   2.93   1.68) =  29.454%  kept
          HG    LEU  115 - HN    SER  117   5.76 +/- 0.73  20.459% * 37.2494% (0.84   2.79   1.68) =  28.650%  kept
          HG    LEU   67 - HN    SER  117  15.48 +/- 2.89   0.104% *  0.3129% (0.98   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    SER  117  11.92 +/- 1.34   0.246% *  0.0887% (0.28   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    SER  117  15.45 +/- 2.21   0.063% *  0.2947% (0.92   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    SER  117  16.55 +/- 2.32   0.043% *  0.1936% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    SER  117  15.85 +/- 2.11   0.060% *  0.0492% (0.15   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    SER  117  19.50 +/- 1.47   0.013% *  0.1431% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    SER  117  21.60 +/- 2.23   0.007% *  0.1807% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1222 (2.99, 9.38, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.993, support = 3.04, residual support = 17.1:
          HB2   PHE   97 - HN    LEU  104   3.39 +/- 0.62  89.507% * 82.4166% (1.00   3.08  17.44) =  98.070%  kept
          QE    LYS+ 106 - HN    LEU  104   6.04 +/- 1.29   8.802% * 16.4530% (0.76   0.80   0.02) =   1.925%  kept
          QE    LYS+  99 - HN    LEU  104   7.28 +/- 0.97   1.626% *  0.2013% (0.38   0.02  16.68) =   0.004%
          HB3   TRP   27 - HN    LEU  104  15.25 +/- 1.09   0.018% *  0.5316% (0.99   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    LEU  104  15.03 +/- 1.76   0.020% *  0.3036% (0.57   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU  104  14.20 +/- 0.89   0.027% *  0.0939% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.58 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 = 0.942, support = 5.48, residual support = 34.3:
          HG12  ILE  103 - HN    LEU  104   4.46 +/- 0.23  73.925% * 83.3257% (0.97   5.65  36.05) =  95.252%  kept
          QB    LYS+ 102 - HN    LEU  104   5.68 +/- 0.54  20.122% * 15.1707% (0.49   2.04   0.02) =   4.721%  kept
          HB    VAL   41 - HN    LEU  104   7.18 +/- 0.94   5.515% *  0.3058% (1.00   0.02   0.02) =   0.026%
          HB2   LEU   71 - HN    LEU  104  11.38 +/- 0.95   0.292% *  0.1043% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LEU  104  15.42 +/- 1.68   0.054% *  0.2893% (0.95   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU  104  16.78 +/- 3.69   0.049% *  0.2337% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU  104  17.83 +/- 1.01   0.019% *  0.2221% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU  104  18.17 +/- 1.13   0.017% *  0.1148% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  104  21.45 +/- 1.10   0.006% *  0.2337% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.41, 8.62, 122.05 ppm):
    11 chemical-shift based assignments, quality = 0.606, support = 1.39, residual support = 24.2:
          QB    LEU   98 - HN    ILE  103   4.27 +/- 1.08  99.316% * 86.1700% (0.61   1.39  24.20) =  99.987%  kept
          HD3   LYS+ 121 - HN    ILE  103  15.52 +/- 4.22   0.334% *  1.8390% (0.90   0.02   0.02) =   0.007%
          QB    ALA  110 - HN    ILE  103  17.13 +/- 1.70   0.094% *  1.6419% (0.80   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    ILE  103  16.67 +/- 1.88   0.072% *  1.5671% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ILE  103  17.08 +/- 1.80   0.045% *  2.0099% (0.98   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    ILE  103  19.19 +/- 1.07   0.023% *  1.7787% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  103  18.43 +/- 2.50   0.042% *  0.8430% (0.41   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  103  20.69 +/- 2.18   0.020% *  1.7787% (0.87   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ILE  103  18.98 +/- 0.83   0.024% *  1.1609% (0.57   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE  103  20.19 +/- 2.22   0.025% *  0.5113% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ILE  103  24.20 +/- 2.67   0.006% *  0.6995% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 5 structures by 0.44 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.763, support = 5.2, residual support = 32.0:
          QD2   LEU  104 - HN    ILE  103   4.68 +/- 0.88  30.898% * 79.8155% (1.00   5.61  36.05) =  65.679%  kept
          QD1   LEU   98 - HN    ILE  103   3.76 +/- 0.95  66.415% * 19.4002% (0.31   4.42  24.20) =  34.315%  kept
          QG1   VAL   43 - HN    ILE  103   7.94 +/- 1.29   1.245% *  0.0970% (0.34   0.02   0.02) =   0.003%
          QG1   VAL   41 - HN    ILE  103   7.36 +/- 0.83   1.415% *  0.0563% (0.20   0.02   0.02) =   0.002%
          QD1   ILE   19 - HN    ILE  103  17.92 +/- 1.21   0.008% *  0.2745% (0.97   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    ILE  103  16.70 +/- 1.19   0.011% *  0.1954% (0.69   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    ILE  103  17.11 +/- 1.10   0.009% *  0.1610% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 6.87, residual support = 217.8:
          QD1   LEU  104 - HN    LEU  104   4.17 +/- 0.44  91.738% * 97.1188% (0.41   6.87 217.85) =  99.978%  kept
          QG2   VAL   41 - HN    LEU  104   7.26 +/- 1.21   6.341% *  0.1361% (0.20   0.02   0.02) =   0.010%
          QD1   LEU   63 - HN    LEU  104  10.87 +/- 1.70   0.538% *  0.6639% (0.97   0.02   0.02) =   0.004%
          QD1   LEU   73 - HN    LEU  104  10.44 +/- 1.04   0.482% *  0.6639% (0.97   0.02   0.02) =   0.004%
          QD2   LEU   63 - HN    LEU  104  10.95 +/- 1.97   0.562% *  0.4996% (0.73   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    LEU  104  12.29 +/- 2.12   0.263% *  0.4726% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU  104  14.10 +/- 1.09   0.076% *  0.4451% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 0.525, support = 4.84, residual support = 23.4:
          QD2   LEU  104 - HN    ASP- 105   4.41 +/- 0.20  75.263% * 28.2452% (0.18   6.37  38.80) =  54.623%  kept
          QD1   LEU   98 - HN    ASP- 105   5.57 +/- 0.88  24.710% * 71.4682% (0.95   2.99   4.90) =  45.377%  kept
          QG2   ILE   19 - HN    ASP- 105  16.70 +/- 0.89   0.027% *  0.2866% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 135.6:
          HG3   LYS+ 106 - HN    LYS+ 106   2.96 +/- 0.35  98.457% * 95.5354% (0.90   4.02 135.59) =  99.998%  kept
          HD3   LYS+ 121 - HN    LYS+ 106   8.85 +/- 3.99   1.141% *  0.0928% (0.18   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LYS+ 106   9.45 +/- 0.60   0.125% *  0.2178% (0.41   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 106  11.61 +/- 1.02   0.050% *  0.5286% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+ 106   9.21 +/- 0.81   0.151% *  0.1179% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 106  12.81 +/- 1.13   0.022% *  0.5251% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+ 106  14.62 +/- 1.03   0.009% *  0.5113% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 106  15.77 +/- 1.43   0.007% *  0.5286% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+ 106  13.07 +/- 0.87   0.017% *  0.1807% (0.34   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+ 106  15.15 +/- 1.06   0.008% *  0.1635% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 106  20.25 +/- 2.11   0.002% *  0.5286% (1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+ 106  15.63 +/- 2.55   0.008% *  0.0817% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 106  21.36 +/- 1.04   0.001% *  0.5193% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 106  18.66 +/- 0.94   0.002% *  0.1048% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 106  25.25 +/- 2.54   0.000% *  0.3639% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 25.6:
          QG1   VAL  107 - HN    LYS+ 106   4.68 +/- 0.61  98.437% * 97.0500% (0.53   2.85  25.65) =  99.988%  kept
          HG    LEU   63 - HN    LYS+ 106  12.57 +/- 2.31   0.976% *  0.9399% (0.73   0.02   0.02) =   0.010%
          HG3   LYS+ 112 - HN    LYS+ 106  14.71 +/- 1.43   0.278% *  0.3995% (0.31   0.02   0.02) =   0.001%
          QG2   VAL   24 - HN    LYS+ 106  17.00 +/- 1.30   0.064% *  1.1227% (0.87   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    LYS+ 106  15.37 +/- 1.59   0.182% *  0.1997% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    LYS+ 106  17.20 +/- 1.68   0.063% *  0.2882% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 2 structures by 0.23 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   3.60 +/- 0.07  96.685% * 99.4338% (0.98   4.52  62.13) =  99.992%  kept
          HB3   LEU   63 - HN    VAL  108  13.81 +/- 2.80   3.171% *  0.2360% (0.53   0.02   0.02) =   0.008%
          QD1   LEU   40 - HN    VAL  108  12.31 +/- 1.03   0.066% *  0.2183% (0.49   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    VAL  108  15.93 +/- 3.27   0.077% *  0.1118% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 2.85, residual support = 7.76:
          QG2   ILE   89 - HN    ALA   91   2.91 +/- 0.75  95.401% * 97.2975% (1.00   2.85   7.77) =  99.897%  kept
          QG1   VAL   83 - HN    TRP   27   6.19 +/- 1.04   4.447% *  2.1411% (0.07   0.97   3.52) =   0.102%
          QG1   VAL   83 - HN    ALA   91  10.26 +/- 0.51   0.093% *  0.3589% (0.53   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    TRP   27  11.77 +/- 1.21   0.051% *  0.0843% (0.12   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  18.84 +/- 1.38   0.002% *  0.1052% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  16.56 +/- 1.06   0.007% *  0.0130% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.446, support = 5.29, residual support = 39.8:
          HG3   LYS+  99 - HN    GLU- 100   3.97 +/- 0.48  60.230% * 94.9672% (0.45   5.32  39.92) =  99.577%  kept
          QB    ALA   34 - HN    GLU- 100   4.72 +/- 1.18  31.929% *  0.5787% (0.73   0.02   0.02) =   0.322%
          HG3   LYS+  38 - HN    GLU- 100   7.08 +/- 1.33   4.396% *  0.7899% (0.99   0.02   0.02) =   0.060%
          QG2   THR   39 - HN    GLU- 100   6.93 +/- 1.19   2.895% *  0.7539% (0.95   0.02   0.02) =   0.038%
          HG    LEU   71 - HN    GLU- 100   9.22 +/- 1.29   0.514% *  0.2991% (0.38   0.02   0.02) =   0.003%
          HG13  ILE   19 - HN    GLU- 100  16.87 +/- 2.32   0.014% *  0.5156% (0.65   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU- 100  19.07 +/- 1.38   0.006% *  0.7148% (0.90   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    GLU- 100  20.34 +/- 2.10   0.004% *  0.7539% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    GLU- 100  17.74 +/- 1.19   0.007% *  0.2991% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    GLU- 100  18.87 +/- 1.31   0.006% *  0.3277% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.16 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   4.42 +/- 0.13  99.623% * 76.1173% (0.57   0.99   5.56) =  99.992%  kept
          HB3   LEU   73 - HN    LYS+  81  13.87 +/- 0.44   0.109% *  2.5148% (0.92   0.02   0.02) =   0.004%
          HB3   PRO   93 - HN    LYS+  81  15.75 +/- 1.43   0.060% *  1.6523% (0.61   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    LYS+  81  14.83 +/- 1.01   0.078% *  0.6065% (0.22   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  81  19.25 +/- 0.65   0.015% *  2.3631% (0.87   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  81  17.79 +/- 1.75   0.027% *  1.2214% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  81  20.40 +/- 1.62   0.012% *  2.7242% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  81  21.01 +/- 1.93   0.010% *  2.1814% (0.80   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  81  16.77 +/- 1.33   0.037% *  0.5391% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  81  22.79 +/- 2.29   0.006% *  2.5770% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  81  26.01 +/- 2.73   0.003% *  2.6703% (0.98   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  81  23.07 +/- 2.97   0.007% *  1.1200% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  81  26.09 +/- 1.82   0.003% *  2.3631% (0.87   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  81  22.73 +/- 1.38   0.006% *  0.4203% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  81  29.19 +/- 2.15   0.001% *  0.9293% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.91, residual support = 216.1:
          QD1   ILE   89 - HN    ILE   89   2.71 +/- 0.60  97.109% * 99.3867% (0.92   5.91 216.15) =  99.989%  kept
          QG2   VAL   83 - HN    ILE   89   5.35 +/- 0.45   2.871% *  0.3632% (1.00   0.02   0.02) =   0.011%
          QD2   LEU   31 - HN    ILE   89  12.84 +/- 1.14   0.020% *  0.2501% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.361, support = 4.03, residual support = 8.7:
          QB    ALA   88 - HN    ILE   89   3.38 +/- 0.24  71.516% * 59.0318% (0.34   4.50   8.25) =  81.153%  kept
          QB    ALA   84 - HN    ILE   89   4.17 +/- 0.54  28.073% * 34.9144% (0.45   2.02  10.64) =  18.842%  kept
          HB3   LEU   80 - HN    ILE   89   8.96 +/- 1.21   0.313% *  0.7541% (0.98   0.02   0.02) =   0.005%
          HG    LEU   98 - HN    ILE   89  13.08 +/- 1.99   0.032% *  0.4356% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ILE   89  13.20 +/- 0.83   0.021% *  0.6426% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ILE   89  12.30 +/- 0.67   0.031% *  0.3163% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ILE   89  18.33 +/- 2.88   0.005% *  0.7541% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ILE   89  17.22 +/- 1.45   0.004% *  0.7677% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ILE   89  20.02 +/- 1.32   0.002% *  0.7102% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ILE   89  21.29 +/- 1.90   0.001% *  0.6161% (0.80   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ILE   89  25.28 +/- 2.07   0.000% *  0.5285% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ILE   89  25.59 +/- 1.56   0.000% *  0.5285% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.596, support = 4.25, residual support = 35.7:
          QB    ALA   91 - HN    GLN   90   4.58 +/- 0.55  45.817% * 61.1557% (0.84   3.04  31.90) =  59.103%  kept
          HG12  ILE   89 - HN    GLN   90   4.51 +/- 0.53  53.891% * 35.9752% (0.25   6.00  41.20) =  40.895%  kept
          HG2   LYS+  74 - HN    GLN   90  14.06 +/- 2.23   0.094% *  0.4442% (0.92   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    GLN   90  12.96 +/- 1.64   0.136% *  0.1806% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    GLN   90  17.73 +/- 3.07   0.036% *  0.0952% (0.20   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    GLN   90  21.08 +/- 1.15   0.005% *  0.4019% (0.84   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    GLN   90  21.94 +/- 1.73   0.004% *  0.4811% (1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    GLN   90  22.10 +/- 1.76   0.004% *  0.4315% (0.90   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    GLN   90  18.32 +/- 1.27   0.011% *  0.1071% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    GLN   90  24.24 +/- 1.73   0.002% *  0.4551% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    GLN   90  28.85 +/- 2.30   0.001% *  0.2724% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1237 (2.24, 7.39, 112.01 ppm):
    11 chemical-shift based assignments, quality = 0.341, support = 3.04, residual support = 95.6:
      O   QG    GLN   90 - HE21  GLN   90   2.18 +/- 0.10  99.983% * 98.4545% (0.34  10.0   3.04  95.62) = 100.000%  kept
          HG3   MET   92 - HE21  GLN   90  11.37 +/- 2.30   0.013% *  0.2886% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HE21  GLN   90  13.22 +/- 2.09   0.003% *  0.1634% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HE21  GLN   90  21.81 +/- 1.49   0.000% *  0.2311% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HE21  GLN   90  23.30 +/- 2.52   0.000% *  0.2829% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HE21  GLN   90  17.67 +/- 1.09   0.000% *  0.0571% (0.20   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HE21  GLN   90  23.56 +/- 1.73   0.000% *  0.1983% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HE21  GLN   90  22.92 +/- 1.25   0.000% *  0.0803% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HE21  GLN   90  28.71 +/- 2.83   0.000% *  0.1405% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HE21  GLN   90  28.33 +/- 2.80   0.000% *  0.0643% (0.22   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HE21  GLN   90  28.00 +/- 2.23   0.000% *  0.0391% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 95.6:
      O   HB2   GLN   90 - HN    GLN   90   3.58 +/- 0.46  99.843% * 99.4917% (0.73  10.0   5.59  95.62) = 100.000%  kept
          HB3   GLU-  79 - HN    GLN   90  12.18 +/- 1.57   0.148% *  0.1343% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLN   90  22.74 +/- 1.76   0.002% *  0.1229% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  21.71 +/- 1.70   0.003% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLN   90  25.50 +/- 1.51   0.001% *  0.1367% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  24.91 +/- 1.83   0.001% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  29.14 +/- 1.55   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 0.867, support = 5.55, residual support = 41.0:
          QD2   LEU   73 - HN    PHE   72   3.06 +/- 0.31  97.414% * 98.5702% (0.87   5.55  40.99) =  99.995%  kept
          QG2   VAL   18 - HN    PHE   72   6.41 +/- 0.46   1.494% *  0.1396% (0.34   0.02   5.16) =   0.002%
          QG1   VAL   41 - HN    PHE   72   7.57 +/- 0.56   0.559% *  0.3129% (0.76   0.02   0.02) =   0.002%
          QG1   VAL   43 - HN    PHE   72   7.84 +/- 0.68   0.424% *  0.2318% (0.57   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    PHE   72  11.05 +/- 1.04   0.058% *  0.3951% (0.97   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    PHE   72  11.77 +/- 0.84   0.037% *  0.1021% (0.25   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    PHE   72  14.03 +/- 0.90   0.015% *  0.2483% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.48, residual support = 37.8:
          QB    ALA   64 - HN    PHE   72   4.65 +/- 0.40  99.942% * 99.8592% (1.00   2.48  37.84) = 100.000%  kept
          QB    ALA   47 - HN    PHE   72  16.43 +/- 0.66   0.058% *  0.1408% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 2 structures by 0.20 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.707, support = 2.61, residual support = 8.26:
          HB    ILE   19 - HN    LYS+  74   4.92 +/- 0.80  92.219% * 95.9632% (0.71   2.61   8.27) =  99.959%  kept
          QB    GLU-  15 - HN    LYS+  74  11.72 +/- 1.84   3.673% *  0.4465% (0.43   0.02   0.02) =   0.019%
          HB2   GLN   17 - HN    LYS+  74   9.67 +/- 1.22   2.471% *  0.4465% (0.43   0.02   0.02) =   0.012%
          HB3   GLU-  25 - HN    LYS+  74  11.29 +/- 1.29   1.270% *  0.5895% (0.57   0.02   0.02) =   0.008%
          HG2   PRO   68 - HN    LYS+  74  16.85 +/- 1.09   0.084% *  0.7216% (0.69   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    LYS+  74  18.35 +/- 1.15   0.045% *  0.7345% (0.71   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LYS+  74  16.91 +/- 1.12   0.075% *  0.2763% (0.27   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+  74  16.74 +/- 1.51   0.086% *  0.1836% (0.18   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LYS+  74  17.49 +/- 1.08   0.058% *  0.2511% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LYS+  74  22.26 +/- 1.86   0.018% *  0.3873% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 4 structures by 0.54 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.372, support = 5.42, residual support = 40.6:
          QD1   LEU   73 - HN    LYS+  74   4.71 +/- 0.21  80.606% * 97.1245% (0.37   5.43  40.69) =  99.860%  kept
          QD2   LEU   80 - HN    LYS+  74   6.51 +/- 0.91  15.431% *  0.6100% (0.64   0.02   0.02) =   0.120%
          QG1   VAL   83 - HN    LYS+  74   9.08 +/- 0.75   1.752% *  0.5198% (0.54   0.02   0.02) =   0.012%
          QD1   LEU   63 - HN    LYS+  74  10.53 +/- 1.61   1.205% *  0.3579% (0.37   0.02   0.02) =   0.005%
          QD2   LEU  115 - HN    LYS+  74  13.83 +/- 1.92   0.190% *  0.5900% (0.61   0.02   0.02) =   0.001%
          QG2   ILE   89 - HN    LYS+  74  10.80 +/- 1.11   0.739% *  0.1191% (0.12   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LYS+  74  15.20 +/- 0.98   0.077% *  0.6787% (0.71   0.02   0.02) =   0.001%
    Distance limit 4.53 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.343, support = 4.57, residual support = 28.3:
          QG2   THR   77 - HN    ASP-  78   3.99 +/- 0.17  86.312% * 77.9342% (0.34   4.60  28.51) =  99.298%  kept
          HB3   LEU   80 - HN    ASP-  78   7.22 +/- 0.55   2.864% * 15.9727% (0.69   0.47   2.52) =   0.675%  kept
          QB    ALA   84 - HN    ASP-  78   5.79 +/- 0.42  10.473% *  0.1532% (0.15   0.02   0.02) =   0.024%
          QB    ALA   88 - HN    ASP-  78  11.91 +/- 0.71   0.129% *  0.7208% (0.73   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ASP-  78  11.42 +/- 0.98   0.187% *  0.4450% (0.45   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    ASP-  78  18.97 +/- 0.58   0.008% *  0.8291% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  78  21.87 +/- 2.93   0.005% *  0.8902% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ASP-  78  19.20 +/- 1.26   0.008% *  0.5620% (0.57   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  78  18.24 +/- 1.56   0.011% *  0.2210% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  78  25.86 +/- 1.15   0.001% *  0.9926% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  78  28.63 +/- 0.65   0.001% *  0.9730% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  78  26.92 +/- 1.46   0.001% *  0.3064% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.24 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   6.24 +/- 1.93  96.787% * 32.6601% (0.92   0.02   0.02) =  96.606%  kept
          QG1   VAL   42 - HN    ASP-  78  13.50 +/- 0.54   3.022% * 34.6797% (0.98   0.02   0.02) =   3.203%  kept
          HG2   LYS+ 112 - HN    ASP-  78  20.13 +/- 2.98   0.191% * 32.6601% (0.92   0.02   0.02) =   0.190%
    Distance limit 4.48 A violated in 14 structures by 1.87 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.599, support = 4.3, residual support = 24.5:
          HB    THR   77 - HN    ASP-  78   4.04 +/- 0.20  77.502% * 37.3370% (0.45   4.60  28.51) =  68.253%  kept
          HA    GLU-  79 - HN    ASP-  78   5.00 +/- 0.07  22.086% * 60.9387% (0.92   3.65  16.03) =  31.745%  kept
          HA1   GLY   51 - HN    ASP-  78  13.37 +/- 1.72   0.073% *  0.3610% (1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ASP-  78  11.76 +/- 0.52   0.131% *  0.1622% (0.45   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ASP-  78  11.53 +/- 0.51   0.152% *  0.1358% (0.38   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ASP-  78  14.04 +/- 1.11   0.048% *  0.3245% (0.90   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  78  20.18 +/- 1.17   0.006% *  0.2048% (0.57   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP-  78  25.48 +/- 0.35   0.001% *  0.3492% (0.97   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  78  29.30 +/- 3.90   0.001% *  0.1234% (0.34   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ASP-  78  25.67 +/- 1.37   0.001% *  0.0634% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 38.3:
      O   HA    ASP-  78 - HN    ASP-  78   2.82 +/- 0.03  99.277% * 99.8154% (1.00  10.0   4.57  38.34) = 100.000%  kept
          HA    LEU   80 - HN    ASP-  78   7.03 +/- 0.18   0.422% *  0.0486% (0.49   1.0   0.02   2.52) =   0.000%
          HA    THR   23 - HN    ASP-  78   8.34 +/- 0.54   0.163% *  0.0866% (0.87   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP-  78   9.17 +/- 1.34   0.138% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  21.96 +/- 0.89   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 217.9:
      O   HA    ILE  119 - HN    ILE  119   2.83 +/- 0.03  75.874% * 50.7779% (1.00  10.0   8.74 262.08) =  79.910%  kept
      O   HA    THR  118 - HN    ILE  119   3.55 +/- 0.05  19.766% * 49.0042% (0.97  10.0   5.46  42.27) =  20.090%  kept
          HA    VAL   75 - HN    CYS   21   5.41 +/- 1.11   4.058% *  0.0028% (0.06   1.0   0.02   3.88) =   0.000%
          HA2   GLY  109 - HN    ILE  119  12.46 +/- 2.38   0.293% *  0.0369% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  14.08 +/- 1.01   0.006% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  21.00 +/- 1.51   0.001% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  18.88 +/- 1.83   0.001% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ILE  119  23.35 +/- 1.47   0.000% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  19.50 +/- 1.51   0.001% *  0.0159% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  21.10 +/- 1.70   0.001% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  19.13 +/- 1.22   0.001% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  22.72 +/- 1.79   0.000% *  0.0117% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 31.5:
          HB2   CYS   53 - HN    ARG+  54   3.24 +/- 0.27  90.209% * 83.7416% (0.72   5.51  31.92) =  98.696%  kept
          HD3   PRO   52 - HN    ARG+  54   5.07 +/- 0.11   6.704% * 14.7799% (0.26   2.67   1.76) =   1.294%  kept
          HD2   PRO   58 - HN    ARG+  54   6.47 +/- 0.82   1.800% *  0.3672% (0.87   0.02   0.02) =   0.009%
          HD2   PRO   58 - HN    ASP-  62   6.83 +/- 0.43   1.216% *  0.0687% (0.16   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    ASP-  62  11.63 +/- 0.97   0.060% *  0.0569% (0.14   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ARG+  54  20.84 +/- 1.59   0.001% *  0.3450% (0.82   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  16.91 +/- 0.54   0.005% *  0.0207% (0.05   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ARG+  54  24.91 +/- 1.38   0.001% *  0.1357% (0.32   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ARG+  54  28.92 +/- 1.19   0.000% *  0.3322% (0.79   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  19.60 +/- 1.10   0.002% *  0.0254% (0.06   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  22.67 +/- 1.47   0.001% *  0.0622% (0.15   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  22.99 +/- 1.12   0.001% *  0.0646% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.945, support = 1.45, residual support = 3.39:
          QG2   VAL   18 - HN    ALA   61   4.94 +/- 1.30  88.709% * 94.1035% (0.95   1.46   3.40) =  99.868%  kept
          QG2   THR   46 - HN    ALA   61   8.84 +/- 1.21   5.764% *  1.1855% (0.87   0.02   0.02) =   0.082%
          QD1   ILE   19 - HN    ALA   61  10.29 +/- 1.08   2.331% *  0.7190% (0.53   0.02   0.02) =   0.020%
          QG1   VAL   43 - HN    ALA   61  11.31 +/- 0.82   1.144% *  1.3637% (1.00   0.02   0.02) =   0.019%
          QD2   LEU   73 - HN    ALA   61  10.46 +/- 0.74   1.660% *  0.3408% (0.25   0.02   0.02) =   0.007%
          QG1   VAL   41 - HN    ALA   61  14.60 +/- 0.73   0.239% *  1.2616% (0.92   0.02   0.02) =   0.004%
          QD2   LEU  104 - HN    ALA   61  17.03 +/- 0.94   0.106% *  0.5129% (0.38   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ALA   61  19.09 +/- 0.76   0.047% *  0.5129% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 6 structures by 0.68 A, kept.
 
    Peak 1251 (2.15, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 4.96, residual support = 51.7:
          QB    GLU-  36 - HN    ASN   35   4.10 +/- 0.09  95.636% * 98.3845% (0.92   4.96  51.73) =  99.992%  kept
          HB2   LYS+  38 - HN    ASN   35   7.17 +/- 0.23   3.479% *  0.1195% (0.28   0.02   0.02) =   0.004%
          HB3   GLU-  29 - HN    ASN   35   9.40 +/- 0.32   0.672% *  0.4259% (0.99   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    ASN   35  11.43 +/- 0.29   0.206% *  0.3120% (0.73   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    ASN   35  21.40 +/- 1.04   0.005% *  0.3727% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   35  27.27 +/- 1.01   0.001% *  0.3854% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.75 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 = 43.6:
      O   QB    MET   11 - HN    MET   11   3.02 +/- 0.44  99.710% * 99.3665% (0.69  10.0   3.00  43.63) = 100.000%  kept
          QG    GLU-  14 - HN    MET   11  10.31 +/- 1.73   0.221% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   11  12.24 +/- 2.19   0.059% *  0.0361% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    MET   11  18.20 +/- 4.25   0.007% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    MET   11  26.87 +/- 4.50   0.001% *  0.1050% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    MET   11  23.98 +/- 4.50   0.001% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  24.57 +/- 3.26   0.001% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  32.58 +/- 3.38   0.000% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  36.17 +/- 3.78   0.000% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  35.46 +/- 4.22   0.000% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 43.6:
          HG2   MET   11 - HN    MET   11   3.88 +/- 0.64  99.205% * 97.3781% (0.92   3.31  43.63) =  99.995%  kept
          HB2   GLU-  14 - HN    MET   11  10.75 +/- 2.08   0.748% *  0.6025% (0.95   0.02   0.02) =   0.005%
          QB    GLN   32 - HN    MET   11  18.19 +/- 3.80   0.031% *  0.1771% (0.28   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    MET   11  20.73 +/- 4.06   0.012% *  0.3100% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    MET   11  30.16 +/- 3.45   0.001% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    MET   11  26.68 +/- 4.04   0.002% *  0.1418% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    MET   11  36.43 +/- 4.82   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    MET   11  31.08 +/- 4.45   0.001% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 43.6:
          HG3   MET   11 - HN    MET   11   2.98 +/- 0.50  99.895% * 98.0255% (0.92   3.31  43.63) =  99.999%  kept
          HB3   GLU-  14 - HN    MET   11  11.08 +/- 1.94   0.100% *  0.4900% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   11  19.75 +/- 3.40   0.002% *  0.2187% (0.34   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   11  23.81 +/- 4.23   0.002% *  0.1269% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   11  28.17 +/- 3.25   0.000% *  0.4404% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    MET   11  24.53 +/- 3.40   0.001% *  0.0989% (0.15   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    MET   11  29.07 +/- 3.07   0.000% *  0.2875% (0.45   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    MET   11  36.16 +/- 3.96   0.000% *  0.3121% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1255 (1.55, 8.48, 122.27 ppm):
    7 chemical-shift based assignments, quality = 0.924, support = 0.02, residual support = 0.02:
          HG2   LYS+  33 - HN    MET   11  17.17 +/- 3.74  71.064% * 22.9200% (1.00   0.02   0.02) =  81.722%  kept
          HD3   LYS+  74 - HN    MET   11  23.30 +/- 4.13  16.678% * 12.0587% (0.53   0.02   0.02) =  10.091%  kept
          QG    LYS+  81 - HN    MET   11  28.75 +/- 4.04   3.572% * 19.1444% (0.84   0.02   0.02) =   3.431%  kept
          HG2   LYS+ 106 - HN    MET   11  33.73 +/- 3.60   1.939% * 17.5161% (0.76   0.02   0.02) =   1.704%  kept
          HB3   LYS+ 121 - HN    MET   11  31.51 +/- 3.62   3.156% *  8.6021% (0.38   0.02   0.02) =   1.362%  kept
          HG    LEU  104 - HN    MET   11  29.94 +/- 3.11   2.492% *  8.6021% (0.38   0.02   0.02) =   1.076%  kept
          HB3   LYS+ 111 - HN    MET   11  38.07 +/- 4.67   1.099% * 11.1564% (0.49   0.02   0.02) =   0.615%  kept
    Distance limit 4.26 A violated in 20 structures by 11.41 A, eliminated.
    Peak unassigned.
 
    Peak 1256 (2.08, 8.37, 125.10 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 3.59, residual support = 12.2:
          HG2   MET   11 - HN    ALA   12   4.12 +/- 0.23  97.210% * 97.8411% (0.72   3.59  12.20) =  99.984%  kept
          HB2   GLU-  14 - HN    ALA   12   8.00 +/- 1.33   2.749% *  0.5443% (0.72   0.02   0.02) =   0.016%
          HB2   PRO   68 - HN    ALA   12  18.04 +/- 3.77   0.036% *  0.1517% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    ALA   12  27.75 +/- 2.91   0.002% *  0.5347% (0.71   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA   12  28.72 +/- 3.26   0.001% *  0.2243% (0.30   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    ALA   12  34.18 +/- 3.78   0.000% *  0.5347% (0.71   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA   12  31.04 +/- 3.64   0.001% *  0.0955% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  33.46 +/- 3.47   0.001% *  0.0738% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.02 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   2.70 +/- 0.31  99.975% * 99.1918% (0.68  10.0   2.30  12.32) = 100.000%  kept
          HG3   LYS+  33 - HN    ALA   12  15.30 +/- 3.29   0.016% *  0.0992% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   12  18.41 +/- 2.40   0.003% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   12  18.65 +/- 2.84   0.002% *  0.0876% (0.60   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  19.99 +/- 2.15   0.001% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  18.78 +/- 3.05   0.002% *  0.0470% (0.32   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  22.18 +/- 2.47   0.001% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  30.52 +/- 3.51   0.000% *  0.0840% (0.58   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  25.53 +/- 3.14   0.000% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  29.99 +/- 4.30   0.000% *  0.0431% (0.30   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  30.62 +/- 2.72   0.000% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  33.83 +/- 3.06   0.000% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  28.81 +/- 3.15   0.000% *  0.0142% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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   2.96 +/- 0.59  99.886% * 91.5358% (0.95   1.76   5.18) =  99.999%  kept
          HG3   LYS+  33 - HN    SER   13  14.74 +/- 2.74   0.064% *  1.0389% (0.95   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    SER   13  15.45 +/- 1.91   0.015% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   13  16.75 +/- 2.33   0.012% *  0.9173% (0.84   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   13  18.02 +/- 1.73   0.007% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    SER   13  16.50 +/- 2.21   0.010% *  0.4924% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    SER   13  21.02 +/- 2.11   0.003% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   13  29.63 +/- 3.08   0.000% *  0.8794% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    SER   13  23.89 +/- 2.37   0.001% *  0.3053% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    SER   13  28.16 +/- 3.88   0.000% *  0.4515% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   13  28.82 +/- 2.10   0.000% *  0.6661% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   13  31.10 +/- 2.29   0.000% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    SER   13  26.27 +/- 2.63   0.000% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 6.66:
          QB    SER   13 - HN    GLU-  14   3.55 +/- 0.50  99.719% * 95.5699% (0.45   2.47   6.66) =  99.997%  kept
          HB3   SER   37 - HN    GLU-  14  13.91 +/- 3.15   0.133% *  1.0011% (0.58   0.02   0.02) =   0.001%
          HB    THR   39 - HN    GLU-  14  14.04 +/- 2.92   0.145% *  0.8233% (0.48   0.02   0.02) =   0.001%
          HB    THR  118 - HN    GLU-  14  24.57 +/- 1.84   0.001% *  1.1959% (0.70   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLU-  14  28.98 +/- 1.59   0.000% *  1.0011% (0.58   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLU-  14  26.91 +/- 2.09   0.001% *  0.4088% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 0.517, support = 3.63, residual support = 41.7:
          QG    GLU-  14 - HN    GLU-  14   3.57 +/- 0.84  68.294% * 71.8194% (0.53   3.93  48.15) =  86.244%  kept
          QG    GLU-  15 - HN    GLU-  14   4.74 +/- 1.03  30.457% * 25.6810% (0.42   1.77   1.18) =  13.753%  kept
          QB    MET   11 - HN    GLU-  14   7.89 +/- 1.06   1.164% *  0.0946% (0.14   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    GLU-  14  12.42 +/- 0.93   0.057% *  0.3993% (0.58   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  14  15.82 +/- 2.14   0.017% *  0.3471% (0.51   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  14  17.22 +/- 1.01   0.008% *  0.3471% (0.51   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  14  22.15 +/- 1.62   0.002% *  0.4738% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  14  27.97 +/- 1.56   0.000% *  0.4287% (0.62   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  14  24.99 +/- 1.53   0.001% *  0.1192% (0.17   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  14  29.50 +/- 1.51   0.000% *  0.2899% (0.42   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1261 (2.08, 8.32, 122.30 ppm):
    8 chemical-shift based assignments, quality = 0.695, support = 3.88, residual support = 48.1:
      O   HB2   GLU-  14 - HN    GLU-  14   3.20 +/- 0.50  99.417% * 99.6047% (0.70  10.0   3.88  48.15) =  99.999%  kept
          HG2   MET   11 - HN    GLU-  14   9.01 +/- 1.46   0.472% *  0.0998% (0.70   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU-  14  13.92 +/- 3.73   0.108% *  0.0278% (0.19   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU-  14  22.61 +/- 1.46   0.001% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  24.09 +/- 1.96   0.001% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  29.44 +/- 2.35   0.000% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  26.09 +/- 2.41   0.001% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  29.05 +/- 2.10   0.000% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1262 (1.93, 8.32, 122.30 ppm):
    5 chemical-shift based assignments, quality = 0.625, support = 3.88, residual support = 48.1:
      O   HB3   GLU-  14 - HN    GLU-  14   3.26 +/- 0.24  99.485% * 99.6986% (0.62  10.0   3.88  48.15) = 100.000%  kept
          HG3   MET   11 - HN    GLU-  14   9.01 +/- 1.54   0.505% *  0.0807% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    GLU-  14  18.40 +/- 3.00   0.008% *  0.0850% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    GLU-  14  22.39 +/- 1.34   0.001% *  0.1109% (0.70   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    GLU-  14  26.17 +/- 2.36   0.000% *  0.0247% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1263 (2.20, 7.69, 115.83 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.5, residual support = 84.3:
          QG    GLN   17 - HN    GLN   17   2.78 +/- 0.63  99.812% * 98.8144% (1.00   5.50  84.28) =  99.999%  kept
          HB    VAL   70 - HN    GLN   17   9.34 +/- 1.17   0.174% *  0.3528% (0.98   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    GLN   17  16.62 +/- 1.01   0.005% *  0.2328% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    GLN   17  18.67 +/- 1.12   0.002% *  0.3567% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   17  18.48 +/- 1.80   0.003% *  0.1001% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    GLN   17  18.10 +/- 1.25   0.003% *  0.0630% (0.18   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLN   17  20.07 +/- 2.03   0.001% *  0.0801% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.01, residual support = 80.3:
      O   HB2   GLN   17 - HN    GLN   17   3.75 +/- 0.33  61.659% * 91.6424% (0.92  10.0   5.17  84.28) =  95.272%  kept
          QB    GLU-  15 - HN    GLN   17   4.17 +/- 0.54  35.666% *  7.8564% (0.92   1.0   1.71   0.02) =   4.724%  kept
          HB    ILE   19 - HN    GLN   17   7.14 +/- 0.74   1.523% *  0.0795% (0.80   1.0   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    GLN   17  10.15 +/- 2.77   0.912% *  0.0562% (0.57   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    GLN   17  10.76 +/- 1.61   0.156% *  0.0721% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLN   17  12.09 +/- 1.44   0.077% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN   17  19.57 +/- 1.04   0.003% *  0.0991% (1.00   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLN   17  20.25 +/- 1.62   0.003% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  24.46 +/- 2.15   0.001% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 84.3:
      O   HB3   GLN   17 - HN    GLN   17   3.25 +/- 0.32  97.147% * 99.6298% (0.98  10.0   5.17  84.28) =  99.998%  kept
          QB    LYS+  65 - HN    GLN   17   6.74 +/- 1.12   2.437% *  0.0738% (0.73   1.0   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    GLN   17  10.43 +/- 1.54   0.198% *  0.0777% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    GLN   17   9.44 +/- 0.89   0.198% *  0.0178% (0.18   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   17  15.12 +/- 0.99   0.012% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   17  19.36 +/- 1.89   0.003% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    GLN   17  21.15 +/- 1.57   0.002% *  0.0616% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  19.93 +/- 1.86   0.003% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  22.83 +/- 0.93   0.001% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1266 (2.01, 8.66, 110.73 ppm):
    12 chemical-shift based assignments, quality = 0.975, support = 1.96, residual support = 6.18:
          QB    GLU-  15 - HN    GLY   16   2.54 +/- 0.47  94.763% * 39.2638% (0.98   1.94   6.03) =  98.527%  kept
          HB2   GLN   17 - HN    GLY   16   6.11 +/- 0.40   0.927% * 58.5442% (0.98   2.90  16.48) =   1.437%  kept
          HB3   PRO   68 - HN    GLY   16   8.76 +/- 3.01   4.021% *  0.3238% (0.78   0.02   0.02) =   0.034%
          HG2   PRO   68 - HN    GLY   16   9.49 +/- 1.90   0.161% *  0.1968% (0.47   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    GLY   16   8.45 +/- 0.79   0.103% *  0.2289% (0.55   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    GLY   16  12.59 +/- 1.53   0.011% *  0.1662% (0.40   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLY   16  12.65 +/- 1.36   0.011% *  0.0708% (0.17   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLY   16  20.64 +/- 1.29   0.000% *  0.3825% (0.92   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLY   16  20.88 +/- 1.76   0.001% *  0.2616% (0.63   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLY   16  17.00 +/- 2.25   0.002% *  0.0708% (0.17   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLY   16  25.38 +/- 2.23   0.000% *  0.4007% (0.97   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLY   16  20.60 +/- 2.44   0.001% *  0.0900% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.20 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   3.67 +/- 0.24  99.689% * 98.7512% (0.70   5.81  50.10) =  99.999%  kept
          HB    VAL   70 - HN    VAL   18  10.31 +/- 1.00   0.262% *  0.3028% (0.62   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    VAL   18  17.59 +/- 1.03   0.010% *  0.3910% (0.81   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   18  14.82 +/- 0.95   0.026% *  0.1167% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   18  20.73 +/- 1.11   0.004% *  0.3215% (0.66   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   18  18.13 +/- 1.35   0.009% *  0.1167% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 76.5:
      O   HB    VAL   18 - HN    VAL   18   2.56 +/- 0.40  99.042% * 99.4605% (0.70  10.0   4.99  76.52) = 100.000%  kept
          HB    ILE   19 - HN    VAL   18   6.68 +/- 0.56   0.794% *  0.0305% (0.21   1.0   0.02  20.61) =   0.000%
          HB2   LEU   67 - HN    VAL   18   9.11 +/- 1.66   0.135% *  0.1296% (0.91   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    VAL   18  12.88 +/- 0.71   0.009% *  0.1264% (0.89   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    VAL   18  12.78 +/- 1.38   0.015% *  0.0381% (0.27   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    VAL   18  16.20 +/- 1.17   0.002% *  0.1296% (0.91   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    VAL   18  16.25 +/- 1.56   0.003% *  0.0614% (0.43   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  18.18 +/- 1.51   0.001% *  0.0240% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 0.332, support = 5.44, residual support = 49.8:
          HB3   GLN   17 - HN    VAL   18   3.55 +/- 0.45  96.327% * 82.1117% (0.33   5.47  50.10) =  99.468%  kept
          QB    LYS+  65 - HN    VAL   18   6.71 +/- 1.08   3.166% * 13.2329% (0.87   0.34   0.10) =   0.527%  kept
          QB    LYS+  66 - HN    VAL   18   9.70 +/- 1.06   0.305% *  0.7349% (0.81   0.02   0.02) =   0.003%
          HB2   LEU   71 - HN    VAL   18  11.13 +/- 0.86   0.133% *  0.7632% (0.84   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    VAL   18  16.17 +/- 2.09   0.022% *  0.8720% (0.96   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    VAL   18  15.07 +/- 1.05   0.022% *  0.5692% (0.62   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   18  17.04 +/- 2.02   0.013% *  0.2194% (0.24   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   18  20.95 +/- 1.14   0.003% *  0.8491% (0.93   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    VAL   18  19.76 +/- 1.55   0.004% *  0.4283% (0.47   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   18  19.23 +/- 1.18   0.005% *  0.2194% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.909, support = 5.2, residual support = 75.9:
          QG2   VAL   18 - HN    VAL   18   2.22 +/- 0.54  97.122% * 71.8182% (0.91   5.22  76.52) =  98.985%  kept
          QD1   ILE   19 - HN    VAL   18   5.16 +/- 1.08   2.640% * 27.0795% (0.51   3.54  20.61) =   1.015%  kept
          QG2   THR   46 - HN    VAL   18   9.63 +/- 1.36   0.059% *  0.2524% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    VAL   18   7.29 +/- 0.80   0.159% *  0.0726% (0.24   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    VAL   18  11.17 +/- 0.67   0.014% *  0.2903% (0.96   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    VAL   18  13.11 +/- 0.96   0.004% *  0.2686% (0.89   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   18  16.53 +/- 0.91   0.001% *  0.1092% (0.36   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   18  17.93 +/- 1.04   0.001% *  0.1092% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 8.53:
          QB    ALA   64 - HN    VAL   18   3.47 +/- 0.82  99.907% * 99.8615% (0.84   2.25   8.53) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   18  12.59 +/- 1.45   0.093% *  0.1385% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 1 structures by 0.11 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.43, support = 3.6, residual support = 18.9:
          HN    PHE   59 - HN    PHE   60   2.79 +/- 0.10  83.551% * 60.6047% (0.44   3.67  19.15) =  94.735%  kept
          QE    PHE   59 - HN    THR  118   4.51 +/- 0.78   8.739% * 16.3889% (0.16   2.74  11.21) =   2.680%  kept
          QE    PHE   59 - HN    PHE   60   4.96 +/- 1.14   7.099% * 19.4529% (0.28   1.84  19.15) =   2.584%  kept
          HN    HIS  122 - HN    THR  118   6.70 +/- 0.14   0.444% *  0.1581% (0.21   0.02   2.81) =   0.001%
          HN    PHE   59 - HN    THR  118  10.31 +/- 0.87   0.038% *  0.1867% (0.25   0.02  11.21) =   0.000%
          HN    LYS+  66 - HN    PHE   60   8.95 +/- 0.33   0.080% *  0.0612% (0.08   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    PHE   60  11.89 +/- 0.84   0.016% *  0.2797% (0.37   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    GLU-  15  11.66 +/- 0.96   0.018% *  0.1311% (0.18   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    GLU-  15  18.11 +/- 1.12   0.001% *  0.7081% (0.95   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    GLU-  15  16.99 +/- 1.38   0.002% *  0.4540% (0.61   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    GLU-  15  20.32 +/- 2.13   0.001% *  0.5994% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    THR  118  13.26 +/- 1.28   0.009% *  0.0346% (0.05   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    PHE   60  19.07 +/- 1.33   0.001% *  0.2537% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    GLU-  15  23.61 +/- 2.44   0.000% *  0.5436% (0.73   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    THR  118  19.08 +/- 1.92   0.001% *  0.1434% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 4.73, residual support = 40.6:
          HN    ALA   61 - HN    PHE   60   2.65 +/- 0.17  99.967% * 94.4816% (0.47   4.73  40.60) = 100.000%  kept
          HN    ALA   61 - HN    GLU-  15  14.00 +/- 1.17   0.006% *  0.8559% (1.00   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR  118  12.37 +/- 0.68   0.011% *  0.2257% (0.26   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLU-  15  16.82 +/- 1.56   0.002% *  0.6541% (0.76   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    PHE   60  16.59 +/- 1.13   0.002% *  0.3959% (0.46   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLU-  15  15.62 +/- 2.52   0.004% *  0.1694% (0.20   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    PHE   60  18.53 +/- 1.04   0.001% *  0.3053% (0.36   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    PHE   60  18.88 +/- 1.18   0.001% *  0.3465% (0.40   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR  118  17.99 +/- 1.85   0.001% *  0.1958% (0.23   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR  118  18.99 +/- 1.36   0.001% *  0.2237% (0.26   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    PHE   60  17.28 +/- 0.89   0.001% *  0.0700% (0.08   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLU-  15  26.16 +/- 2.05   0.000% *  0.7424% (0.87   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLU-  15  27.52 +/- 1.69   0.000% *  0.8483% (0.99   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  20.35 +/- 1.15   0.001% *  0.0790% (0.09   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    THR  118  23.65 +/- 1.18   0.000% *  0.1725% (0.20   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  18.85 +/- 1.54   0.001% *  0.0395% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLU-  15  24.59 +/- 1.64   0.000% *  0.1499% (0.18   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  20.94 +/- 2.21   0.001% *  0.0447% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 71.5:
      O   HB3   PHE   60 - HN    PHE   60   2.87 +/- 0.39  99.693% * 98.9222% (0.47  10.0   4.94  71.47) = 100.000%  kept
          QE    LYS+ 106 - HN    THR  118   9.72 +/- 1.54   0.093% *  0.0529% (0.25   1.0   0.02   3.21) =   0.000%
          HB3   PHE   60 - HN    THR  118  10.96 +/- 1.55   0.058% *  0.0559% (0.26   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    THR  118   9.97 +/- 2.15   0.107% *  0.0294% (0.14   1.0   0.02   1.90) =   0.000%
          HB3   PHE   60 - HN    GLU-  15  15.19 +/- 1.81   0.013% *  0.2120% (1.00   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    PHE   60  14.26 +/- 1.11   0.009% *  0.0936% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    PHE   60  13.43 +/- 1.25   0.013% *  0.0520% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    GLU-  15  16.74 +/- 1.65   0.005% *  0.1032% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    GLU-  15  20.79 +/- 1.98   0.002% *  0.1115% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   60  16.48 +/- 1.05   0.004% *  0.0482% (0.23   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    GLU-  15  23.39 +/- 1.90   0.001% *  0.2005% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  15  19.75 +/- 2.30   0.002% *  0.0529% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  21.22 +/- 1.30   0.001% *  0.0272% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  24.11 +/- 1.32   0.000% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  24.89 +/- 1.88   0.000% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1275 (3.15, 8.20, 120.98 ppm):
    6 chemical-shift based assignments, quality = 0.39, support = 4.0, residual support = 19.2:
          HB3   PHE   59 - HN    PHE   60   3.52 +/- 0.47  98.835% * 96.9631% (0.39   4.00  19.15) =  99.997%  kept
          HB3   PHE   59 - HN    THR  118   8.23 +/- 0.99   1.149% *  0.2740% (0.22   0.02  11.21) =   0.003%
          HB3   PHE   59 - HN    GLU-  15  19.07 +/- 1.13   0.005% *  1.0391% (0.84   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   60  17.46 +/- 0.79   0.008% *  0.4649% (0.37   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    GLU-  15  27.76 +/- 2.43   0.001% *  0.9961% (0.80   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    THR  118  23.70 +/- 1.20   0.001% *  0.2627% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.11 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 = 2.9, residual support = 5.46:
        T HN    SER  117 - HN    THR  118   2.71 +/- 0.15  99.964% * 97.7507% (0.17 10.00   2.90   5.46) = 100.000%  kept
        T HN    SER  117 - HN    PHE   60  10.93 +/- 0.69   0.026% *  1.7701% (0.30 10.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    PHE   60  13.62 +/- 1.10   0.008% *  0.1969% (0.34  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    THR  118  19.67 +/- 1.78   0.001% *  0.1088% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    PHE   60  21.88 +/- 1.07   0.000% *  0.1117% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  25.98 +/- 1.33   0.000% *  0.0617% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 4.67, residual support = 38.4:
          QG2   THR  118 - HN    THR  118   3.46 +/- 0.18  98.536% * 99.2298% (0.13   4.67  38.37) =  99.988%  kept
          QG2   THR  118 - HN    PHE   60   7.41 +/- 1.16   1.464% *  0.7702% (0.23   0.02   0.02) =   0.012%
    Distance limit 4.02 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 = 0.118, support = 4.18, residual support = 50.9:
      O   HB    THR  118 - HN    THR  118   2.07 +/- 0.12  67.238% * 18.8462% (0.05  10.0   3.70  38.37) =  58.864%  kept
      O   HA    PHE   60 - HN    PHE   60   2.82 +/- 0.05  10.694% * 79.4048% (0.22  10.0   4.94  71.47) =  39.444%  kept
          QB    SER  117 - HN    THR  118   2.53 +/- 0.22  22.049% *  1.6521% (0.03   1.0   3.16   5.46) =   1.692%  kept
          HA    PHE   60 - HN    THR  118   9.77 +/- 1.11   0.008% *  0.0438% (0.12   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   60   9.35 +/- 0.84   0.009% *  0.0341% (0.09   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.37 +/- 0.64   0.003% *  0.0189% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 3.85, residual support = 38.4:
      O   HA    THR  118 - HN    THR  118   2.82 +/- 0.03  89.707% * 74.8959% (0.14  10.0   3.84  38.37) =  99.124%  kept
          HA    ILE  119 - HN    THR  118   5.16 +/- 0.12   2.451% * 24.1258% (0.17   1.0   5.49  42.27) =   0.872%  kept
          HD3   PRO   58 - HN    PHE   60   4.44 +/- 0.44   7.239% *  0.0311% (0.06   1.0   0.02   0.02) =   0.003%
          HA    ILE  119 - HN    PHE   60   8.49 +/- 0.78   0.142% *  0.1592% (0.30   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    THR  118  10.91 +/- 2.50   0.383% *  0.0439% (0.08   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    PHE   60  11.43 +/- 0.80   0.023% *  0.1356% (0.26   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    PHE   60  13.68 +/- 1.95   0.022% *  0.0796% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    PHE   60  13.55 +/- 0.86   0.008% *  0.0666% (0.13   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    THR  118  11.87 +/- 0.98   0.018% *  0.0172% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    PHE   60  17.06 +/- 0.92   0.002% *  0.1482% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    PHE   60  17.94 +/- 0.86   0.001% *  0.1148% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  20.54 +/- 1.39   0.001% *  0.0634% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  19.66 +/- 1.01   0.001% *  0.0368% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    THR  118  23.37 +/- 1.37   0.000% *  0.0819% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 3.99, residual support = 19.2:
      O   HA    PHE   59 - HN    PHE   60   3.60 +/- 0.04  84.170% * 99.4803% (0.99  10.0   3.99  19.15) =  99.996%  kept
          HA    ILE   56 - HN    PHE   60   5.17 +/- 0.77  13.409% *  0.0154% (0.15   1.0   0.02   2.16) =   0.002%
          HA    ASP- 113 - HN    THR  118   7.01 +/- 0.51   1.718% *  0.0487% (0.48   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    THR  118   9.13 +/- 1.18   0.428% *  0.0802% (0.80   1.0   0.02  11.21) =   0.000%
          HA    ASP- 113 - HN    PHE   60  11.90 +/- 1.11   0.079% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    THR  118  10.70 +/- 1.02   0.148% *  0.0124% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  17.38 +/- 1.23   0.007% *  0.0396% (0.39   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    THR  118  16.45 +/- 2.40   0.012% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  19.57 +/- 1.73   0.004% *  0.0487% (0.48   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    PHE   60  20.08 +/- 0.96   0.003% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   60  18.43 +/- 1.43   0.005% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU-  15  19.76 +/- 2.42   0.005% *  0.0110% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  19.29 +/- 2.37   0.005% *  0.0069% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  23.38 +/- 1.08   0.001% *  0.0175% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  23.54 +/- 2.09   0.001% *  0.0141% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  20.91 +/- 1.29   0.002% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  26.57 +/- 1.73   0.001% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  28.13 +/- 1.78   0.000% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.55 A, kept.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.897, support = 4.76, residual support = 65.0:
      O   HA    PHE   60 - HN    PHE   60   2.82 +/- 0.05  34.997% * 94.1433% (0.96  10.0   4.94  71.47) =  90.133%  kept
          QB    SER  117 - HN    THR  118   2.53 +/- 0.22  64.781% *  5.5677% (0.36   1.0   3.16   5.46) =   9.867%  kept
          HA    LYS+ 121 - HN    THR  118   6.93 +/- 0.33   0.166% *  0.0138% (0.14   1.0   0.02   8.56) =   0.000%
          HA    PHE   60 - HN    THR  118   9.77 +/- 1.11   0.026% *  0.0759% (0.77   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.37 +/- 0.64   0.008% *  0.0437% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  11.37 +/- 0.98   0.009% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  14.86 +/- 1.24   0.002% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   60  13.48 +/- 0.63   0.003% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  12.67 +/- 1.33   0.005% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  14.59 +/- 0.77   0.002% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  19.89 +/- 1.31   0.000% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  22.91 +/- 1.71   0.000% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  23.35 +/- 2.21   0.000% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  23.18 +/- 1.53   0.000% *  0.0053% (0.05   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  25.84 +/- 2.13   0.000% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 0.489, support = 3.36, residual support = 20.0:
          HG12  ILE  119 - HN    THR  118   4.51 +/- 0.43  12.034% * 65.8238% (0.72   4.98  42.27) =  39.217%  kept
          QG    GLU-  14 - HN    GLU-  15   3.46 +/- 0.87  42.194% * 15.7892% (0.36   2.35   1.18) =  32.985%  kept
          QG    GLU-  15 - HN    GLU-  15   3.46 +/- 0.67  42.009% * 13.3487% (0.32   2.29  11.01) =  27.764%  kept
          HG12  ILE  119 - HN    PHE   60   6.73 +/- 0.74   0.837% *  0.3282% (0.89   0.02   0.02) =   0.014%
          HB2   ASP-  44 - HN    PHE   60   7.15 +/- 0.92   0.706% *  0.3282% (0.89   0.02   2.17) =   0.011%
          HB3   PHE   72 - HN    PHE   60   8.65 +/- 0.94   0.207% *  0.3531% (0.96   0.02   7.78) =   0.004%
          HB2   ASP- 105 - HN    THR  118   7.29 +/- 2.37   1.607% *  0.0399% (0.11   0.02   4.51) =   0.003%
          HB3   PHE   72 - HN    GLU-  15  10.08 +/- 1.11   0.118% *  0.1404% (0.38   0.02   0.02) =   0.001%
          QB    MET   11 - HN    GLU-  15  10.13 +/- 1.53   0.187% *  0.0496% (0.13   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    THR  118  13.45 +/- 1.09   0.013% *  0.2645% (0.72   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    PHE   60  14.51 +/- 1.15   0.011% *  0.2930% (0.79   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   60  13.77 +/- 1.63   0.021% *  0.1504% (0.41   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR  118  14.91 +/- 1.33   0.008% *  0.2846% (0.77   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    PHE   60  15.88 +/- 1.64   0.005% *  0.3378% (0.91   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  15  14.97 +/- 1.27   0.009% *  0.1305% (0.35   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   60  18.07 +/- 0.83   0.002% *  0.3627% (0.98   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    PHE   60  13.21 +/- 0.95   0.014% *  0.0495% (0.13   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    THR  118  16.23 +/- 1.89   0.005% *  0.1212% (0.33   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR  118  19.65 +/- 2.21   0.002% *  0.2361% (0.64   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  15  16.28 +/- 1.88   0.005% *  0.0766% (0.21   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    THR  118  19.77 +/- 1.35   0.001% *  0.2923% (0.79   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  15  19.50 +/- 1.57   0.002% *  0.1305% (0.35   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR  118  22.38 +/- 1.84   0.001% *  0.2722% (0.74   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   60  21.82 +/- 1.37   0.001% *  0.1925% (0.52   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   60  23.27 +/- 2.76   0.001% *  0.1248% (0.34   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  15  26.61 +/- 1.65   0.000% *  0.1442% (0.39   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    THR  118  26.65 +/- 1.40   0.000% *  0.1552% (0.42   0.02   0.02) =   0.000%
          QB    MET   11 - HN    THR  118  28.66 +/- 3.07   0.000% *  0.1006% (0.27   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  27.20 +/- 1.67   0.000% *  0.0598% (0.16   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  22.82 +/- 1.64   0.001% *  0.0197% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1287 (1.99, 8.18, 120.93 ppm):
    30 chemical-shift based assignments, quality = 0.0758, support = 1.97, residual support = 10.7:
      O   QB    GLU-  15 - HN    GLU-  15   3.04 +/- 0.33  85.113% * 48.6931% (0.06  10.0   2.01  11.01) =  97.178%  kept
          QB    GLU- 114 - HN    THR  118   4.91 +/- 0.71   7.458% * 11.2868% (0.48   1.0   0.58   0.02) =   1.974%  kept
          HG3   PRO   58 - HN    PHE   60   6.45 +/- 0.28   1.060% * 32.1723% (0.89   1.0   0.90   0.02) =   0.799%  kept
          HB2   LEU  115 - HN    THR  118   5.72 +/- 0.34   2.199% *  0.5547% (0.69   1.0   0.02   0.02) =   0.029%
          HB2   LEU  115 - HN    PHE   60   7.62 +/- 1.06   0.604% *  0.6883% (0.86   1.0   0.02   0.02) =   0.010%
          HB2   GLN   17 - HN    GLU-  15   6.46 +/- 0.98   2.366% *  0.0487% (0.06   1.0   0.02   0.02) =   0.003%
          HG2   PRO   68 - HN    THR  118  15.44 +/- 4.18   0.194% *  0.4887% (0.61   1.0   0.02   0.02) =   0.002%
          HB    VAL   18 - HN    PHE   60   7.89 +/- 0.73   0.327% *  0.1979% (0.25   1.0   0.02   3.11) =   0.002%
          HB    ILE   19 - HN    GLU-  15   8.71 +/- 0.92   0.226% *  0.2168% (0.27   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    PHE   60  10.91 +/- 1.41   0.067% *  0.4813% (0.60   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    PHE   60  11.07 +/- 1.43   0.053% *  0.3862% (0.48   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    PHE   60  14.28 +/- 2.60   0.023% *  0.6064% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    GLU-  15  10.93 +/- 1.69   0.072% *  0.1536% (0.19   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  15  12.86 +/- 2.50   0.040% *  0.2412% (0.30   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    THR  118  13.64 +/- 1.49   0.014% *  0.5735% (0.72   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    PHE   60  13.53 +/- 0.94   0.013% *  0.5451% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   60  11.06 +/- 1.25   0.055% *  0.1224% (0.15   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLU-  15   9.96 +/- 0.69   0.080% *  0.0787% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    THR  118  14.00 +/- 2.08   0.014% *  0.3113% (0.39   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   60  14.51 +/- 1.24   0.009% *  0.1224% (0.15   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    THR  118  16.17 +/- 1.26   0.004% *  0.1595% (0.20   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    THR  118  20.49 +/- 1.71   0.001% *  0.4393% (0.55   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    GLU-  15  19.67 +/- 1.10   0.001% *  0.2830% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    GLU-  15  22.75 +/- 1.69   0.001% *  0.2737% (0.34   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR  118  19.71 +/- 1.72   0.002% *  0.0987% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR  118  19.56 +/- 1.44   0.002% *  0.0987% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   60  22.78 +/- 1.34   0.001% *  0.2206% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU-  15  20.07 +/- 1.73   0.001% *  0.0877% (0.11   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  15  23.78 +/- 1.83   0.000% *  0.1914% (0.24   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    THR  118  28.38 +/- 1.15   0.000% *  0.1778% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1288 (1.69, 8.20, 120.98 ppm):
    30 chemical-shift based assignments, quality = 0.0921, support = 2.16, residual support = 2.16:
          QG1   ILE   56 - HN    PHE   60   4.32 +/- 0.65  89.475% * 44.9670% (0.09   2.17   2.16) =  99.721%  kept
          HB2   LEU   73 - HN    GLU-  15  13.51 +/- 1.88   0.573% *  4.3353% (0.97   0.02   0.02) =   0.062%
          HG3   PRO   93 - HN    PHE   60  10.04 +/- 1.62   1.168% *  1.6022% (0.36   0.02   0.02) =   0.046%
          QD    LYS+ 106 - HN    THR  118   9.49 +/- 1.50   1.537% *  0.9896% (0.22   0.02   3.21) =   0.038%
          HB2   LEU  123 - HN    THR  118   9.15 +/- 0.78   1.347% *  0.9487% (0.21   0.02   0.02) =   0.032%
          HD2   LYS+ 111 - HN    THR  118  10.48 +/- 1.45   0.783% *  1.1613% (0.26   0.02   0.02) =   0.023%
          QG1   ILE   56 - HN    THR  118   7.78 +/- 0.58   3.718% *  0.2345% (0.05   0.02   0.02) =   0.022%
          HB2   LEU   73 - HN    PHE   60  12.80 +/- 1.16   0.223% *  2.0233% (0.45   0.02   1.20) =   0.011%
          HB3   MET   92 - HN    PHE   60  12.72 +/- 1.43   0.200% *  2.0966% (0.47   0.02   0.02) =   0.010%
          HB2   LEU  123 - HN    PHE   60  13.31 +/- 1.53   0.186% *  1.6788% (0.37   0.02   0.02) =   0.008%
          HD2   LYS+ 111 - HN    PHE   60  14.62 +/- 2.30   0.102% *  2.0550% (0.46   0.02   0.02) =   0.005%
          QD    LYS+ 106 - HN    PHE   60  13.89 +/- 1.14   0.112% *  1.7512% (0.39   0.02   0.02) =   0.005%
          HG3   PRO   93 - HN    THR  118  14.44 +/- 2.17   0.167% *  0.9054% (0.20   0.02   0.02) =   0.004%
          QD    LYS+  99 - HN    THR  118  14.25 +/- 2.17   0.119% *  0.9487% (0.21   0.02   0.02) =   0.003%
          QD    LYS+  99 - HN    GLU-  15  18.88 +/- 2.42   0.028% *  3.5971% (0.80   0.02   0.02) =   0.003%
          HB3   MET   92 - HN    THR  118  14.90 +/- 1.09   0.074% *  1.1848% (0.26   0.02   0.02) =   0.002%
          HB2   LEU  123 - HN    GLU-  15  21.05 +/- 3.35   0.016% *  3.5971% (0.80   0.02   0.02) =   0.001%
          QD    LYS+  99 - HN    PHE   60  17.41 +/- 1.14   0.030% *  1.6788% (0.37   0.02   0.02) =   0.001%
          HB2   LEU   73 - HN    THR  118  17.90 +/- 1.51   0.025% *  1.1434% (0.25   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    GLU-  15  19.10 +/- 2.31   0.024% *  1.0001% (0.22   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    THR  118  17.64 +/- 1.91   0.030% *  0.6708% (0.15   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    GLU-  15  23.20 +/- 1.63   0.005% *  3.7522% (0.84   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    GLU-  15  23.42 +/- 2.10   0.005% *  3.4331% (0.76   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    GLU-  15  18.72 +/- 1.45   0.017% *  0.8890% (0.20   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    GLU-  15  24.92 +/- 2.17   0.005% *  2.5433% (0.57   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    PHE   60  21.13 +/- 1.37   0.010% *  1.1870% (0.26   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    GLU-  15  26.13 +/- 1.65   0.002% *  4.4922% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    GLU-  15  30.00 +/- 2.56   0.001% *  4.4033% (0.98   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    PHE   60  22.16 +/- 1.08   0.007% *  0.4668% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    THR  118  20.64 +/- 2.01   0.011% *  0.2638% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 3 structures by 0.32 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 = 2.64, residual support = 40.3:
          QB    ALA   61 - HN    PHE   60   4.23 +/- 0.17  62.998% * 72.5464% (0.25   2.66  40.60) =  99.333%  kept
          HG12  ILE   19 - HN    GLU-  15   7.00 +/- 1.31   5.614% *  1.8557% (0.84   0.02   0.02) =   0.226%
          HD3   LYS+ 121 - HN    THR  118   5.99 +/- 1.59  17.079% *  0.5409% (0.24   0.02   8.56) =   0.201%
          QB    ALA   12 - HN    GLU-  15   7.30 +/- 1.55   7.997% *  0.8338% (0.38   0.02   0.02) =   0.145%
          QB    ALA  110 - HN    PHE   60  10.20 +/- 2.99   2.842% *  0.7924% (0.36   0.02   0.02) =   0.049%
          QB    ALA   61 - HN    GLU-  15  10.37 +/- 1.11   0.368% *  1.1689% (0.53   0.02   0.02) =   0.009%
          HB3   LEU   67 - HN    GLU-  15  11.30 +/- 1.85   0.497% *  0.8338% (0.38   0.02   0.02) =   0.009%
          QB    ALA  110 - HN    THR  118   9.62 +/- 1.34   0.712% *  0.4478% (0.20   0.02   0.02) =   0.007%
          HB3   LYS+  74 - HN    GLU-  15  13.05 +/- 1.53   0.111% *  1.9924% (0.90   0.02   0.02) =   0.005%
          HB3   LYS+  74 - HN    PHE   60  11.65 +/- 0.98   0.167% *  0.9299% (0.42   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    PHE   60   9.51 +/- 1.02   0.615% *  0.2308% (0.10   0.02   0.02) =   0.003%
          HG12  ILE   19 - HN    PHE   60  13.65 +/- 1.45   0.079% *  0.8661% (0.39   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    PHE   60  14.27 +/- 1.28   0.052% *  0.9571% (0.43   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    PHE   60  12.22 +/- 1.27   0.123% *  0.3891% (0.18   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    GLU-  15  12.82 +/- 0.94   0.093% *  0.4946% (0.22   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    THR  118  11.43 +/- 1.62   0.301% *  0.1304% (0.06   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    THR  118  12.23 +/- 0.57   0.114% *  0.3083% (0.14   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    GLU-  15  18.04 +/- 1.71   0.016% *  1.4372% (0.65   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    THR  118  14.28 +/- 1.96   0.055% *  0.3790% (0.17   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    PHE   60  15.26 +/- 1.25   0.030% *  0.6708% (0.30   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    THR  118  14.39 +/- 2.11   0.064% *  0.2199% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    PHE   60  17.42 +/- 0.99   0.013% *  1.0277% (0.46   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLU-  15  21.26 +/- 1.65   0.005% *  2.2020% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLU-  15  20.82 +/- 2.04   0.006% *  1.6132% (0.73   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLU-  15  23.69 +/- 3.27   0.004% *  2.0508% (0.92   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    PHE   60  17.73 +/- 1.30   0.012% *  0.7529% (0.34   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLU-  15  22.84 +/- 3.24   0.004% *  1.6978% (0.76   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    THR  118  20.69 +/- 2.50   0.008% *  0.4894% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    THR  118  19.45 +/- 1.06   0.007% *  0.5255% (0.24   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    PHE   60  19.46 +/- 2.18   0.008% *  0.3891% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    THR  118  22.43 +/- 1.12   0.003% *  0.5807% (0.26   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    THR  118  22.67 +/- 1.61   0.003% *  0.4255% (0.19   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR  118  24.83 +/- 2.24   0.002% *  0.2199% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1291 (1.28, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.895, support = 3.71, residual support = 25.5:
      O   QB    ALA   34 - HN    ALA   34   2.00 +/- 0.08  98.944% * 99.2769% (0.89  10.0   3.71  25.47) =  99.999%  kept
          QG2   THR   23 - HN    LEU   80   5.70 +/- 0.95   0.444% *  0.0983% (0.89   1.0   0.02   6.02) =   0.000%
          QG2   THR   39 - HN    ALA   34   6.08 +/- 0.91   0.320% *  0.0308% (0.28   1.0   0.02   8.50) =   0.000%
          QG2   THR   77 - HN    LEU   80   5.40 +/- 0.19   0.267% *  0.0221% (0.20   1.0   0.02   0.56) =   0.000%
          HG3   LYS+  38 - HN    ALA   34   8.98 +/- 0.39   0.013% *  0.0582% (0.52   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80  10.10 +/- 1.42   0.009% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  13.23 +/- 0.84   0.001% *  0.1097% (0.99   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.85 +/- 2.04   0.001% *  0.0720% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  15.22 +/- 0.53   0.001% *  0.0889% (0.80   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  19.75 +/- 1.65   0.000% *  0.0804% (0.72   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  16.85 +/- 0.55   0.000% *  0.0246% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  18.17 +/- 0.77   0.000% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  20.76 +/- 0.91   0.000% *  0.0308% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  26.10 +/- 1.14   0.000% *  0.0522% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 3.52, residual support = 25.5:
      O   HA    ALA   34 - HN    ALA   34   2.76 +/- 0.01  96.271% * 82.7203% (0.56  10.0   3.51  25.47) =  99.416%  kept
          HA    LYS+  81 - HN    LEU   80   4.95 +/- 0.15   2.936% * 15.9019% (0.47   1.0   4.62  30.99) =   0.583%  kept
          HA    GLU-  36 - HN    ALA   34   6.86 +/- 0.05   0.410% *  0.0601% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA   34   7.81 +/- 0.26   0.191% *  0.1117% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34  10.30 +/- 2.41   0.173% *  0.0548% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  12.28 +/- 0.49   0.013% *  0.1000% (0.68   1.0   0.02   1.46) =   0.000%
          HA    ARG+  54 - HN    LEU   80  17.47 +/- 1.21   0.002% *  0.1283% (0.88   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  22.78 +/- 5.95   0.001% *  0.1349% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  20.07 +/- 0.62   0.001% *  0.0741% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  21.10 +/- 1.18   0.001% *  0.0950% (0.65   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  20.13 +/- 3.23   0.001% *  0.0491% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.10 +/- 1.62   0.000% *  0.1061% (0.72   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  21.32 +/- 0.82   0.000% *  0.0769% (0.52   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  26.04 +/- 1.22   0.000% *  0.1432% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  24.62 +/- 0.63   0.000% *  0.0538% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  24.74 +/- 1.15   0.000% *  0.0326% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.59 +/- 1.56   0.000% *  0.0364% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  31.34 +/- 2.55   0.000% *  0.1208% (0.82   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.976, support = 6.79, residual support = 42.0:
      O   HA    LYS+  33 - HN    ALA   34   3.61 +/- 0.02  75.963% * 91.0704% (0.99  10.0   6.83  42.87) =  97.989%  kept
          HA    GLN   32 - HN    ALA   34   4.60 +/- 0.21  18.165% *  7.7969% (0.34   1.0   4.98   0.02) =   2.006%  kept
          HB2   SER   82 - HN    LEU   80   7.11 +/- 0.70   1.526% *  0.0779% (0.85   1.0   0.02   0.17) =   0.002%
          HA    GLU-  29 - HN    ALA   34   7.20 +/- 0.36   1.258% *  0.0911% (0.99   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    ALA   34   6.45 +/- 0.36   2.523% *  0.0161% (0.17   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    ALA   34   9.77 +/- 1.03   0.235% *  0.0736% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   80  10.56 +/- 1.46   0.175% *  0.0499% (0.54   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  13.23 +/- 1.02   0.035% *  0.0901% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  12.10 +/- 0.64   0.057% *  0.0309% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  15.25 +/- 0.98   0.014% *  0.0807% (0.88   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  15.26 +/- 0.53   0.014% *  0.0816% (0.89   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  19.17 +/- 1.34   0.004% *  0.0869% (0.94   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  15.16 +/- 1.56   0.017% *  0.0163% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  20.53 +/- 0.72   0.002% *  0.0816% (0.89   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  21.00 +/- 0.57   0.002% *  0.0659% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  18.96 +/- 0.57   0.004% *  0.0281% (0.30   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  23.61 +/- 2.25   0.001% *  0.0736% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  24.03 +/- 1.73   0.001% *  0.0659% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  22.98 +/- 1.30   0.001% *  0.0345% (0.37   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.35 +/- 1.05   0.001% *  0.0557% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  23.65 +/- 0.91   0.001% *  0.0144% (0.16   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  27.28 +/- 1.19   0.000% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 5.44, residual support = 42.4:
          HG3   LYS+  33 - HN    ALA   34   3.56 +/- 0.15  90.424% * 82.9364% (0.76   5.49  42.87) =  98.891%  kept
          QB    ALA   84 - HN    LEU   80   5.44 +/- 0.37   7.900% * 10.6033% (0.54   0.99   0.02) =   1.105%  kept
          HB3   LEU   73 - HN    ALA   34   9.59 +/- 0.70   0.276% *  0.3546% (0.89   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   34   9.89 +/- 0.67   0.221% *  0.3303% (0.83   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    ALA   34   8.44 +/- 0.78   0.624% *  0.0693% (0.17   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   80  10.82 +/- 0.41   0.121% *  0.3176% (0.80   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    ALA   34  10.98 +/- 1.16   0.135% *  0.1925% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   34  14.45 +/- 1.71   0.026% *  0.3650% (0.92   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   80  13.47 +/- 1.43   0.039% *  0.2291% (0.58   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   80  11.73 +/- 1.03   0.089% *  0.0883% (0.22   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   34  14.21 +/- 2.49   0.040% *  0.1484% (0.37   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   80  16.39 +/- 0.65   0.010% *  0.2958% (0.75   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   34  17.73 +/- 0.88   0.006% *  0.3946% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   80  16.14 +/- 1.65   0.012% *  0.1724% (0.44   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   34  17.61 +/- 0.81   0.007% *  0.2398% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   80  18.70 +/- 1.86   0.006% *  0.2707% (0.68   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   80  18.97 +/- 1.50   0.004% *  0.3534% (0.89   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   34  19.92 +/- 4.98   0.008% *  0.1484% (0.37   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   34  15.93 +/- 0.78   0.012% *  0.0986% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   34  19.87 +/- 1.05   0.003% *  0.3303% (0.83   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   80  15.28 +/- 1.20   0.016% *  0.0620% (0.16   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   80  22.02 +/- 2.02   0.002% *  0.3269% (0.82   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   34  17.48 +/- 1.77   0.008% *  0.0693% (0.17   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   80  23.73 +/- 2.46   0.002% *  0.3418% (0.86   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   80  20.60 +/- 2.86   0.004% *  0.1329% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   80  22.55 +/- 1.73   0.002% *  0.2958% (0.75   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   34  21.94 +/- 1.26   0.002% *  0.2558% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   80  19.56 +/- 1.35   0.004% *  0.0620% (0.16   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   34  28.06 +/- 1.59   0.000% *  0.3816% (0.96   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   80  26.84 +/- 2.08   0.001% *  0.1329% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.26 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.725, support = 5.9, residual support = 42.7:
          QB    LYS+  33 - HN    ALA   34   2.83 +/- 0.17  96.226% * 53.1872% (0.72   5.92  42.87) =  98.625%  kept
          QB    LYS+  81 - HN    LEU   80   5.64 +/- 0.16   1.650% * 43.0284% (0.78   4.48  30.99) =   1.368%  kept
          HB3   GLN   30 - HN    ALA   34   5.80 +/- 0.72   1.947% *  0.1699% (0.69   0.02   0.45) =   0.006%
          HB3   LYS+  38 - HN    ALA   34   8.94 +/- 0.15   0.102% *  0.2146% (0.87   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  11.52 +/- 0.89   0.027% *  0.1774% (0.72   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  12.94 +/- 0.88   0.011% *  0.1522% (0.61   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  13.98 +/- 1.35   0.009% *  0.1166% (0.47   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  15.70 +/- 1.29   0.004% *  0.1987% (0.80   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  16.43 +/- 0.94   0.003% *  0.2218% (0.89   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.55 +/- 1.24   0.004% *  0.1301% (0.52   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  16.25 +/- 1.61   0.004% *  0.1204% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  16.86 +/- 0.77   0.002% *  0.1609% (0.65   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  17.09 +/- 1.25   0.002% *  0.1500% (0.61   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  18.86 +/- 1.55   0.001% *  0.2138% (0.86   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  18.12 +/- 1.66   0.002% *  0.1254% (0.51   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  20.30 +/- 0.77   0.001% *  0.2146% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  18.83 +/- 1.28   0.001% *  0.1166% (0.47   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  21.26 +/- 1.41   0.001% *  0.1344% (0.54   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  24.48 +/- 1.72   0.000% *  0.2387% (0.96   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  21.46 +/- 1.25   0.001% *  0.0756% (0.30   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  25.57 +/- 0.98   0.000% *  0.1981% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  25.77 +/- 0.71   0.000% *  0.1922% (0.78   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  25.24 +/- 1.39   0.000% *  0.1301% (0.52   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  25.91 +/- 1.77   0.000% *  0.1078% (0.44   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  24.76 +/- 0.87   0.000% *  0.0844% (0.34   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  27.66 +/- 1.49   0.000% *  0.1400% (0.56   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1296 (4.83, 8.09, 121.65 ppm):
    10 chemical-shift based assignments, quality = 0.498, support = 7.13, residual support = 77.5:
      O   HA    LEU   80 - HN    LEU   80   2.84 +/- 0.03  85.279% * 71.8162% (0.50  10.0   7.18  78.25) =  98.969%  kept
          HA    ASP-  78 - HN    LEU   80   5.58 +/- 0.23   1.595% * 21.6640% (0.94   1.0   3.18   2.52) =   0.558%  kept
          HA    THR   23 - HN    LEU   80   4.71 +/- 0.43   4.712% *  6.1094% (0.85   1.0   1.00   6.02) =   0.465%
          HB    THR   23 - HN    LEU   80   5.48 +/- 1.38   8.404% *  0.0512% (0.36   1.0   0.02   6.02) =   0.007%
          HA    THR   23 - HN    ALA   34  15.11 +/- 0.42   0.004% *  0.1012% (0.70   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ALA   34  16.40 +/- 0.35   0.002% *  0.0424% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  17.93 +/- 0.79   0.001% *  0.0594% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  23.54 +/- 0.55   0.000% *  0.1126% (0.78   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  18.01 +/- 0.97   0.001% *  0.0198% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  21.34 +/- 0.97   0.000% *  0.0239% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 5.45, residual support = 48.2:
      O   HA    GLU-  79 - HN    LEU   80   3.64 +/- 0.01  94.657% * 98.8868% (0.76  10.0   5.45  48.19) =  99.997%  kept
          HB    THR   77 - HN    LEU   80   6.28 +/- 0.29   3.734% *  0.0381% (0.29   1.0   0.02   0.56) =   0.002%
          HA    THR   39 - HN    ALA   34   7.54 +/- 0.38   1.258% *  0.0886% (0.68   1.0   0.02   8.50) =   0.001%
          HA    SER   85 - HN    LEU   80  10.86 +/- 0.31   0.136% *  0.0381% (0.29   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   80  11.51 +/- 0.54   0.099% *  0.0308% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   34  13.28 +/- 1.01   0.045% *  0.0420% (0.32   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   80  16.13 +/- 1.07   0.014% *  0.1210% (0.93   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   80  17.43 +/- 1.41   0.009% *  0.1168% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  15.33 +/- 0.55   0.017% *  0.0255% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    LEU   80  18.35 +/- 1.18   0.006% *  0.0508% (0.39   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  18.58 +/- 3.43   0.011% *  0.0227% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ALA   34  21.82 +/- 1.03   0.002% *  0.1001% (0.77   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   34  21.16 +/- 0.69   0.003% *  0.0818% (0.63   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU   80  23.01 +/- 0.55   0.001% *  0.1071% (0.82   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  21.86 +/- 0.65   0.002% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  22.44 +/- 1.30   0.002% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  24.51 +/- 2.24   0.001% *  0.0284% (0.22   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  29.80 +/- 1.39   0.000% *  0.0966% (0.74   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  27.15 +/- 3.84   0.001% *  0.0275% (0.21   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  26.58 +/- 1.15   0.001% *  0.0343% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 5.44, residual support = 47.5:
          HB3   GLU-  79 - HN    LEU   80   2.97 +/- 0.60  93.935% * 76.6013% (0.79   5.49  48.19) =  98.477%  kept
          QB    GLU-  36 - HN    ALA   34   5.19 +/- 0.26   5.279% * 21.0430% (0.70   1.70   0.02) =   1.520%  kept
          HB3   GLU-  29 - HN    ALA   34   8.04 +/- 0.46   0.370% *  0.2754% (0.78   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    ALA   34   8.57 +/- 0.16   0.244% *  0.0852% (0.24   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   34  10.22 +/- 0.45   0.088% *  0.2109% (0.60   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  11.15 +/- 0.90   0.059% *  0.3082% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  13.86 +/- 0.67   0.014% *  0.2551% (0.72   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  15.23 +/- 0.72   0.008% *  0.3331% (0.94   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  19.35 +/- 0.98   0.002% *  0.2305% (0.65   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  20.75 +/- 0.66   0.001% *  0.2994% (0.85   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  25.82 +/- 0.89   0.000% *  0.2548% (0.72   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   80  26.06 +/- 0.67   0.000% *  0.1030% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.54 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   2.71 +/- 0.02  99.989% * 98.7794% (0.80 10.00   4.04  18.77) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  20.13 +/- 0.63   0.001% *  0.8847% (0.72 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  17.52 +/- 2.99   0.003% *  0.1223% (0.99  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.29 +/- 0.84   0.005% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  16.73 +/- 1.05   0.002% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  25.96 +/- 3.21   0.000% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  22.35 +/- 1.26   0.000% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  24.53 +/- 1.34   0.000% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 5.14, residual support = 31.0:
          HN    LYS+  81 - HN    LEU   80   3.65 +/- 0.19  97.821% * 98.3480% (0.89   5.14  30.99) =  99.998%  kept
          HE3   TRP   27 - HN    LEU   80   8.31 +/- 1.79   1.581% *  0.0855% (0.20   0.02  14.10) =   0.001%
          HE3   TRP   27 - HN    ALA   34  10.27 +/- 2.07   0.511% *  0.0954% (0.22   0.02   0.02) =   0.001%
          QD    PHE   60 - HN    LEU   80  13.37 +/- 0.74   0.044% *  0.3074% (0.72   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  14.99 +/- 1.00   0.024% *  0.3431% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  20.38 +/- 0.79   0.004% *  0.4276% (1.00   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  17.90 +/- 1.34   0.009% *  0.1323% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    LEU   80  19.10 +/- 1.46   0.005% *  0.0672% (0.16   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  22.87 +/- 0.72   0.002% *  0.1185% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   34  25.58 +/- 1.16   0.001% *  0.0751% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.703, support = 1.07, residual support = 3.15:
          HA    GLN   30 - HN    ALA   34   4.62 +/- 0.42  48.468% * 31.0604% (0.80   0.91   0.45) =  55.937%  kept
          HB    THR   39 - HN    ALA   34   5.34 +/- 0.58  23.607% * 38.8693% (0.61   1.50   8.50) =  34.095%  kept
          HB3   SER   37 - HN    ALA   34   5.28 +/- 0.69  24.654% *  9.3208% (0.45   0.49   0.02) =   8.538%  kept
          HB3   SER   82 - HN    LEU   80   7.54 +/- 0.44   2.634% * 14.5036% (0.82   0.41   0.17) =   1.419%  kept
          QB    SER   13 - HN    ALA   34  14.93 +/- 3.46   0.185% *  0.5528% (0.65   0.02   0.02) =   0.004%
          HA    ILE   89 - HN    LEU   80  11.13 +/- 1.01   0.275% *  0.3431% (0.40   0.02   0.02) =   0.004%
          HA    GLN   30 - HN    LEU   80  15.20 +/- 0.69   0.038% *  0.6128% (0.72   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    LEU   80  13.97 +/- 1.10   0.067% *  0.2872% (0.34   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    LEU   80  16.48 +/- 1.68   0.027% *  0.6639% (0.78   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    ALA   34  18.43 +/- 1.49   0.013% *  0.7888% (0.92   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LEU   80  20.87 +/- 0.76   0.006% *  0.4642% (0.54   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   80  22.16 +/- 1.99   0.005% *  0.4951% (0.58   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ALA   34  21.87 +/- 1.55   0.004% *  0.3831% (0.45   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   80  22.77 +/- 0.88   0.003% *  0.3431% (0.40   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   34  20.84 +/- 1.76   0.006% *  0.1318% (0.15   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    ALA   34  23.98 +/- 1.38   0.002% *  0.3207% (0.37   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ALA   34  28.92 +/- 1.23   0.001% *  0.7412% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   80  21.58 +/- 1.18   0.005% *  0.1181% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.75, support = 1.8, residual support = 4.77:
          HA    LEU   31 - HN    ALA   34   3.02 +/- 0.16  81.677% * 87.0704% (0.76   1.84   4.90) =  97.094%  kept
          HA    THR   77 - HN    LEU   80   3.94 +/- 0.28  18.318% * 11.6183% (0.34   0.56   0.56) =   2.906%  kept
          HA    LEU   31 - HN    LEU   80  15.96 +/- 0.61   0.004% *  0.8469% (0.68   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  19.78 +/- 0.63   0.001% *  0.4644% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.335, support = 2.54, residual support = 3.64:
          HA    ASP-  78 - HN    LEU   80   5.58 +/- 0.23  23.672% * 78.4762% (0.40   3.18   2.52) =  70.886%  kept
          HA    THR   23 - HN    LEU   80   4.71 +/- 0.43  62.257% * 10.8683% (0.18   1.00   6.02) =  25.818%  kept
          HA    VAL   41 - HN    ALA   34   6.39 +/- 0.46  10.364% *  8.0689% (0.17   0.75   9.33) =   3.191%  kept
          HA    PHE   45 - HN    LEU   80   7.74 +/- 0.64   3.585% *  0.7559% (0.61   0.02   0.02) =   0.103%
          HA    PHE   45 - HN    ALA   34  17.16 +/- 0.54   0.026% *  0.8440% (0.69   0.02   0.02) =   0.001%
          HA    THR   23 - HN    ALA   34  15.11 +/- 0.42   0.058% *  0.2431% (0.20   0.02   0.02) =   0.001%
          HA    VAL   41 - HN    LEU   80  16.56 +/- 0.56   0.033% *  0.1927% (0.16   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  23.54 +/- 0.55   0.004% *  0.5508% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.38 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.711, support = 3.4, residual support = 12.2:
          HB2   ASP-  76 - HN    LEU   80   3.99 +/- 0.42  72.550% * 27.2794% (0.75   2.85   3.72) =  68.025%  kept
          QE    LYS+  33 - HN    ALA   34   5.18 +/- 0.61  18.447% * 34.5797% (0.52   5.14  42.87) =  21.926%  kept
          HB2   ASP-  78 - HN    LEU   80   5.90 +/- 0.28   7.941% * 36.8044% (0.88   3.28   2.52) =  10.046%  kept
          HB2   ASN   28 - HN    ALA   34   9.65 +/- 0.35   0.387% *  0.1051% (0.41   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    ALA   34  12.12 +/- 1.44   0.145% *  0.1857% (0.72   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    LEU   80   9.79 +/- 0.40   0.371% *  0.0310% (0.12   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    LEU   80  12.26 +/- 0.69   0.102% *  0.0942% (0.37   0.02   1.46) =   0.000%
          QE    LYS+  33 - HN    LEU   80  16.69 +/- 1.44   0.016% *  0.1205% (0.47   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  18.48 +/- 0.73   0.008% *  0.2136% (0.83   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  18.56 +/- 1.41   0.009% *  0.0711% (0.28   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  17.04 +/- 1.41   0.016% *  0.0346% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  23.21 +/- 0.66   0.002% *  0.2507% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  20.51 +/- 2.17   0.005% *  0.0637% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  25.52 +/- 0.73   0.001% *  0.1663% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1306 (2.33, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.435, support = 5.33, residual support = 48.2:
          HB2   GLU-  79 - HN    LEU   80   2.40 +/- 0.58  99.375% * 94.4870% (0.44   5.33  48.19) =  99.998%  kept
          HG3   GLU-  36 - HN    ALA   34   6.85 +/- 0.49   0.578% *  0.2776% (0.34   0.02   0.02) =   0.002%
          HG3   GLU-  25 - HN    LEU   80  10.98 +/- 1.02   0.031% *  0.7146% (0.88   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  15.42 +/- 0.67   0.003% *  0.7978% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  15.39 +/- 1.89   0.004% *  0.6324% (0.78   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  14.04 +/- 1.06   0.006% *  0.2487% (0.30   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  18.83 +/- 0.83   0.001% *  0.3962% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  20.27 +/- 1.82   0.001% *  0.2997% (0.37   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  22.39 +/- 1.73   0.000% *  0.3346% (0.41   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  21.68 +/- 1.09   0.000% *  0.2736% (0.34   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  27.05 +/- 1.50   0.000% *  0.7060% (0.87   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  24.40 +/- 1.03   0.000% *  0.3055% (0.37   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  24.00 +/- 0.83   0.000% *  0.2487% (0.30   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  25.78 +/- 1.60   0.000% *  0.2776% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 5.41, residual support = 47.0:
          HB3   GLU-  79 - HN    LEU   80   2.97 +/- 0.60  86.112% * 68.5371% (0.78   5.49  48.19) =  97.559%  kept
          QB    GLU-  36 - HN    ALA   34   5.19 +/- 0.26   4.659% * 21.8582% (0.80   1.70   0.02) =   1.684%  kept
          QB    GLN   32 - HN    ALA   34   4.95 +/- 0.13   5.681% *  8.0229% (0.17   2.85   0.02) =   0.753%  kept
          HB    VAL   24 - HN    LEU   80   5.74 +/- 0.88   2.893% *  0.0640% (0.20   0.02  10.18) =   0.003%
          HB3   GLU-  29 - HN    ALA   34   8.04 +/- 0.46   0.325% *  0.1563% (0.49   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    ALA   34   9.74 +/- 1.70   0.164% *  0.1563% (0.49   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  11.15 +/- 0.90   0.052% *  0.0888% (0.28   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   34  10.22 +/- 0.45   0.077% *  0.0562% (0.17   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  15.23 +/- 0.72   0.007% *  0.1400% (0.44   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    ALA   34  14.59 +/- 0.46   0.009% *  0.0715% (0.22   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  13.86 +/- 0.67   0.012% *  0.0504% (0.16   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  19.35 +/- 0.98   0.001% *  0.2785% (0.87   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  20.75 +/- 0.66   0.001% *  0.2303% (0.72   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    LEU   80  16.09 +/- 0.56   0.005% *  0.0504% (0.16   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    LEU   80  23.72 +/- 1.09   0.000% *  0.1400% (0.44   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  25.82 +/- 0.89   0.000% *  0.0991% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.271, residual support = 0.541:
          QG1   VAL   75 - HN    LEU   80   4.01 +/- 0.69  99.861% * 78.6556% (0.68   0.27   0.54) =  99.988%  kept
          QG1   VAL   75 - HN    ALA   34  13.21 +/- 0.68   0.102% *  6.4881% (0.76   0.02   0.02) =   0.008%
          QD1   LEU  115 - HN    LEU   80  17.22 +/- 1.79   0.024% *  7.0194% (0.82   0.02   0.02) =   0.002%
          QD1   LEU  115 - HN    ALA   34  19.49 +/- 2.17   0.014% *  7.8370% (0.92   0.02   0.02) =   0.001%
    Distance limit 4.54 A violated in 0 structures by 0.06 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 = 0.244, support = 6.91, residual support = 77.9:
          QD1   LEU   80 - HN    LEU   80   2.40 +/- 0.73  81.533% * 26.2907% (0.18   7.07  78.25) =  69.260%  kept
          QD2   LEU   80 - HN    LEU   80   3.50 +/- 0.43  16.653% * 56.2069% (0.40   6.67  78.25) =  30.242%  kept
          QG2   VAL   41 - HN    ALA   34   5.14 +/- 0.62   1.060% * 14.3171% (0.34   2.00   9.33) =   0.490%
          QD1   LEU   73 - HN    ALA   34   5.69 +/- 0.56   0.605% *  0.3506% (0.83   0.02   0.02) =   0.007%
          QD1   LEU   73 - HN    LEU   80  10.33 +/- 0.58   0.022% *  0.3140% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ALA   34   8.20 +/- 0.86   0.083% *  0.0831% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  12.05 +/- 0.82   0.008% *  0.1882% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  14.13 +/- 2.39   0.004% *  0.3764% (0.89   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  14.67 +/- 2.18   0.003% *  0.3506% (0.83   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  11.73 +/- 0.98   0.008% *  0.1047% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   80  12.70 +/- 0.98   0.007% *  0.1282% (0.30   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  16.20 +/- 1.75   0.002% *  0.3140% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   80  12.45 +/- 1.43   0.007% *  0.0744% (0.18   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   34  13.43 +/- 0.93   0.004% *  0.0831% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  17.58 +/- 1.76   0.001% *  0.3371% (0.80   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  17.58 +/- 2.11   0.001% *  0.1830% (0.44   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  18.72 +/- 2.18   0.000% *  0.2043% (0.49   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  19.46 +/- 0.94   0.000% *  0.0937% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.684, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  19.36 +/- 4.05  22.123% * 31.5414% (1.00   0.02   0.02) =  49.423%  kept
          HB3   LEU  104 - HN    ALA   34  15.28 +/- 1.36  56.095% *  7.0378% (0.22   0.02   0.02) =  27.961%  kept
          HG3   LYS+ 121 - HN    ALA   34  21.22 +/- 2.83   9.914% * 14.1725% (0.45   0.02   0.02) =   9.952%  kept
          QD2   LEU  123 - HN    LEU   80  23.83 +/- 1.99   4.030% * 28.2508% (0.89   0.02   0.02) =   8.064%  kept
          HB3   LEU  104 - HN    LEU   80  22.61 +/- 1.06   5.403% *  6.3036% (0.20   0.02   0.02) =   2.412%  kept
          HG3   LYS+ 121 - HN    LEU   80  26.39 +/- 2.06   2.433% * 12.6939% (0.40   0.02   0.02) =   2.188%  kept
    Distance limit 4.36 A violated in 20 structures by 9.38 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.743, support = 5.9, residual support = 42.7:
          QB    LYS+  33 - HN    ALA   34   2.83 +/- 0.17  96.226% * 49.2343% (0.74   5.92  42.87) =  98.369%  kept
          QB    LYS+  81 - HN    LEU   80   5.64 +/- 0.16   1.650% * 47.4913% (0.94   4.48  30.99) =   1.627%  kept
          HB3   GLN   30 - HN    ALA   34   5.80 +/- 0.72   1.947% *  0.0723% (0.32   0.02   0.45) =   0.003%
          HB3   LYS+  38 - HN    ALA   34   8.94 +/- 0.15   0.102% *  0.1066% (0.47   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  11.52 +/- 0.89   0.027% *  0.2084% (0.93   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  12.94 +/- 0.88   0.011% *  0.0874% (0.39   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  15.70 +/- 1.29   0.004% *  0.2126% (0.95   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.55 +/- 1.24   0.004% *  0.1407% (0.63   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  16.43 +/- 0.94   0.003% *  0.1758% (0.78   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  13.98 +/- 1.35   0.009% *  0.0591% (0.26   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  16.25 +/- 1.61   0.004% *  0.1343% (0.60   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  16.86 +/- 0.77   0.002% *  0.2011% (0.89   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  17.09 +/- 1.25   0.002% *  0.1525% (0.68   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  18.12 +/- 1.66   0.002% *  0.1776% (0.79   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  18.86 +/- 1.55   0.001% *  0.1625% (0.72   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  18.83 +/- 1.28   0.001% *  0.1702% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  20.30 +/- 0.77   0.001% *  0.1754% (0.78   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  21.26 +/- 1.41   0.001% *  0.1844% (0.82   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  24.48 +/- 1.72   0.000% *  0.1343% (0.60   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  25.57 +/- 0.98   0.000% *  0.1723% (0.77   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  25.91 +/- 1.77   0.000% *  0.1625% (0.72   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  25.77 +/- 0.71   0.000% *  0.1289% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  21.46 +/- 1.25   0.001% *  0.0328% (0.15   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  27.66 +/- 1.49   0.000% *  0.1468% (0.65   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  25.24 +/- 1.39   0.000% *  0.0489% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  24.76 +/- 0.87   0.000% *  0.0271% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 3.71, residual support = 25.5:
      O   QB    ALA   34 - HN    ALA   34   2.00 +/- 0.08  99.259% * 98.3406% (0.24  10.0   3.71  25.47) =  99.998%  kept
          QG2   THR   23 - HN    LEU   80   5.70 +/- 0.95   0.445% *  0.2493% (0.61   1.0   0.02   6.02) =   0.001%
          QG2   THR   77 - HN    LEU   80   5.40 +/- 0.19   0.267% *  0.3086% (0.76   1.0   0.02   0.56) =   0.001%
          HG2   LYS+  38 - HN    ALA   34   8.17 +/- 0.32   0.022% *  0.0492% (0.12   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LEU   80  11.83 +/- 0.57   0.002% *  0.1584% (0.39   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  13.23 +/- 0.84   0.001% *  0.2061% (0.51   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  16.85 +/- 0.55   0.000% *  0.2551% (0.63   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  15.22 +/- 0.53   0.001% *  0.1189% (0.29   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.85 +/- 2.04   0.001% *  0.0675% (0.17   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  19.74 +/- 1.20   0.000% *  0.1310% (0.32   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  19.75 +/- 1.65   0.000% *  0.0558% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  25.45 +/- 0.82   0.000% *  0.0595% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.43, 8.09, 121.65 ppm):
    28 chemical-shift based assignments, quality = 0.38, support = 6.24, residual support = 78.3:
      O   HB2   LEU   80 - HN    LEU   80   2.48 +/- 0.43  75.930% * 49.0521% (0.26  10.0   6.05  78.25) =  76.241%  kept
          HG    LEU   80 - HN    LEU   80   3.52 +/- 0.85  23.943% * 48.4757% (0.76   1.0   6.86  78.25) =  23.758%  kept
          HG    LEU   73 - HN    ALA   34   7.95 +/- 0.62   0.060% *  0.1218% (0.65   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   34  11.97 +/- 2.30   0.009% *  0.1002% (0.54   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   34  10.13 +/- 1.12   0.014% *  0.0498% (0.27   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   80  12.74 +/- 0.72   0.004% *  0.1474% (0.79   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   80   9.27 +/- 0.55   0.022% *  0.0272% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   34  13.97 +/- 1.51   0.002% *  0.1455% (0.78   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   80  15.25 +/- 1.02   0.002% *  0.1669% (0.89   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   34  14.43 +/- 1.45   0.002% *  0.1059% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   34  15.63 +/- 0.92   0.002% *  0.1168% (0.63   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   80  15.72 +/- 1.13   0.001% *  0.1212% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA   34  16.64 +/- 0.62   0.001% *  0.1380% (0.74   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   80  17.34 +/- 2.32   0.001% *  0.1348% (0.72   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   34  15.05 +/- 2.34   0.002% *  0.0364% (0.20   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA   34  18.22 +/- 1.58   0.000% *  0.1408% (0.75   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  16.55 +/- 0.71   0.001% *  0.0406% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  14.42 +/- 0.82   0.002% *  0.0225% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  20.21 +/- 1.54   0.000% *  0.0602% (0.32   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   80  22.77 +/- 1.50   0.000% *  0.1760% (0.94   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   80  22.32 +/- 1.87   0.000% *  0.1281% (0.69   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   80  22.96 +/- 1.27   0.000% *  0.1703% (0.91   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  19.95 +/- 1.04   0.000% *  0.0602% (0.32   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   34  22.67 +/- 2.07   0.000% *  0.1115% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  22.41 +/- 1.71   0.000% *  0.0498% (0.27   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  23.14 +/- 1.61   0.000% *  0.0440% (0.24   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  21.45 +/- 3.26   0.000% *  0.0255% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  25.99 +/- 2.39   0.000% *  0.0309% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.738, support = 0.768, residual support = 8.67:
          QG1   VAL   41 - HN    ALA   34   4.60 +/- 0.62  61.211% * 48.8027% (0.78   0.75   9.33) =  85.809%  kept
          HG    LEU   31 - HN    ALA   34   6.09 +/- 0.33  12.236% * 38.6748% (0.51   0.92   4.90) =  13.593%  kept
          QD2   LEU   73 - HN    ALA   34   6.20 +/- 0.94  14.853% *  0.6349% (0.38   0.02   0.02) =   0.271%
          QG2   THR   46 - HN    LEU   80   6.89 +/- 0.91   7.368% *  0.9568% (0.57   0.02   0.02) =   0.202%
          QG1   VAL   43 - HN    LEU   80   9.52 +/- 0.97   1.097% *  1.4562% (0.87   0.02   0.02) =   0.046%
          QG1   VAL   43 - HN    ALA   34   9.07 +/- 0.97   1.217% *  1.2040% (0.72   0.02   0.02) =   0.042%
          QD1   ILE   19 - HN    ALA   34  10.13 +/- 1.31   0.818% *  0.3626% (0.22   0.02   0.02) =   0.009%
          QG2   VAL   18 - HN    LEU   80  12.17 +/- 1.42   0.239% *  1.1455% (0.69   0.02   0.02) =   0.008%
          QD2   LEU   73 - HN    LEU   80  11.37 +/- 0.39   0.289% *  0.7679% (0.46   0.02   0.02) =   0.006%
          QG2   VAL   18 - HN    ALA   34  13.26 +/- 0.93   0.125% *  0.9471% (0.57   0.02   0.02) =   0.003%
          QG1   VAL   41 - HN    LEU   80  14.38 +/- 0.75   0.070% *  1.5740% (0.94   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    LEU   80  13.67 +/- 0.94   0.099% *  1.0205% (0.61   0.02   0.02) =   0.003%
          QD1   ILE   19 - HN    LEU   80  13.48 +/- 1.46   0.104% *  0.4386% (0.26   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    ALA   34  12.23 +/- 1.17   0.177% *  0.2284% (0.14   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ALA   34  16.34 +/- 0.76   0.032% *  0.7911% (0.47   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LEU   80  16.04 +/- 1.66   0.044% *  0.3934% (0.24   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   80  19.24 +/- 1.13   0.013% *  0.2763% (0.17   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    ALA   34  20.23 +/- 1.30   0.009% *  0.3252% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.848, support = 6.67, residual support = 78.2:
          QD2   LEU   80 - HN    LEU   80   3.50 +/- 0.43  86.038% * 97.2243% (0.85   6.67  78.25) =  99.972%  kept
          QD1   LEU   73 - HN    ALA   34   5.69 +/- 0.56   6.100% *  0.2635% (0.77   0.02   0.02) =   0.019%
          QG1   VAL   83 - HN    LEU   80   5.54 +/- 0.48   7.394% *  0.0811% (0.24   0.02   0.02) =   0.007%
          QD1   LEU   73 - HN    LEU   80  10.33 +/- 0.58   0.156% *  0.3186% (0.93   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    ALA   34  12.05 +/- 0.82   0.068% *  0.2410% (0.70   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  11.73 +/- 0.98   0.081% *  0.1846% (0.54   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  14.67 +/- 2.18   0.030% *  0.2635% (0.77   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  14.13 +/- 2.39   0.035% *  0.1205% (0.35   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   34  12.27 +/- 0.82   0.061% *  0.0670% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  16.20 +/- 1.75   0.012% *  0.3186% (0.93   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  17.58 +/- 2.11   0.008% *  0.3001% (0.87   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  18.72 +/- 2.18   0.006% *  0.2481% (0.72   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  17.58 +/- 1.76   0.007% *  0.1457% (0.42   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  19.46 +/- 0.94   0.003% *  0.2233% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1316 (0.46, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 0.271, residual support = 0.541:
          QG1   VAL   75 - HN    LEU   80   4.01 +/- 0.69  99.861% * 87.2092% (0.46   0.27   0.54) =  99.992%  kept
          QG1   VAL   75 - HN    ALA   34  13.21 +/- 0.68   0.102% *  5.3273% (0.38   0.02   0.02) =   0.006%
          QD1   LEU  115 - HN    LEU   80  17.22 +/- 1.79   0.024% *  4.0856% (0.29   0.02   0.02) =   0.001%
          QD1   LEU  115 - HN    ALA   34  19.49 +/- 2.17   0.014% *  3.3780% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.35 A violated in 0 structures by 0.13 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 = 3.5, residual support = 25.4:
      O   HA    ALA   34 - HN    ALA   34   2.76 +/- 0.01  96.210% * 89.0678% (0.63  10.0   3.51  25.47) =  99.672%  kept
          HA    LYS+  81 - HN    LEU   80   4.95 +/- 0.15   2.934% *  9.5901% (0.29   1.0   4.62  30.99) =   0.327%
          HA    ASN   28 - HN    ALA   34   7.81 +/- 0.26   0.191% *  0.1052% (0.74   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34  10.30 +/- 2.41   0.173% *  0.0675% (0.47   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   34   6.86 +/- 0.05   0.410% *  0.0248% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  12.28 +/- 0.49   0.013% *  0.1273% (0.89   1.0   0.02   1.46) =   0.000%
          HA    THR   26 - HN    ALA   34  10.02 +/- 0.61   0.045% *  0.0195% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  11.61 +/- 0.62   0.018% *  0.0236% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   80  17.47 +/- 1.21   0.002% *  0.1124% (0.79   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  20.13 +/- 3.23   0.001% *  0.0816% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  20.07 +/- 0.62   0.001% *  0.1077% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  21.10 +/- 1.18   0.001% *  0.1242% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  22.78 +/- 5.95   0.001% *  0.0808% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.10 +/- 1.62   0.000% *  0.1027% (0.72   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  21.32 +/- 0.82   0.000% *  0.0343% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  26.04 +/- 1.22   0.000% *  0.0929% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  24.74 +/- 1.15   0.000% *  0.0603% (0.42   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.59 +/- 1.56   0.000% *  0.0499% (0.35   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  24.62 +/- 0.63   0.000% *  0.0300% (0.21   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  31.34 +/- 2.55   0.000% *  0.0977% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.588, support = 1.79, residual support = 4.73:
          HA    LEU   31 - HN    ALA   34   3.02 +/- 0.16  81.677% * 83.4270% (0.60   1.84   4.90) =  96.116%  kept
          HA    THR   77 - HN    LEU   80   3.94 +/- 0.28  18.318% * 15.0322% (0.36   0.56   0.56) =   3.884%  kept
          HA    LEU   31 - HN    LEU   80  15.96 +/- 0.61   0.004% *  1.0958% (0.72   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  19.78 +/- 0.63   0.001% *  0.4449% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.623, support = 3.55, residual support = 14.7:
          HB2   ASP-  76 - HN    LEU   80   3.99 +/- 0.42  72.550% * 20.8337% (0.57   2.85   3.72) =  59.491%  kept
          QE    LYS+  33 - HN    ALA   34   5.18 +/- 0.61  18.447% * 39.1221% (0.60   5.14  42.87) =  28.405%  kept
          HB2   ASP-  78 - HN    LEU   80   5.90 +/- 0.28   7.941% * 38.7085% (0.93   3.28   2.52) =  12.099%  kept
          HB2   ASN   28 - HN    ALA   34   9.65 +/- 0.35   0.387% *  0.1289% (0.51   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    LEU   80   9.79 +/- 0.40   0.371% *  0.0670% (0.26   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    LEU   80  12.26 +/- 0.69   0.102% *  0.1558% (0.61   0.02   1.46) =   0.001%
          HB2   ASN   69 - HN    ALA   34  12.12 +/- 1.44   0.145% *  0.0970% (0.38   0.02   0.02) =   0.001%
          QE    LYS+  33 - HN    LEU   80  16.69 +/- 1.44   0.016% *  0.1841% (0.72   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  18.48 +/- 0.73   0.008% *  0.1208% (0.47   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  18.56 +/- 1.41   0.009% *  0.0970% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  17.04 +/- 1.41   0.016% *  0.0554% (0.22   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  20.51 +/- 2.17   0.005% *  0.1173% (0.46   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  23.21 +/- 0.66   0.002% *  0.1952% (0.77   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  25.52 +/- 0.73   0.001% *  0.1173% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1320 (2.33, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.46, support = 5.33, residual support = 48.2:
          HB2   GLU-  79 - HN    LEU   80   2.40 +/- 0.58  99.375% * 95.2520% (0.46   5.33  48.19) =  99.998%  kept
          HG3   GLU-  36 - HN    ALA   34   6.85 +/- 0.49   0.578% *  0.2073% (0.27   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HN    LEU   80  10.98 +/- 1.02   0.031% *  0.7204% (0.93   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  15.39 +/- 1.89   0.004% *  0.6375% (0.82   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  15.42 +/- 0.67   0.003% *  0.5956% (0.77   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  14.04 +/- 1.06   0.006% *  0.2507% (0.32   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  20.27 +/- 1.82   0.001% *  0.3021% (0.39   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  18.83 +/- 0.83   0.001% *  0.2958% (0.38   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  21.68 +/- 1.09   0.000% *  0.2758% (0.36   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  22.39 +/- 1.73   0.000% *  0.2498% (0.32   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  27.05 +/- 1.50   0.000% *  0.5271% (0.68   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  24.00 +/- 0.83   0.000% *  0.2507% (0.32   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  24.40 +/- 1.03   0.000% *  0.2281% (0.29   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  25.78 +/- 1.60   0.000% *  0.2073% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.773, support = 6.8, residual support = 42.2:
      O   HA    LYS+  33 - HN    ALA   34   3.61 +/- 0.02  75.963% * 92.2998% (0.78  10.0   6.83  42.87) =  98.368%  kept
          HA    GLN   32 - HN    ALA   34   4.60 +/- 0.21  18.165% *  6.3840% (0.22   1.0   4.98   0.02) =   1.627%  kept
          HB2   SER   82 - HN    LEU   80   7.11 +/- 0.70   1.526% *  0.1001% (0.85   1.0   0.02   0.17) =   0.002%
          HA    GLU-  29 - HN    ALA   34   7.20 +/- 0.36   1.258% *  0.0891% (0.75   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    ALA   34   6.45 +/- 0.36   2.523% *  0.0205% (0.17   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    ALA   34   9.77 +/- 1.03   0.235% *  0.0801% (0.68   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   80  10.56 +/- 1.46   0.175% *  0.0587% (0.50   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  13.23 +/- 1.02   0.035% *  0.0873% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  12.10 +/- 0.64   0.057% *  0.0345% (0.29   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  15.25 +/- 0.98   0.014% *  0.1056% (0.89   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  15.26 +/- 0.53   0.014% *  0.1077% (0.91   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  19.17 +/- 1.34   0.004% *  0.0828% (0.70   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  15.16 +/- 1.56   0.017% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  20.53 +/- 0.72   0.002% *  0.1116% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  21.00 +/- 0.57   0.002% *  0.0968% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  18.96 +/- 0.57   0.004% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  24.03 +/- 1.73   0.001% *  0.0968% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  23.61 +/- 2.25   0.001% *  0.0801% (0.68   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  22.98 +/- 1.30   0.001% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.35 +/- 1.05   0.001% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  23.65 +/- 0.91   0.001% *  0.0249% (0.21   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  27.28 +/- 1.19   0.000% *  0.0142% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 0.333, support = 0.02, residual support = 0.261:
          HN    GLN   30 - HN    ALA   34   6.27 +/- 0.30  77.443% *  3.3143% (0.17  1.00   0.02   0.45) =  56.194%  kept
          HN    GLU-  29 - HN    ALA   34   8.47 +/- 0.27  12.716% * 11.4785% (0.61  1.00   0.02   0.02) =  31.957%  kept
          HN    ASP-  86 - HN    LEU   80   9.43 +/- 0.27   6.874% *  3.7738% (0.20  1.00   0.02   0.02) =   5.679%  kept
          HN    GLU-  29 - HN    LEU   80  12.59 +/- 0.53   1.250% * 10.2810% (0.54  1.00   0.02   0.02) =   2.813%  kept
          HN    VAL   18 - HN    ALA   34  15.79 +/- 1.03   0.347% * 13.7422% (0.72  1.00   0.02   0.02) =   1.044%  kept
        T HN    ASP-  86 - HN    ALA   34  19.14 +/- 1.35   0.106% * 42.1332% (0.22 10.00   0.02   0.02) =   0.979%  kept
          HN    VAL   18 - HN    LEU   80  16.65 +/- 1.12   0.250% * 12.3085% (0.65  1.00   0.02   0.02) =   0.675%  kept
          HN    GLN   30 - HN    LEU   80  13.05 +/- 0.57   1.013% *  2.9685% (0.16  1.00   0.02   0.02) =   0.658%  kept
    Distance limit 3.71 A violated in 20 structures by 2.29 A, eliminated.
    Peak unassigned.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.242, support = 0.02, residual support = 0.241:
          HN    GLN   30 - HN    ALA   34   6.27 +/- 0.30  77.443% *  2.6057% (0.11  1.00   0.02   0.45) =  51.643%  kept
          HN    GLU-  29 - HN    ALA   34   8.47 +/- 0.27  12.716% * 10.1298% (0.41  1.00   0.02   0.02) =  32.966%  kept
          HN    ASP-  86 - HN    LEU   80   9.43 +/- 0.27   6.874% *  4.0782% (0.17  1.00   0.02   0.02) =   7.174%  kept
          HN    GLU-  29 - HN    LEU   80  12.59 +/- 0.53   1.250% * 12.2517% (0.50  1.00   0.02   0.02) =   3.919%  kept
          HN    VAL   18 - HN    ALA   34  15.79 +/- 1.03   0.347% * 15.4172% (0.63  1.00   0.02   0.02) =   1.370%  kept
          HN    VAL   18 - HN    LEU   80  16.65 +/- 1.12   0.250% * 18.6466% (0.76  1.00   0.02   0.02) =   1.195%  kept
        T HN    ASP-  86 - HN    ALA   34  19.14 +/- 1.35   0.106% * 33.7193% (0.14 10.00   0.02   0.02) =   0.915%  kept
          HN    GLN   30 - HN    LEU   80  13.05 +/- 0.57   1.013% *  3.1515% (0.13  1.00   0.02   0.02) =   0.817%  kept
    Distance limit 3.69 A violated in 20 structures by 2.32 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   2.71 +/- 0.02  99.989% * 98.3004% (0.54 10.00   4.04  18.77) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  20.13 +/- 0.63   0.001% *  1.1889% (0.65 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  17.52 +/- 2.99   0.003% *  0.1428% (0.78  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.29 +/- 0.84   0.005% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  16.73 +/- 1.05   0.002% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  25.96 +/- 3.21   0.000% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  22.35 +/- 1.26   0.000% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  24.53 +/- 1.34   0.000% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 5.14, residual support = 31.0:
          HN    LYS+  81 - HN    LEU   80   3.65 +/- 0.19  97.827% * 98.6471% (0.94   5.14  30.99) =  99.999%  kept
          HE3   TRP   27 - HN    LEU   80   8.31 +/- 1.79   1.581% *  0.0598% (0.15   0.02  14.10) =   0.001%
          HE3   TRP   27 - HN    ALA   34  10.27 +/- 2.07   0.511% *  0.0494% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    LEU   80  13.37 +/- 0.74   0.044% *  0.3476% (0.85   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  14.99 +/- 1.00   0.024% *  0.2874% (0.70   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  17.90 +/- 1.34   0.009% *  0.1317% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  20.38 +/- 0.79   0.004% *  0.3176% (0.78   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  22.87 +/- 0.72   0.002% *  0.1593% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   1103
      with diagonal assignment               :    129
      without assignment possibility         :      2
      with one assignment possibility        :     47
      with multiple assignment possibilities :    925
      with given assignment possibilities    :      0
      with unique volume contribution        :    663
      with multiple volume contributions     :    309
      eliminated by violation filter         :     38
 
    Peaks:
      selected                               :   1103
      without assignment                     :     55
      with assignment                        :   1048
      with unique assignment                 :    762
      with multiple assignment               :    286
      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             :    919
 
    Atoms with eliminated volume contribution > 2.5:
    HN    ALA   34       2.6
    HN    ASP-  62       2.8
 
    Peak 1 (4.29, 4.29, 56.56 ppm):
    2 diagonal assignments:
    *     HA    MET   11 - HA    MET   11  (1.00)  kept
          HA    GLU-  14 - HA    GLU-  14  (0.16)  kept
 
    Peak 4 (2.08, 4.29, 56.56 ppm):
    16 chemical-shift based assignments, quality = 0.542, support = 3.22, residual support = 47.0:
      O T HB2   GLU-  14 - HA    GLU-  14   2.70 +/- 0.17  88.351% * 27.7351% (0.39  10.0 10.00   2.96  48.15) =  75.216%  kept
    * O T HG2   MET   11 - HA    MET   11   3.91 +/- 0.34  11.397% * 70.8328% (1.00  10.0 10.00   4.00  43.63) =  24.781%  kept
        T HB2   GLU-  14 - HA    MET   11   9.95 +/- 1.64   0.090% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   MET   11 - HA    GLU-  14   9.89 +/- 1.69   0.143% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    GLU-  14  13.77 +/- 3.45   0.017% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  19.61 +/- 3.82   0.001% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  21.45 +/- 1.20   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  24.93 +/- 2.45   0.000% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  29.41 +/- 3.33   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  32.67 +/- 4.08   0.000% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  23.50 +/- 2.26   0.000% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  30.26 +/- 3.87   0.000% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  28.65 +/- 2.61   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  35.72 +/- 4.38   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  34.86 +/- 4.06   0.000% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  28.78 +/- 2.10   0.000% *  0.0038% (0.05   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 5 (1.92, 4.29, 56.56 ppm):
    14 chemical-shift based assignments, quality = 0.715, support = 3.53, residual support = 45.7:
    * O T HG3   MET   11 - HA    MET   11   3.37 +/- 0.58  30.825% * 72.0852% (1.00  10.0 10.00   4.00  43.63) =  54.614%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.81 +/- 0.23  69.004% * 26.7596% (0.37  10.0 10.00   2.96  48.15) =  45.385%  kept
        T HB3   GLU-  14 - HA    MET   11  10.21 +/- 1.47   0.059% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   MET   11 - HA    GLU-  14  10.02 +/- 1.65   0.098% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    GLU-  14  15.19 +/- 2.45   0.007% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  18.82 +/- 3.31   0.003% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  18.57 +/- 3.28   0.001% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  23.28 +/- 3.49   0.001% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  19.37 +/- 1.16   0.001% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.40 +/- 1.90   0.000% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  27.46 +/- 3.16   0.000% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  27.98 +/- 2.87   0.000% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  28.89 +/- 2.17   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  35.34 +/- 3.35   0.000% *  0.0200% (0.28   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 6 (4.29, 2.08, 30.22 ppm):
    36 chemical-shift based assignments, quality = 0.54, support = 3.43, residual support = 45.7:
      O T HA    GLU-  14 - HB2   GLU-  14   2.70 +/- 0.17  81.574% * 12.3448% (0.15  10.0 10.00   2.96  48.15) =  53.767%  kept
    * O T HA    MET   11 - HG2   MET   11   3.91 +/- 0.34  10.544% * 80.1859% (1.00  10.0 10.00   4.00  43.63) =  45.142%  kept
          HA    ALA   12 - HG2   MET   11   4.88 +/- 0.80   3.386% *  6.0081% (0.53   1.0  1.00   2.85  12.20) =   1.086%  kept
        T HA    GLU-  14 - HG2   MET   11   9.89 +/- 1.69   0.131% *  0.3297% (0.41   1.0 10.00   0.02   0.02) =   0.002%
        T HA    MET   11 - HB2   GLU-  14   9.95 +/- 1.64   0.083% *  0.3003% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   12 - HB2   GLU-  14   6.76 +/- 1.41   0.900% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   ARG+  54   5.54 +/- 1.08   3.114% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  20.77 +/- 4.32   0.009% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   7.40 +/- 0.69   0.243% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  17.18 +/- 3.19   0.004% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  18.71 +/- 2.03   0.001% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.41 +/- 0.80   0.004% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.81 +/- 1.46   0.003% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  26.35 +/- 3.17   0.000% *  0.0800% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  24.93 +/- 2.45   0.000% *  0.0319% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  24.53 +/- 2.50   0.000% *  0.0277% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  19.09 +/- 2.20   0.001% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  30.19 +/- 3.81   0.000% *  0.0740% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  22.99 +/- 2.26   0.000% *  0.0170% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  29.64 +/- 4.47   0.000% *  0.0454% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  25.08 +/- 2.05   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  32.49 +/- 3.80   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  32.67 +/- 4.08   0.000% *  0.0775% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  19.90 +/- 1.83   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  23.29 +/- 1.73   0.000% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  27.17 +/- 3.57   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  36.89 +/- 3.92   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  30.28 +/- 2.10   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  27.42 +/- 2.99   0.000% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  35.21 +/- 4.18   0.000% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  24.83 +/- 0.84   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  35.52 +/- 4.56   0.000% *  0.0301% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  29.17 +/- 2.28   0.000% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  25.77 +/- 1.65   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  29.77 +/- 3.44   0.000% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  28.61 +/- 1.00   0.000% *  0.0038% (0.05   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 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.883, support = 3.29, residual support = 44.3:
    * O T QB    MET   11 - HG2   MET   11   2.25 +/- 0.12  54.451% * 80.4450% (1.00  10.0 10.00   3.31  43.63) =  85.098%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.33 +/- 0.15  44.967% * 17.0553% (0.21  10.0 10.00   3.17  48.15) =  14.899%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.59 +/- 0.73   0.412% *  0.2188% (0.27   1.0 10.00   0.02   1.18) =   0.002%
        T QG    GLU-  14 - HG2   MET   11   9.51 +/- 2.21   0.075% *  0.4554% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T QG    GLU-  15 - HG2   MET   11  11.15 +/- 2.34   0.054% *  0.5842% (0.73   1.0 10.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HB2   GLU-  14   8.95 +/- 1.53   0.022% *  0.3012% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   MET   11  18.32 +/- 4.21   0.000% *  0.3019% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  11.78 +/- 1.86   0.005% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   GLU-  14  17.14 +/- 3.49   0.001% *  0.1131% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  12.07 +/- 2.02   0.009% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  16.23 +/- 1.91   0.001% *  0.0183% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  19.42 +/- 2.86   0.000% *  0.0392% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.20 +/- 1.28   0.001% *  0.0120% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  13.95 +/- 1.23   0.001% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  21.54 +/- 2.78   0.000% *  0.0440% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  21.71 +/- 1.87   0.000% *  0.0565% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  14.18 +/- 1.46   0.001% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  24.11 +/- 3.04   0.000% *  0.0488% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  29.33 +/- 3.71   0.000% *  0.0778% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  17.36 +/- 1.32   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  17.66 +/- 1.62   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  20.50 +/- 2.13   0.000% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  27.32 +/- 4.24   0.000% *  0.0201% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  21.65 +/- 2.26   0.000% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  18.68 +/- 1.95   0.000% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  25.34 +/- 1.96   0.000% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  27.05 +/- 2.42   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  28.49 +/- 3.40   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  31.77 +/- 3.45   0.000% *  0.0248% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  33.37 +/- 3.25   0.000% *  0.0331% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  28.14 +/- 2.67   0.000% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  34.16 +/- 1.75   0.000% *  0.0292% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  35.93 +/- 3.45   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 = 44.8:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  49.990% * 72.5786% (1.00  10.0 10.00   4.00  43.63) =  73.842%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  49.991% * 25.7103% (0.35  10.0 10.00   3.00  48.15) =  26.158%  kept
        T HB3   GLU-  14 - HG2   MET   11  10.35 +/- 2.14   0.005% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   GLU-  14   9.96 +/- 2.22   0.008% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54   9.32 +/- 1.25   0.003% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  12.67 +/- 1.98   0.002% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  19.38 +/- 1.82   0.000% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  23.73 +/- 4.29   0.000% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  18.93 +/- 3.34   0.000% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG2   MET   11  27.13 +/- 3.02   0.000% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  14.35 +/- 2.21   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  19.82 +/- 3.54   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  24.30 +/- 2.79   0.000% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  21.81 +/- 2.02   0.000% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  18.42 +/- 1.01   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  28.72 +/- 3.22   0.000% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  32.64 +/- 4.39   0.000% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  24.45 +/- 1.55   0.000% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  28.17 +/- 2.27   0.000% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  35.88 +/- 3.49   0.000% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  25.88 +/- 0.94   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 = 0.792, support = 3.74, residual support = 44.3:
    * O T HA    MET   11 - HG3   MET   11   3.37 +/- 0.58  29.355% * 80.7765% (1.00  10.0 10.00   4.00  43.63) =  75.101%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.81 +/- 0.23  63.075% * 11.7899% (0.15  10.0 10.00   2.96  48.15) =  23.553%  kept
          HA    ALA   12 - HG3   MET   11   4.55 +/- 0.92   6.906% *  6.1483% (0.53   1.0  1.00   2.89  12.20) =   1.345%  kept
        T HA    GLU-  14 - HG3   MET   11  10.02 +/- 1.65   0.089% *  0.3321% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HA    MET   11 - HB3   GLU-  14  10.21 +/- 1.47   0.054% *  0.2868% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   GLU-  14   7.10 +/- 1.25   0.507% *  0.0151% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  14  16.52 +/- 3.44   0.008% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  20.71 +/- 3.90   0.003% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  18.31 +/- 1.59   0.001% *  0.0286% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  26.22 +/- 3.23   0.000% *  0.0806% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  23.97 +/- 2.38   0.000% *  0.0265% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  29.22 +/- 4.42   0.000% *  0.0457% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  22.92 +/- 2.22   0.000% *  0.0162% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  30.05 +/- 3.56   0.000% *  0.0746% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  18.82 +/- 1.93   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  24.86 +/- 1.80   0.000% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  32.19 +/- 3.84   0.000% *  0.0792% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  27.19 +/- 3.79   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  36.51 +/- 3.80   0.000% *  0.0792% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  29.99 +/- 1.82   0.000% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  27.27 +/- 3.10   0.000% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  34.81 +/- 3.96   0.000% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  35.45 +/- 4.67   0.000% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  28.83 +/- 2.02   0.000% *  0.0140% (0.17   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 12 (2.29, 1.92, 30.22 ppm):
    22 chemical-shift based assignments, quality = 0.836, support = 3.27, residual support = 44.1:
    * O T QB    MET   11 - HG3   MET   11   2.50 +/- 0.10  43.909% * 67.3911% (1.00  10.0 10.00   3.31  43.63) =  79.456%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.42 +/- 0.15  53.934% * 13.5457% (0.20  10.0 10.00   3.17  48.15) =  19.617%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.32 +/- 1.09   1.984% * 17.3737% (0.26   1.0 10.00   2.18   1.18) =   0.925%  kept
        T QG    GLU-  14 - HG3   MET   11   9.52 +/- 2.12   0.082% *  0.3815% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T QG    GLU-  15 - HG3   MET   11  11.29 +/- 2.43   0.042% *  0.4894% (0.73   1.0 10.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HB3   GLU-  14   9.25 +/- 1.52   0.038% *  0.2393% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   MET   11  17.93 +/- 4.03   0.001% *  0.2529% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB3   GLU-  14  16.73 +/- 3.73   0.001% *  0.0898% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  14  11.30 +/- 1.54   0.008% *  0.0116% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  19.36 +/- 2.95   0.000% *  0.0328% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  15.85 +/- 1.54   0.001% *  0.0145% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  24.00 +/- 3.17   0.000% *  0.0409% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  20.38 +/- 2.06   0.000% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  26.93 +/- 4.21   0.000% *  0.0168% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  21.17 +/- 1.90   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  24.91 +/- 1.71   0.000% *  0.0074% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  26.79 +/- 2.09   0.000% *  0.0098% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  28.64 +/- 3.46   0.000% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  33.09 +/- 3.24   0.000% *  0.0277% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  31.84 +/- 3.47   0.000% *  0.0208% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  27.83 +/- 2.27   0.000% *  0.0090% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  35.80 +/- 3.62   0.000% *  0.0253% (0.38   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 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 44.8:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.993% * 71.8618% (1.00  10.0 10.00   4.00  43.63) =  73.842%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.994% * 25.4564% (0.35  10.0 10.00   3.00  48.15) =  26.158%  kept
        T HB2   GLU-  14 - HG3   MET   11   9.96 +/- 2.22   0.008% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   GLU-  14  10.35 +/- 2.14   0.005% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  14.19 +/- 3.36   0.001% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   MET   11  29.32 +/- 3.46   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  19.49 +/- 4.21   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  35.96 +/- 4.50   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  21.09 +/- 1.62   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  24.30 +/- 2.79   0.000% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  32.64 +/- 4.39   0.000% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  22.50 +/- 2.18   0.000% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  27.72 +/- 2.65   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  30.60 +/- 4.12   0.000% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  27.87 +/- 1.86   0.000% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  35.35 +/- 4.08   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 = 0.914, support = 3.38, residual support = 44.1:
    * O T HA    MET   11 - QB    MET   11   2.29 +/- 0.13  53.117% * 85.1002% (1.00  10.0 10.00   3.37  43.63) =  90.057%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.48 +/- 0.54  43.941% * 11.3536% (0.13  10.0 10.00   3.40  48.15) =   9.939%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.86 +/- 0.78   0.970% *  0.0843% (0.10   1.0 10.00   0.02   1.18) =   0.002%
          HA    ALA   12 - QB    MET   11   4.17 +/- 0.23   1.629% *  0.0448% (0.53   1.0  1.00   0.02  12.20) =   0.001%
        T HA    GLU-  14 - QB    MET   11   8.86 +/- 1.23   0.034% *  0.3499% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  11.16 +/- 2.11   0.056% *  0.2052% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  14   9.59 +/- 1.30   0.014% *  0.2762% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  14   6.97 +/- 0.87   0.115% *  0.0145% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   8.71 +/- 1.75   0.083% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  18.44 +/- 3.86   0.015% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.32 +/- 1.90   0.001% *  0.2047% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  16.77 +/- 1.78   0.000% *  0.2756% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  15  11.81 +/- 2.61   0.006% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36   9.94 +/- 1.24   0.011% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  23.53 +/- 2.57   0.000% *  0.8491% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  15.55 +/- 2.99   0.002% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  16.88 +/- 4.36   0.002% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - QB    MET   11  26.23 +/- 3.87   0.000% *  0.4818% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  16.91 +/- 3.10   0.001% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  19.24 +/- 2.34   0.000% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.83 +/- 3.20   0.000% *  0.0786% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  17.34 +/- 3.47   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  22.09 +/- 2.16   0.000% *  0.0255% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  16.83 +/- 2.12   0.001% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  22.53 +/- 1.92   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  16.19 +/- 1.44   0.001% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  20.79 +/- 2.06   0.000% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.53 +/- 2.24   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  19.03 +/- 0.91   0.000% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  28.89 +/- 3.21   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  21.79 +/- 2.45   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  26.54 +/- 0.91   0.000% *  0.0600% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  24.25 +/- 3.18   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  21.69 +/- 0.80   0.000% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  24.46 +/- 3.08   0.000% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  32.68 +/- 3.25   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  27.30 +/- 2.02   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  26.57 +/- 2.40   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  31.13 +/- 3.43   0.000% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  25.23 +/- 2.69   0.000% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  31.83 +/- 4.01   0.000% *  0.0319% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  26.37 +/- 2.15   0.000% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  24.62 +/- 2.01   0.000% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  24.98 +/- 1.77   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  28.14 +/- 0.81   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  28.52 +/- 1.38   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  27.45 +/- 1.58   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  35.85 +/- 1.93   0.000% *  0.0040% (0.05   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 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 = 0.856, support = 3.28, residual support = 44.6:
    * O T HG2   MET   11 - QB    MET   11   2.25 +/- 0.12  53.185% * 73.8446% (1.00  10.0 10.00   3.31  43.63) =  78.696%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.33 +/- 0.15  44.459% * 23.9110% (0.32  10.0 10.00   3.17  48.15) =  21.301%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.59 +/- 0.73   0.408% *  0.1776% (0.24   1.0 10.00   0.02   1.18) =   0.001%
        T HG2   MET   11 - QG    GLU-  14   9.51 +/- 2.21   0.075% *  0.2396% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - QB    MET   11   8.95 +/- 1.53   0.022% *  0.7368% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  15  11.15 +/- 2.34   0.054% *  0.1780% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  15   8.80 +/- 2.95   1.774% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  12.91 +/- 3.15   0.019% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HG3   GLU-  36  17.14 +/- 3.49   0.001% *  0.0918% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HG3   GLU-  36  18.32 +/- 4.21   0.000% *  0.0920% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  17.47 +/- 3.45   0.001% *  0.0205% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  21.54 +/- 2.78   0.000% *  0.0420% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  18.76 +/- 1.53   0.000% *  0.0235% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  17.81 +/- 1.08   0.000% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  21.71 +/- 1.87   0.000% *  0.0312% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  29.33 +/- 3.71   0.000% *  0.1293% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  26.33 +/- 2.87   0.000% *  0.0724% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  20.32 +/- 2.39   0.000% *  0.0099% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  19.69 +/- 1.81   0.000% *  0.0073% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  24.82 +/- 2.80   0.000% *  0.0235% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  30.55 +/- 1.70   0.000% *  0.0902% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  17.58 +/- 1.75   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  27.45 +/- 3.36   0.000% *  0.0304% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  32.27 +/- 3.82   0.000% *  0.0724% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  24.60 +/- 1.68   0.000% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  34.37 +/- 2.06   0.000% *  0.0902% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  23.24 +/- 1.86   0.000% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  31.61 +/- 3.44   0.000% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  25.30 +/- 1.78   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  34.16 +/- 1.75   0.000% *  0.0161% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  28.21 +/- 1.43   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  29.08 +/- 1.23   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 = 0.81, support = 3.27, residual support = 44.9:
    * O T HG3   MET   11 - QB    MET   11   2.50 +/- 0.10  43.899% * 75.1074% (1.00  10.0 10.00   3.31  43.63) =  72.611%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.42 +/- 0.15  53.922% * 23.0568% (0.31  10.0 10.00   3.17  48.15) =  27.380%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.32 +/- 1.09   1.983% *  0.1713% (0.23   1.0 10.00   0.02   1.18) =   0.007%
        T HB3   GLU-  14 - QB    MET   11   9.25 +/- 1.52   0.038% *  0.7105% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   MET   11 - QG    GLU-  14   9.52 +/- 2.12   0.082% *  0.2437% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  11.29 +/- 2.43   0.042% *  0.1811% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HG3   GLU-  36  16.73 +/- 3.73   0.001% *  0.0885% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   GLU-  36  17.93 +/- 4.03   0.001% *  0.0936% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  21.17 +/- 3.60   0.002% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  12.06 +/- 2.28   0.011% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  13.34 +/- 2.61   0.004% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  13.22 +/- 2.39   0.004% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  17.03 +/- 2.89   0.002% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  17.41 +/- 2.91   0.001% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  11.42 +/- 0.76   0.006% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  17.65 +/- 2.21   0.001% *  0.0124% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  16.93 +/- 1.58   0.001% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  16.22 +/- 1.12   0.001% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  14.05 +/- 1.05   0.002% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  19.62 +/- 1.84   0.000% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  24.36 +/- 2.08   0.000% *  0.0503% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  25.15 +/- 2.10   0.000% *  0.0678% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  25.56 +/- 2.68   0.000% *  0.0516% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  24.54 +/- 2.77   0.000% *  0.0337% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  20.99 +/- 1.35   0.000% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  32.05 +/- 3.00   0.000% *  0.0209% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  29.65 +/- 1.43   0.000% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  31.76 +/- 1.60   0.000% *  0.0026% (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 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 +/- 0.01  99.996% * 99.1918% (0.82  10.0 10.00   2.00  12.32) = 100.000%  kept
          HG3   LYS+  33 - HA    ALA   12  15.43 +/- 2.62   0.001% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  17.12 +/- 2.44   0.001% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  17.98 +/- 3.00   0.001% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  17.82 +/- 3.18   0.001% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  19.39 +/- 2.03   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  21.97 +/- 2.16   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  24.92 +/- 3.35   0.000% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  30.51 +/- 3.18   0.000% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  29.45 +/- 4.22   0.000% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  30.11 +/- 2.58   0.000% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  32.76 +/- 2.89   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  27.79 +/- 3.27   0.000% *  0.0142% (0.12   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 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 +/- 0.01  97.092% * 99.5569% (0.82  10.0 10.00   2.00  12.32) =  99.999%  kept
          HA    MET   11 - QB    ALA   12   3.89 +/- 0.23   2.730% *  0.0286% (0.24   1.0  1.00   0.02  12.20) =   0.001%
          HA    GLU-  14 - QB    ALA   12   6.36 +/- 0.66   0.178% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  19.39 +/- 2.09   0.000% *  0.0256% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    ALA   12  24.65 +/- 2.40   0.000% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  26.46 +/- 2.86   0.000% *  0.1029% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  24.18 +/- 2.50   0.000% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  26.75 +/- 2.75   0.000% *  0.0286% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  27.81 +/- 2.63   0.000% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.92, support = 2.04, residual support = 10.5:
    * O T QB    SER   13 - HA    SER   13   2.41 +/- 0.14  71.830% * 64.9056% (1.00  10.0 10.00   1.93   7.30) =  83.766%  kept
      O T HB3   SER   37 - HA    SER   37   2.89 +/- 0.25  27.538% * 32.8086% (0.51  10.0 10.00   2.58  26.83) =  16.233%  kept
          HB    THR   39 - HA    SER   37   6.02 +/- 0.55   0.365% *  0.0346% (0.53   1.0  1.00   0.02   2.75) =   0.000%
        T QB    SER   13 - HA    SER   37  14.82 +/- 4.24   0.025% *  0.3468% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46  10.27 +/- 1.55   0.162% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  14.57 +/- 3.65   0.009% *  0.6140% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    THR   46   8.29 +/- 0.81   0.050% *  0.0134% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  15.18 +/- 3.27   0.004% *  0.0648% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  10.94 +/- 0.48   0.008% *  0.0096% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  14.27 +/- 2.79   0.003% *  0.0180% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  22.33 +/- 1.87   0.000% *  0.3928% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.54 +/- 1.04   0.002% *  0.0238% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.02 +/- 1.20   0.001% *  0.0341% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  24.20 +/- 0.98   0.000% *  0.3716% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.18 +/- 0.96   0.000% *  0.0392% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  18.98 +/- 0.98   0.000% *  0.0109% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  23.75 +/- 2.17   0.000% *  0.0210% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  26.42 +/- 2.32   0.000% *  0.0394% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  27.93 +/- 2.32   0.000% *  0.0563% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  25.57 +/- 1.45   0.000% *  0.0301% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  30.55 +/- 1.55   0.000% *  0.0614% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  28.24 +/- 1.55   0.000% *  0.0328% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  31.06 +/- 2.43   0.000% *  0.0221% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  34.55 +/- 1.32   0.000% *  0.0118% (0.18   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 32 (4.41, 3.86, 64.22 ppm):
    22 chemical-shift based assignments, quality = 0.921, support = 2.04, residual support = 10.6:
    * O T HA    SER   13 - QB    SER   13   2.41 +/- 0.14  71.875% * 63.8850% (1.00  10.0 10.00   1.93   7.30) =  83.126%  kept
      O T HA    SER   37 - HB3   SER   37   2.89 +/- 0.25  27.570% * 33.8056% (0.53  10.0 10.00   2.58  26.83) =  16.873%  kept
          HA    GLU-  15 - QB    SER   13   7.03 +/- 0.79   0.159% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  14.82 +/- 4.24   0.025% *  0.3617% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  14.57 +/- 3.65   0.009% *  0.5971% (0.93   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   SER   37   6.20 +/- 0.49   0.283% *  0.0133% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   8.42 +/- 0.51   0.044% *  0.0565% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  11.17 +/- 1.06   0.010% *  0.0362% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  12.68 +/- 2.09   0.005% *  0.0597% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37  10.41 +/- 0.86   0.013% *  0.0081% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  18.07 +/- 3.47   0.001% *  0.0604% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  22.33 +/- 1.87   0.000% *  0.4133% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  16.17 +/- 1.59   0.001% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  24.20 +/- 0.98   0.000% *  0.3863% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  19.11 +/- 1.72   0.000% *  0.0637% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  18.24 +/- 3.83   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  19.67 +/- 5.64   0.001% *  0.0204% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  21.19 +/- 3.50   0.000% *  0.0218% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  23.51 +/- 1.04   0.000% *  0.0596% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  20.30 +/- 3.68   0.001% *  0.0086% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  23.45 +/- 1.75   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  26.28 +/- 1.33   0.000% *  0.0149% (0.23   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 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 = 0.971, support = 3.01, residual support = 47.9:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.70 +/- 0.17  88.346% * 70.8449% (1.00  10.0 10.00   2.96  48.15) =  95.190%  kept
      O T HG2   MET   11 - HA    MET   11   3.91 +/- 0.34  11.397% * 27.7398% (0.39  10.0 10.00   4.00  43.63) =   4.808%  kept
        T HG2   MET   11 - HA    GLU-  14   9.89 +/- 1.69   0.142% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   GLU-  14 - HA    MET   11   9.95 +/- 1.64   0.090% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  13.77 +/- 3.45   0.017% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  21.45 +/- 1.20   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    GLU-  14  16.68 +/- 2.38   0.002% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  24.93 +/- 2.45   0.000% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  17.14 +/- 3.77   0.003% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  19.61 +/- 3.82   0.001% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  23.50 +/- 2.26   0.000% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  28.65 +/- 2.61   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  29.41 +/- 3.33   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  32.67 +/- 4.08   0.000% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  30.26 +/- 3.87   0.000% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  35.72 +/- 4.38   0.000% *  0.0276% (0.39   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 36 (2.27, 4.31, 56.62 ppm):
    18 chemical-shift based assignments, quality = 0.837, support = 3.38, residual support = 46.4:
    * O T QG    GLU-  14 - HA    GLU-  14   2.48 +/- 0.54  44.586% * 45.0668% (1.00  10.0 10.00   3.40  48.15) =  77.394%  kept
      O T QB    MET   11 - HA    MET   11   2.29 +/- 0.13  54.309% * 10.0127% (0.22  10.0 10.00   3.37  43.63) =  20.944%  kept
        T QG    GLU-  15 - HA    GLU-  14   4.86 +/- 0.78   0.991% * 43.4925% (0.97   1.0 10.00   2.72   1.18) =   1.661%  kept
        T QG    GLU-  15 - HA    MET   11  11.16 +/- 2.11   0.058% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  14   8.86 +/- 1.23   0.034% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    MET   11   9.59 +/- 1.30   0.014% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    GLU-  14  16.84 +/- 1.36   0.000% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  14  12.11 +/- 1.29   0.004% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  23.61 +/- 2.78   0.000% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  14  16.87 +/- 2.18   0.001% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  19.10 +/- 2.55   0.000% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  21.59 +/- 1.68   0.000% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  18.28 +/- 3.92   0.000% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  27.94 +/- 2.07   0.000% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  28.52 +/- 3.43   0.000% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  28.90 +/- 2.09   0.000% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  32.41 +/- 2.95   0.000% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  35.54 +/- 3.17   0.000% *  0.0039% (0.09   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 38 (4.31, 2.08, 30.50 ppm):
    30 chemical-shift based assignments, quality = 0.981, support = 2.97, residual support = 48.0:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.70 +/- 0.17  84.377% * 81.8288% (1.00  10.0 10.00   2.96  48.15) =  97.829%  kept
      O T HA    MET   11 - HG2   MET   11   3.91 +/- 0.34  10.965% * 12.5977% (0.15  10.0 10.00   4.00  43.63) =   1.957%  kept
          HA    ALA   12 - HG2   MET   11   4.88 +/- 0.80   3.497% *  4.2776% (0.37   1.0  1.00   2.85  12.20) =   0.212%
          HA    ALA   12 - HB2   GLU-  14   6.76 +/- 1.41   0.929% *  0.0802% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  14 - HG2   MET   11   9.89 +/- 1.69   0.137% *  0.3064% (0.37   1.0 10.00   0.02   0.02) =   0.001%
        T HA    MET   11 - HB2   GLU-  14   9.95 +/- 1.64   0.085% *  0.3364% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  18.71 +/- 2.03   0.001% *  0.0307% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  24.93 +/- 2.45   0.000% *  0.1203% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.41 +/- 0.80   0.004% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.81 +/- 1.46   0.003% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  26.56 +/- 2.52   0.000% *  0.0655% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  29.17 +/- 2.28   0.000% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  25.08 +/- 2.05   0.000% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  24.53 +/- 2.50   0.000% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  32.67 +/- 4.08   0.000% *  0.0495% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  26.35 +/- 3.17   0.000% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  25.77 +/- 1.65   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  31.94 +/- 3.88   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  30.28 +/- 2.10   0.000% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  26.29 +/- 0.65   0.000% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  23.29 +/- 1.73   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  29.77 +/- 3.44   0.000% *  0.0118% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  35.21 +/- 4.18   0.000% *  0.0304% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  28.95 +/- 2.41   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  30.19 +/- 3.81   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  32.49 +/- 3.80   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  24.83 +/- 0.84   0.000% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  23.37 +/- 1.72   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  36.89 +/- 3.92   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  35.41 +/- 3.88   0.000% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.839, support = 3.2, residual support = 47.2:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.33 +/- 0.15  44.946% * 80.2785% (1.00  10.0 10.00   3.17  48.15) =  79.560%  kept
      O T QB    MET   11 - HG2   MET   11   2.25 +/- 0.12  54.441% * 17.0200% (0.21  10.0 10.00   3.31  43.63) =  20.431%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.59 +/- 0.73   0.412% *  0.7747% (0.97   1.0 10.00   0.02   1.18) =   0.007%
        T QG    GLU-  14 - HG2   MET   11   9.51 +/- 2.21   0.075% *  0.3006% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  11.15 +/- 2.34   0.054% *  0.2901% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLU-  14   8.95 +/- 1.53   0.022% *  0.4545% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  11.78 +/- 1.86   0.005% *  0.0796% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  11.45 +/- 2.40   0.041% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.20 +/- 1.28   0.001% *  0.0811% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  16.23 +/- 1.91   0.001% *  0.0801% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU-  14  15.77 +/- 2.30   0.001% *  0.0248% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  21.54 +/- 2.78   0.000% *  0.1181% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  13.95 +/- 1.23   0.001% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  21.71 +/- 1.87   0.000% *  0.1139% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  19.42 +/- 2.86   0.000% *  0.0298% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  21.65 +/- 2.26   0.000% *  0.0551% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  17.36 +/- 1.32   0.000% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  17.66 +/- 1.62   0.000% *  0.0114% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  19.90 +/- 3.93   0.000% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  27.05 +/- 2.42   0.000% *  0.0775% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  24.11 +/- 3.04   0.000% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  29.33 +/- 3.71   0.000% *  0.0668% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  28.49 +/- 3.40   0.000% *  0.0207% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  28.23 +/- 2.31   0.000% *  0.0179% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  33.37 +/- 3.25   0.000% *  0.0290% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  27.72 +/- 2.04   0.000% *  0.0036% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  36.04 +/- 3.42   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 = 0.879, support = 3.39, residual support = 47.5:
    * O T HA    GLU-  14 - QG    GLU-  14   2.48 +/- 0.54  43.950% * 85.4905% (1.00  10.0 10.00   3.40  48.15) =  86.092%  kept
      O T HA    MET   11 - QB    MET   11   2.29 +/- 0.13  53.145% * 11.4057% (0.13  10.0 10.00   3.37  43.63) =  13.889%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.86 +/- 0.78   0.971% *  0.7522% (0.88   1.0 10.00   0.02   1.18) =   0.017%
          HA    ALA   12 - QB    MET   11   4.17 +/- 0.23   1.630% *  0.0272% (0.32   1.0  1.00   0.02  12.20) =   0.001%
        T HA    MET   11 - QG    GLU-  15  11.16 +/- 2.11   0.056% *  0.3092% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  14   6.97 +/- 0.87   0.115% *  0.0838% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   8.86 +/- 1.23   0.034% *  0.2774% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   8.71 +/- 1.75   0.083% *  0.0737% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  14   9.59 +/- 1.30   0.014% *  0.3515% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.32 +/- 1.90   0.001% *  0.2823% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  16.77 +/- 1.78   0.000% *  0.3209% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  20.54 +/- 2.19   0.000% *  0.0602% (0.70   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  23.53 +/- 2.57   0.000% *  0.1041% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  23.81 +/- 2.10   0.000% *  0.0685% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  19.24 +/- 2.34   0.000% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  25.23 +/- 2.69   0.000% *  0.0746% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  26.37 +/- 2.15   0.000% *  0.0847% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.53 +/- 2.24   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  22.53 +/- 1.92   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  22.09 +/- 2.16   0.000% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  28.44 +/- 3.28   0.000% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  26.57 +/- 2.40   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  27.30 +/- 2.02   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  24.56 +/- 2.35   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  26.10 +/- 2.23   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  31.13 +/- 3.43   0.000% *  0.0275% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.83 +/- 3.20   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  28.89 +/- 3.21   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  32.68 +/- 3.25   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  31.39 +/- 3.22   0.000% *  0.0038% (0.04   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 44 (2.27, 2.27, 36.31 ppm):
    3 diagonal assignments:
    *     QG    GLU-  14 - QG    GLU-  14  (1.00)  kept
          QG    GLU-  15 - QG    GLU-  15  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 45 (1.92, 2.27, 36.31 ppm):
    18 chemical-shift based assignments, quality = 0.861, support = 3.2, residual support = 47.2:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.42 +/- 0.15  53.935% * 74.4402% (1.00  10.0 10.00   3.17  48.15) =  79.983%  kept
      O T HG3   MET   11 - QB    MET   11   2.50 +/- 0.10  43.910% * 22.8520% (0.31  10.0 10.00   3.31  43.63) =  19.990%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.32 +/- 1.09   1.984% *  0.6550% (0.88   1.0 10.00   0.02   1.18) =   0.026%
        T HG3   MET   11 - QG    GLU-  14   9.52 +/- 2.12   0.082% *  0.7042% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   MET   11 - QG    GLU-  15  11.29 +/- 2.43   0.042% *  0.6196% (0.83   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   GLU-  14 - QB    MET   11   9.25 +/- 1.52   0.038% *  0.2416% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  13.34 +/- 2.61   0.004% *  0.0319% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  17.03 +/- 2.89   0.002% *  0.0362% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  17.65 +/- 2.21   0.001% *  0.0568% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  21.17 +/- 3.60   0.002% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  19.62 +/- 1.84   0.000% *  0.0646% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  16.22 +/- 1.12   0.001% *  0.0182% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  16.93 +/- 1.58   0.001% *  0.0207% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  24.36 +/- 2.08   0.000% *  0.1011% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  25.15 +/- 2.10   0.000% *  0.1149% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  25.56 +/- 2.68   0.000% *  0.0210% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  24.54 +/- 2.77   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  32.05 +/- 3.00   0.000% *  0.0037% (0.05   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 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 = 0.997, support = 2.12, residual support = 10.2:
    * O T QG    GLU-  15 - HA    GLU-  15   2.66 +/- 0.57  91.005% * 49.8424% (1.00  10.0 10.00   2.07  11.01) =  91.647%  kept
        T QG    GLU-  14 - HA    GLU-  15   4.72 +/- 0.83   8.593% * 48.1014% (0.97   1.0 10.00   2.72   1.18) =   8.352%  kept
        T QB    MET   11 - HA    GLU-  15  11.42 +/- 1.71   0.154% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HA    GLU-  15   8.35 +/- 0.77   0.154% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    LEU   40  13.59 +/- 2.56   0.011% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    LEU   40  17.06 +/- 2.71   0.003% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    LEU   40  11.52 +/- 0.46   0.022% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    LEU   40  20.93 +/- 3.46   0.002% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  15  13.43 +/- 0.95   0.008% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASN   35  15.58 +/- 2.61   0.004% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LEU   40  13.59 +/- 0.68   0.008% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASN   35  18.42 +/- 3.00   0.002% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASN   35  20.13 +/- 3.63   0.002% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  15.21 +/- 2.53   0.005% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  15  15.23 +/- 1.71   0.006% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  18.03 +/- 1.56   0.001% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  15.55 +/- 0.53   0.004% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  16.22 +/- 0.69   0.003% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.89 +/- 0.25   0.011% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  21.55 +/- 1.32   0.001% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  18.57 +/- 0.79   0.001% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  25.38 +/- 1.43   0.000% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  24.15 +/- 1.70   0.000% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  22.52 +/- 2.45   0.000% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  23.86 +/- 1.28   0.000% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  25.93 +/- 1.41   0.000% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  28.97 +/- 1.51   0.000% *  0.0013% (0.03   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 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   2.40 +/- 0.17  96.379% * 95.2027% (1.00  10.0 10.00   3.00  11.01) =  99.992%  kept
        T HB2   GLN   17 - HA    GLU-  15   6.11 +/- 0.52   0.490% *  0.9520% (1.00   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   PRO   68 - HA    GLU-  15  10.71 +/- 3.20   0.345% *  0.7623% (0.80   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   19 - HA    GLU-  15   7.33 +/- 1.00   0.185% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ASN   35   6.09 +/- 2.23   2.177% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU   40   7.22 +/- 1.52   0.290% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HA    LEU   40  13.67 +/- 2.27   0.005% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HA    LEU   40  12.56 +/- 1.47   0.006% *  0.6165% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  15  11.49 +/- 2.20   0.026% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HA    LEU   40  17.51 +/- 1.16   0.001% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  15  11.65 +/- 1.65   0.012% *  0.0391% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU   40  12.24 +/- 1.76   0.008% *  0.0375% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU   40  11.67 +/- 0.92   0.009% *  0.0317% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU   40  10.43 +/- 0.86   0.017% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  11.89 +/- 1.30   0.009% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU   40  14.05 +/- 1.88   0.003% *  0.0436% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.61 +/- 0.92   0.009% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  17.36 +/- 1.81   0.001% *  0.0498% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35  10.24 +/- 0.62   0.018% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  19.19 +/- 1.60   0.000% *  0.0901% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  15.65 +/- 2.36   0.002% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  16.38 +/- 3.03   0.002% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  20.09 +/- 0.65   0.000% *  0.0728% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  22.86 +/- 2.53   0.000% *  0.0763% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  16.10 +/- 2.01   0.001% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  22.39 +/- 1.65   0.000% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  18.97 +/- 2.09   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  17.69 +/- 1.37   0.001% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  18.45 +/- 0.72   0.000% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  17.74 +/- 1.64   0.001% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  21.12 +/- 2.37   0.000% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  27.03 +/- 2.08   0.000% *  0.0944% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  21.21 +/- 1.12   0.000% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  23.68 +/- 1.69   0.000% *  0.0114% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  29.87 +/- 2.34   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  23.83 +/- 2.95   0.000% *  0.0031% (0.03   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 53 (4.41, 2.27, 36.40 ppm):
    33 chemical-shift based assignments, quality = 0.991, support = 2.12, residual support = 10.3:
    * O T HA    GLU-  15 - QG    GLU-  15   2.66 +/- 0.57  85.658% * 52.1759% (1.00  10.0 10.00   2.07  11.01) =  92.596%  kept
        T HA    GLU-  15 - QG    GLU-  14   4.72 +/- 0.83   7.778% * 45.9069% (0.88   1.0 10.00   2.72   1.18) =   7.398%  kept
          HA    SER   13 - QG    GLU-  14   5.06 +/- 0.70   2.862% *  0.0459% (0.88   1.0  1.00   0.02   6.66) =   0.003%
          HA    SER   13 - QG    GLU-  15   6.34 +/- 0.94   1.612% *  0.0522% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLU-  15 - QB    MET   11  11.42 +/- 1.71   0.133% *  0.1258% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - QB    MET   11   6.49 +/- 0.60   1.035% *  0.0126% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG    GLU-  15   6.80 +/- 0.42   0.432% *  0.0295% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG    GLU-  14   7.74 +/- 1.20   0.376% *  0.0260% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  15  13.59 +/- 2.56   0.009% *  0.4936% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  14  17.06 +/- 2.71   0.003% *  0.4343% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  15  12.66 +/- 2.52   0.015% *  0.0295% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  15  15.58 +/- 2.61   0.003% *  0.1162% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  16.45 +/- 4.19   0.039% *  0.0071% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    MET   11  20.93 +/- 3.46   0.002% *  0.1190% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  14.68 +/- 1.09   0.004% *  0.0521% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  14  15.47 +/- 1.54   0.004% *  0.0458% (0.88   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  14  18.42 +/- 3.00   0.001% *  0.1022% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  14  15.81 +/- 3.25   0.004% *  0.0260% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  16.11 +/- 3.57   0.004% *  0.0178% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  15.32 +/- 2.00   0.008% *  0.0071% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QB    MET   11  20.13 +/- 3.63   0.002% *  0.0280% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  18.83 +/- 2.35   0.001% *  0.0297% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  18.62 +/- 1.58   0.001% *  0.0338% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  15.90 +/- 2.63   0.003% *  0.0071% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  19.58 +/- 3.43   0.001% *  0.0157% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  18.82 +/- 1.26   0.001% *  0.0130% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  19.84 +/- 1.87   0.001% *  0.0114% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  19.26 +/- 2.74   0.001% *  0.0062% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  23.13 +/- 2.78   0.001% *  0.0126% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  24.40 +/- 4.13   0.001% *  0.0043% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  26.05 +/- 3.44   0.000% *  0.0081% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  23.03 +/- 3.69   0.001% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  27.40 +/- 2.96   0.000% *  0.0031% (0.06   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 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 = 84.3:
    * O T HB2   GLN   17 - HA    GLN   17   2.58 +/- 0.12  99.196% * 97.7872% (1.00  10.0 10.00   4.00  84.28) =  99.994%  kept
        T QB    GLU-  15 - HA    GLN   17   6.60 +/- 0.54   0.537% *  0.9779% (1.00   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   PRO   68 - HA    GLN   17  10.76 +/- 2.45   0.078% *  0.7830% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    GLN   17   8.04 +/- 0.64   0.142% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLN   17  11.14 +/- 1.64   0.028% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLN   17  13.23 +/- 1.43   0.007% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLN   17  13.59 +/- 0.89   0.005% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  14.89 +/- 1.48   0.003% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  18.66 +/- 1.69   0.001% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLN   17  20.28 +/- 0.86   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  22.42 +/- 2.34   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  22.61 +/- 2.00   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 62 (2.21, 4.42, 54.38 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.3:
    * O T QG    GLN   17 - HA    GLN   17   2.87 +/- 0.56  99.794% * 98.5118% (0.76  10.0 10.00   4.31  84.28) =  99.998%  kept
        T HB    VAL   70 - HA    GLN   17   9.55 +/- 1.28   0.191% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HA    GLN   17  16.11 +/- 1.02   0.005% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   17  17.22 +/- 1.24   0.004% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLN   17  19.44 +/- 1.00   0.002% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  18.44 +/- 1.48   0.003% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   17  21.24 +/- 1.97   0.001% *  0.0834% (0.65   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 63 (4.42, 2.01, 31.84 ppm):
    24 chemical-shift based assignments, quality = 0.198, support = 3.51, residual support = 48.3:
    * O T HA    GLN   17 - HB2   GLN   17   2.58 +/- 0.12  39.238% * 57.9333% (0.24  10.0 10.00   4.00  84.28) =  50.883%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.40 +/- 0.17  59.589% * 36.8149% (0.15  10.0 10.00   3.00  11.01) =  49.106%  kept
        T HA    GLU-  15 - HB3   PRO   68  10.71 +/- 3.20   0.211% *  0.8229% (0.34   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLN   17 - QB    GLU-  15   6.60 +/- 0.54   0.218% *  0.6503% (0.27   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLU-  15 - HB2   GLN   17   6.11 +/- 0.52   0.311% *  0.3280% (0.14   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   17 - HB3   PRO   68  10.76 +/- 2.45   0.030% *  1.4535% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   13 - QB    GLU-  15   5.89 +/- 0.56   0.339% *  0.0368% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   PRO   68  12.56 +/- 1.47   0.004% *  0.5455% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN   17  11.16 +/- 1.70   0.025% *  0.0328% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    GLU-  15  13.67 +/- 2.27   0.003% *  0.2441% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  10.53 +/- 1.14   0.011% *  0.0305% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    GLU-  15  12.68 +/- 2.47   0.005% *  0.0650% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   68  15.56 +/- 4.12   0.004% *  0.0823% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   PRO   68  13.55 +/- 1.28   0.002% *  0.0882% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   68  14.85 +/- 1.30   0.001% *  0.1454% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  13.53 +/- 1.75   0.003% *  0.0394% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   GLN   17  17.51 +/- 1.16   0.000% *  0.2174% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  15.01 +/- 1.91   0.002% *  0.0574% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   PRO   68  15.87 +/- 1.46   0.001% *  0.0765% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  14.21 +/- 0.90   0.002% *  0.0351% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  14.66 +/- 1.29   0.001% *  0.0342% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  18.71 +/- 1.52   0.000% *  0.0645% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   68  22.11 +/- 1.71   0.000% *  0.1441% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   GLN   17  19.64 +/- 1.40   0.000% *  0.0579% (0.24   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 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 = 0.187, support = 4.29, residual support = 83.7:
    * O T QG    GLN   17 - HB2   GLN   17   2.44 +/- 0.12  98.140% * 39.6757% (0.18  10.0 10.00   4.31  84.28) =  99.312%  kept
        T HB    VAL   70 - HB3   PRO   68   6.63 +/- 0.94   0.484% * 54.3957% (0.51   1.0 10.00   1.00   1.06) =   0.671%  kept
        T QG    GLN   17 - QB    GLU-  15   5.29 +/- 0.67   1.245% *  0.4453% (0.21   1.0 10.00   0.02   0.02) =   0.014%
        T QG    GLN   17 - HB3   PRO   68  10.87 +/- 2.71   0.053% *  0.9955% (0.46   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   70 - QB    GLU-  15   9.41 +/- 1.41   0.055% *  0.4867% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   70 - HB2   GLN   17  11.66 +/- 1.11   0.010% *  0.4336% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB3   PRO   68  16.90 +/- 1.90   0.001% *  0.8426% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - QB    GLU-  15  17.30 +/- 2.43   0.001% *  0.3770% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - QB    GLU-  15  17.64 +/- 1.91   0.001% *  0.3770% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB2   GLN   17  18.43 +/- 1.09   0.001% *  0.3358% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  16.34 +/- 2.79   0.003% *  0.0444% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   PRO   68  17.86 +/- 1.56   0.001% *  0.1291% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB3   PRO   68  25.30 +/- 1.89   0.000% *  0.8426% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB2   GLN   17  22.67 +/- 1.83   0.000% *  0.3358% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QB    GLU-  15  17.00 +/- 1.74   0.001% *  0.0578% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   GLN   17  17.06 +/- 0.95   0.001% *  0.0515% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  16.22 +/- 1.66   0.001% *  0.0294% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  19.08 +/- 1.88   0.001% *  0.0330% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  19.15 +/- 1.64   0.001% *  0.0199% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   PRO   68  25.13 +/- 1.46   0.000% *  0.0737% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  20.24 +/- 1.35   0.000% *  0.0177% (0.08   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 66 (4.42, 2.21, 33.80 ppm):
    16 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.3:
    * O T HA    GLN   17 - QG    GLN   17   2.87 +/- 0.56  69.947% * 99.2429% (0.76  10.0 10.00   4.31  84.28) =  99.976%  kept
          HA    GLU-  15 - QG    GLN   17   4.33 +/- 1.26  29.048% *  0.0562% (0.43   1.0  1.00   0.02   0.02) =   0.024%
        T HA    GLN   17 - HB    VAL   70   9.55 +/- 1.28   0.093% *  0.2033% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG    GLN   17   8.91 +/- 1.54   0.272% *  0.0562% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    VAL   70   7.51 +/- 0.46   0.297% *  0.0123% (0.09   1.0  1.00   0.02   1.33) =   0.000%
          HA    PRO   58 - QG    GLN   17  10.49 +/- 1.12   0.033% *  0.0522% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    VAL   70   7.86 +/- 0.60   0.224% *  0.0076% (0.06   1.0  1.00   0.02  35.97) =   0.000%
          HA    VAL   42 - QG    GLN   17  13.32 +/- 1.06   0.010% *  0.0602% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLN   17  14.88 +/- 1.41   0.006% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    VAL   70  10.49 +/- 1.33   0.042% *  0.0115% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLN   17  16.90 +/- 1.76   0.003% *  0.0992% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  13.28 +/- 0.76   0.008% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG    GLN   17  15.68 +/- 1.48   0.004% *  0.0372% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  13.82 +/- 1.02   0.007% *  0.0107% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  17.48 +/- 0.99   0.002% *  0.0201% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  16.21 +/- 1.87   0.003% *  0.0115% (0.09   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 67 (2.01, 2.21, 33.80 ppm):
    24 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.3:
    * O T HB2   GLN   17 - QG    GLN   17   2.44 +/- 0.12  96.782% * 95.9708% (0.76  10.0 10.00   4.31  84.28) =  99.986%  kept
        T QB    GLU-  15 - QG    GLN   17   5.29 +/- 0.67   1.224% *  0.9597% (0.76   1.0 10.00   0.02   0.02) =   0.013%
        T HB3   PRO   68 - HB    VAL   70   6.63 +/- 0.94   0.471% *  0.1574% (0.13   1.0 10.00   0.02   1.06) =   0.001%
        T HB3   PRO   68 - QG    GLN   17  10.87 +/- 2.71   0.053% *  0.7685% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLN   17   6.82 +/- 1.51   0.424% *  0.0543% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB    VAL   70   9.41 +/- 1.41   0.054% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB    VAL   70   6.12 +/- 1.44   0.891% *  0.0096% (0.08   1.0  1.00   0.02   1.06) =   0.000%
        T HB2   GLN   17 - HB    VAL   70  11.66 +/- 1.11   0.010% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLN   17  11.39 +/- 1.77   0.017% *  0.0467% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLN   17  17.75 +/- 1.25   0.001% *  0.9078% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLN   17  11.89 +/- 1.96   0.011% *  0.0395% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70  11.40 +/- 1.58   0.013% *  0.0111% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG    GLN   17  12.42 +/- 1.43   0.007% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  14.80 +/- 1.33   0.002% *  0.0438% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  11.51 +/- 2.79   0.019% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - QG    GLN   17  21.34 +/- 2.16   0.000% *  0.2137% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  12.73 +/- 1.26   0.006% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HB    VAL   70  21.80 +/- 0.98   0.000% *  0.1860% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  18.74 +/- 1.36   0.001% *  0.0621% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  15.42 +/- 2.07   0.003% *  0.0127% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  15.76 +/- 1.62   0.002% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  12.13 +/- 1.07   0.008% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  22.24 +/- 2.05   0.000% *  0.0951% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  20.10 +/- 2.80   0.000% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.02 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 = 76.5:
    * O T HB    VAL   18 - HA    VAL   18   2.59 +/- 0.27  99.779% * 99.6862% (1.00  10.0 10.00   3.44  76.52) = 100.000%  kept
          HB2   LEU   67 - HA    VAL   18   8.50 +/- 1.51   0.207% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  14.30 +/- 0.75   0.004% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    VAL   18  13.63 +/- 1.11   0.006% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    VAL   18  17.29 +/- 1.33   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  16.12 +/- 1.07   0.002% *  0.0524% (0.53   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 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 76.5:
    * O T QG1   VAL   18 - HA    VAL   18   2.38 +/- 0.28  99.444% * 98.7319% (1.00  10.0 10.00   4.00  76.52) =  99.998%  kept
        T QG1   VAL   70 - HA    VAL   18   8.73 +/- 1.35   0.121% *  0.9678% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HA    VAL   18   7.44 +/- 1.40   0.328% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    VAL   18   9.01 +/- 1.50   0.100% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   18  13.55 +/- 1.77   0.005% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   18  17.96 +/- 1.13   0.001% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  17.26 +/- 1.49   0.001% *  0.0195% (0.20   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 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.984, support = 3.93, residual support = 73.2:
    * O T QG2   VAL   18 - HA    VAL   18   2.98 +/- 0.33  71.362% * 84.9990% (1.00  10.0 10.00   3.90  76.52) =  93.979%  kept
          QD1   ILE   19 - HA    VAL   18   4.07 +/- 1.22  28.383% * 13.6895% (0.73   1.0  1.00   4.44  20.61) =   6.020%  kept
        T QG1   VAL   41 - HA    VAL   18  10.96 +/- 0.90   0.046% *  0.6496% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    VAL   18   9.22 +/- 0.57   0.103% *  0.0785% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   18   9.30 +/- 0.98   0.093% *  0.0833% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   18  16.19 +/- 0.97   0.004% *  0.4812% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   18  13.87 +/- 0.90   0.009% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.05 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 76.5:
    * O T HA    VAL   18 - HB    VAL   18   2.59 +/- 0.27  99.971% * 99.3791% (1.00  10.0 10.00   3.44  76.52) = 100.000%  kept
          HA    VAL   70 - HB    VAL   18  11.35 +/- 1.30   0.015% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB    VAL   18  15.40 +/- 1.80   0.004% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  15.15 +/- 1.57   0.003% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   18  17.24 +/- 1.27   0.001% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   18  17.15 +/- 1.59   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  16.30 +/- 1.05   0.002% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  20.71 +/- 1.27   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  18.81 +/- 1.36   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  22.28 +/- 1.06   0.000% *  0.0484% (0.49   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 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 = 76.5:
    * O T QG1   VAL   18 - HB    VAL   18   2.12 +/- 0.02  99.853% * 99.5994% (1.00  10.0 10.00   3.44  76.52) = 100.000%  kept
          HB3   LEU   63 - HB    VAL   18   8.55 +/- 1.60   0.081% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB    VAL   18   9.39 +/- 1.57   0.029% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB    VAL   18   8.95 +/- 1.46   0.033% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   18  13.15 +/- 1.90   0.003% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   18  18.30 +/- 1.62   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  16.35 +/- 1.46   0.001% *  0.0197% (0.20   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 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.2, residual support = 76.5:
    * O T QG2   VAL   18 - HB    VAL   18   2.13 +/- 0.01  99.538% * 98.4101% (1.00  10.0 10.00   3.20  76.52) = 100.000%  kept
          QD1   ILE   19 - HB    VAL   18   5.90 +/- 1.07   0.398% *  0.0715% (0.73   1.0  1.00   0.02  20.61) =   0.000%
          QG2   THR   46 - HB    VAL   18   8.16 +/- 1.13   0.043% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - HB    VAL   18  12.02 +/- 1.18   0.004% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    VAL   18   9.44 +/- 0.92   0.016% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   18  16.64 +/- 1.41   0.000% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   18  15.10 +/- 1.20   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (4.00, 0.86, 22.91 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 76.5:
    * O T HA    VAL   18 - QG1   VAL   18   2.38 +/- 0.28  99.940% * 97.2871% (1.00  10.0 10.00   4.00  76.52) = 100.000%  kept
        T HA    VAL   70 - QG1   VAL   18   9.48 +/- 0.92   0.028% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   18  12.08 +/- 1.22   0.009% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   18  15.74 +/- 1.20   0.002% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   18  13.22 +/- 1.22   0.005% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   18  13.60 +/- 1.31   0.004% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   18  12.98 +/- 1.14   0.005% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  13.10 +/- 0.85   0.005% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   18  14.70 +/- 1.22   0.002% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  17.23 +/- 0.97   0.001% *  0.0474% (0.49   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 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 76.5:
    * O T HB    VAL   18 - QG1   VAL   18   2.12 +/- 0.02  99.945% * 99.6862% (1.00  10.0 10.00   3.44  76.52) = 100.000%  kept
          HB2   LEU   67 - QG1   VAL   18   8.38 +/- 1.25   0.039% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  10.86 +/- 0.91   0.007% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   18  12.71 +/- 1.22   0.003% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  12.30 +/- 1.17   0.003% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG1   VAL   18  12.00 +/- 0.98   0.003% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.9, residual support = 76.5:
    * O T QG2   VAL   18 - QG1   VAL   18   2.06 +/- 0.06  98.431% * 98.4101% (1.00  10.0 10.00   3.90  76.52) =  99.999%  kept
          QD1   ILE   19 - QG1   VAL   18   4.69 +/- 0.82   1.217% *  0.0715% (0.73   1.0  1.00   0.02  20.61) =   0.001%
          QG2   THR   46 - QG1   VAL   18   5.97 +/- 0.89   0.239% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG1   VAL   18   9.31 +/- 0.79   0.014% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QG1   VAL   18   6.85 +/- 0.79   0.093% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG1   VAL   18  13.40 +/- 0.96   0.001% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   VAL   18  11.37 +/- 1.14   0.004% *  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 = 3.9, residual support = 76.5:
    * O T HA    VAL   18 - QG2   VAL   18   2.98 +/- 0.33  97.132% * 97.9277% (1.00  10.0 10.00   3.90  76.52) =  99.998%  kept
          HA    VAL   70 - QG1   VAL   41   6.72 +/- 0.52   0.946% *  0.0514% (0.52   1.0  1.00   0.02   2.70) =   0.001%
        T HA    VAL   18 - QG1   VAL   41  10.96 +/- 0.90   0.058% *  0.7484% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   41   7.53 +/- 0.60   0.523% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   41   6.92 +/- 0.59   0.849% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   41   8.96 +/- 0.66   0.178% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG2   VAL   18  10.35 +/- 0.72   0.066% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   VAL   18  12.28 +/- 1.86   0.034% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   18  12.87 +/- 1.56   0.020% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104  10.12 +/- 0.77   0.083% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   18  14.81 +/- 1.19   0.009% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   18 - QD2   LEU  104  16.19 +/- 0.97   0.005% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   18  14.99 +/- 1.05   0.008% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG1   VAL   41  15.06 +/- 1.10   0.007% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  13.14 +/- 1.08   0.017% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG2   VAL   18  17.15 +/- 1.49   0.004% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   41  16.54 +/- 1.91   0.004% *  0.0514% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   VAL   18  16.34 +/- 1.06   0.004% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  16.29 +/- 1.21   0.005% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  14.77 +/- 1.15   0.009% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  18.55 +/- 1.34   0.002% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  13.85 +/- 1.48   0.015% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  14.84 +/- 1.62   0.008% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  19.86 +/- 0.74   0.001% *  0.0543% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  16.60 +/- 1.37   0.004% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  17.06 +/- 2.13   0.004% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  19.45 +/- 1.42   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  20.45 +/- 0.83   0.001% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  23.22 +/- 0.94   0.001% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  21.86 +/- 1.15   0.001% *  0.0042% (0.04   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 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.2, residual support = 76.5:
    * O T HB    VAL   18 - QG2   VAL   18   2.13 +/- 0.01  99.242% * 98.5012% (1.00  10.0 10.00   3.20  76.52) = 100.000%  kept
          HB2   LEU   40 - QG1   VAL   41   5.24 +/- 0.49   0.519% *  0.0257% (0.26   1.0  1.00   0.02  19.76) =   0.000%
          HB2   LEU   67 - QG2   VAL   18   8.45 +/- 1.67   0.055% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   18 - QG1   VAL   41  12.02 +/- 1.18   0.004% *  0.7528% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QD2   LEU  104   6.66 +/- 0.74   0.149% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18   9.87 +/- 1.22   0.013% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QG1   VAL   41  11.16 +/- 1.21   0.006% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG2   VAL   18  12.12 +/- 1.21   0.003% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  12.40 +/- 0.86   0.003% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   18 - QD2   LEU  104  16.64 +/- 1.41   0.000% *  0.1514% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG2   VAL   18  13.12 +/- 0.90   0.002% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  13.79 +/- 2.24   0.002% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  16.45 +/- 1.27   0.001% *  0.0396% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  15.10 +/- 1.08   0.001% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  21.65 +/- 0.72   0.000% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  19.69 +/- 0.84   0.000% *  0.0366% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  20.86 +/- 1.08   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  23.18 +/- 0.92   0.000% *  0.0136% (0.14   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 83 (0.86, 0.75, 22.78 ppm):
    21 chemical-shift based assignments, quality = 0.985, support = 3.93, residual support = 78.9:
    * O T QG1   VAL   18 - QG2   VAL   18   2.06 +/- 0.06  78.110% * 90.9635% (1.00  10.0 10.00   3.90  76.52) =  98.326%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.71 +/- 0.28  17.738% *  6.8036% (0.07  10.0 10.00   5.41 217.85) =   1.670%  kept
          QD1   LEU   71 - QG1   VAL   41   4.14 +/- 1.05   3.876% *  0.0581% (0.64   1.0  1.00   0.02   4.48) =   0.003%
        T HB3   LEU  104 - QG1   VAL   41   8.36 +/- 1.06   0.031% *  0.3384% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41   9.31 +/- 0.79   0.011% *  0.6952% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.60 +/- 1.57   0.080% *  0.0625% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   7.07 +/- 0.53   0.053% *  0.0681% (0.75   1.0  1.00   0.02   2.70) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   8.10 +/- 1.03   0.031% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   8.52 +/- 1.17   0.025% *  0.0892% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  11.31 +/- 1.46   0.004% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   8.54 +/- 0.89   0.019% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.97 +/- 0.82   0.000% *  0.4428% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  13.40 +/- 0.96   0.001% *  0.1398% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.83 +/- 1.42   0.003% *  0.0478% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  13.25 +/- 2.75   0.002% *  0.0581% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.01 +/- 0.96   0.007% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  12.06 +/- 2.59   0.004% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  13.65 +/- 1.46   0.001% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  13.19 +/- 1.32   0.001% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  13.88 +/- 0.58   0.001% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  11.84 +/- 0.51   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 = 4.75, residual support = 128.8:
    * O T HB    ILE   19 - HA    ILE   19   2.96 +/- 0.13  97.751% * 98.7896% (1.00  10.0 10.00   4.75 128.78) =  99.999%  kept
          HB2   GLN   17 - HA    ILE   19   5.73 +/- 0.41   2.019% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    ILE   19   8.52 +/- 0.76   0.197% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    ILE   19  14.03 +/- 0.92   0.010% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ILE   19  15.64 +/- 1.52   0.006% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE   19  15.23 +/- 2.43   0.011% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  16.74 +/- 1.34   0.003% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ILE   19  20.68 +/- 1.24   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  19.42 +/- 1.04   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  24.70 +/- 2.20   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 128.8:
    * O T HG12  ILE   19 - HA    ILE   19   3.42 +/- 0.57  80.826% * 98.1529% (1.00  10.0 10.00   5.31 128.78) =  99.983%  kept
          HB3   LYS+  74 - HA    ILE   19   5.24 +/- 1.09  17.577% *  0.0556% (0.57   1.0  1.00   0.02   8.27) =   0.012%
        T HG    LEU   73 - HA    ILE   19   8.13 +/- 1.03   0.886% *  0.3348% (0.34   1.0 10.00   0.02   4.00) =   0.004%
          QB    ALA   61 - HA    ILE   19   8.33 +/- 1.00   0.559% *  0.0851% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   80 - HA    ILE   19  13.50 +/- 1.49   0.030% *  0.9621% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ILE   19  12.90 +/- 1.73   0.054% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ILE   19  13.81 +/- 1.23   0.023% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ILE   19  14.31 +/- 1.02   0.019% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ILE   19  18.87 +/- 3.26   0.009% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ILE   19  15.05 +/- 0.98   0.015% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ILE   19  22.50 +/- 2.20   0.002% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  23.75 +/- 1.42   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.20 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 128.8:
    * O T HG13  ILE   19 - HA    ILE   19   3.14 +/- 0.56  97.978% * 98.2804% (1.00  10.0 10.00   4.75 128.78) =  99.996%  kept
        T HG    LEU   71 - HA    ILE   19  10.27 +/- 1.63   0.249% *  0.8814% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HA    ILE   19   7.15 +/- 1.25   1.578% *  0.0907% (0.92   1.0  1.00   0.02   8.27) =   0.001%
        T QG2   ILE   56 - HA    ILE   19  14.13 +/- 2.01   0.021% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   19  11.42 +/- 1.10   0.091% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   19  11.71 +/- 0.94   0.070% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ILE   19  17.37 +/- 1.62   0.006% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE   19  20.53 +/- 1.42   0.002% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE   19  21.18 +/- 1.35   0.002% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  19.46 +/- 1.47   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  25.11 +/- 2.86   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.13 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.993, support = 4.74, residual support = 126.2:
    *   T QD1   ILE   19 - HA    ILE   19   2.77 +/- 0.60  86.556% * 85.7122% (1.00 10.00   4.75 128.78) =  97.621%  kept
          QG2   VAL   18 - HA    ILE   19   4.43 +/- 0.66  12.866% * 14.0484% (0.73  1.00   4.51  20.61) =   2.378%  kept
          QG2   THR   46 - HA    ILE   19   9.31 +/- 1.46   0.510% *  0.0716% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    ILE   19  10.47 +/- 0.66   0.041% *  0.0417% (0.49  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    ILE   19  12.23 +/- 1.10   0.018% *  0.0265% (0.31  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    ILE   19  14.23 +/- 1.27   0.007% *  0.0170% (0.20  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    ILE   19  18.47 +/- 0.84   0.001% *  0.0827% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.14 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 128.8:
    * O T HA    ILE   19 - HB    ILE   19   2.96 +/- 0.13  99.773% * 98.6066% (1.00  10.0 10.00   4.75 128.78) = 100.000%  kept
        T HA    GLU-  25 - HB    ILE   19  13.21 +/- 1.22   0.016% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB    ILE   19   9.50 +/- 1.54   0.207% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HB    ILE   19  20.04 +/- 0.94   0.001% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    ILE   19  17.28 +/- 1.47   0.003% *  0.0884% (0.90   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 91 (2.00, 2.00, 37.78 ppm):
    1 diagonal assignment:
    *     HB    ILE   19 - HB    ILE   19  (1.00)  kept
 
    Peak 92 (1.42, 2.00, 37.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 128.8:
    * O T HG12  ILE   19 - HB    ILE   19   2.51 +/- 0.25  97.462% * 97.5273% (1.00  10.0 10.00   4.29 128.78) =  99.993%  kept
        T HG    LEU   73 - HB    ILE   19   6.17 +/- 2.02   1.661% *  0.3327% (0.34   1.0 10.00   0.02   4.00) =   0.006%
          HB3   LYS+  74 - HB    ILE   19   5.88 +/- 0.72   0.788% *  0.0552% (0.57   1.0  1.00   0.02   8.27) =   0.000%
        T HB3   LEU   67 - HB    ILE   19  12.15 +/- 1.94   0.017% *  0.7082% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HB    ILE   19  12.83 +/- 0.98   0.006% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    ILE   19   9.52 +/- 1.03   0.049% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB    ILE   19  13.26 +/- 0.80   0.005% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB    ILE   19  14.52 +/- 1.10   0.004% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  13.27 +/- 1.84   0.006% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  19.16 +/- 2.97   0.001% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  21.85 +/- 2.74   0.000% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  21.70 +/- 2.18   0.000% *  0.0243% (0.25   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 93 (1.25, 2.00, 37.78 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 128.8:
    * O T HG13  ILE   19 - HB    ILE   19   2.61 +/- 0.28  99.024% * 97.6364% (1.00  10.0 10.00   4.00 128.78) =  99.992%  kept
        T HG    LEU   71 - HB    ILE   19   8.00 +/- 2.23   0.614% *  0.8756% (0.90   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   LYS+  74 - HB    ILE   19   7.84 +/- 0.83   0.239% *  0.9013% (0.92   1.0 10.00   0.02   8.27) =   0.002%
          QG2   THR   39 - HB    ILE   19   9.79 +/- 1.75   0.057% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   19   9.71 +/- 1.78   0.059% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  14.76 +/- 1.77   0.005% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  17.48 +/- 1.11   0.001% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB    ILE   19  18.50 +/- 2.14   0.001% *  0.0924% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    ILE   19  18.89 +/- 2.08   0.001% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  25.34 +/- 2.64   0.000% *  0.1932% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  18.80 +/- 1.63   0.001% *  0.0243% (0.25   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 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 4.0, residual support = 128.2:
    * O T QD1   ILE   19 - HB    ILE   19   2.88 +/- 0.35  96.579% * 85.7081% (1.00  10.0 10.00   4.00 128.78) =  99.487%  kept
          QG2   VAL   18 - HB    ILE   19   5.63 +/- 0.67   3.035% * 14.0525% (0.73   1.0  1.00   4.52  20.61) =   0.513%  kept
          QG1   VAL   43 - HB    ILE   19   9.25 +/- 1.40   0.181% *  0.0417% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    ILE   19  10.08 +/- 1.15   0.070% *  0.0716% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    ILE   19  10.33 +/- 1.78   0.107% *  0.0265% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB    ILE   19  12.73 +/- 1.59   0.025% *  0.0170% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    ILE   19  16.98 +/- 1.54   0.004% *  0.0827% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.23 A, kept.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 128.8:
    * O T HA    ILE   19 - HG12  ILE   19   3.42 +/- 0.57  95.790% * 98.8520% (1.00  10.0 10.00   5.31 128.78) =  99.996%  kept
        T HA    ILE   19 - HG    LEU   73   8.13 +/- 1.03   1.015% *  0.3228% (0.33   1.0 10.00   0.02   4.00) =   0.003%
          HA    GLU-  25 - HG    LEU   80   8.02 +/- 0.91   0.898% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG    LEU   80  13.50 +/- 1.49   0.055% *  0.4055% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   80   7.73 +/- 0.79   1.074% *  0.0152% (0.15   1.0  1.00   0.02   0.17) =   0.000%
          HA    THR   26 - HG    LEU   73   9.14 +/- 1.25   0.578% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80   9.75 +/- 0.99   0.325% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   73  11.81 +/- 1.31   0.098% *  0.0298% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG12  ILE   19  11.29 +/- 1.24   0.105% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG12  ILE   19  15.17 +/- 0.87   0.017% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG12  ILE   19  18.06 +/- 1.79   0.009% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   80  16.38 +/- 1.61   0.017% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   73  16.65 +/- 1.22   0.011% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  17.28 +/- 0.79   0.008% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  22.10 +/- 1.13   0.002% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.05 A, kept.
 
    Peak 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 128.8:
    * O T HB    ILE   19 - HG12  ILE   19   2.51 +/- 0.25  96.668% * 98.3572% (1.00  10.0 10.00   4.29 128.78) =  99.994%  kept
        T HB    ILE   19 - HG    LEU   73   6.17 +/- 2.02   1.651% *  0.3212% (0.33   1.0 10.00   0.02   4.00) =   0.006%
          HB2   GLN   17 - HG12  ILE   19   6.29 +/- 1.02   0.995% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG12  ILE   19   6.84 +/- 0.97   0.386% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   80   8.12 +/- 1.18   0.150% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG    LEU   80  12.83 +/- 0.98   0.006% *  0.4034% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  11.03 +/- 2.41   0.080% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG12  ILE   19  13.91 +/- 2.12   0.006% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  11.47 +/- 1.33   0.017% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  13.49 +/- 2.86   0.013% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE   19  14.91 +/- 0.95   0.003% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  12.68 +/- 1.33   0.008% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  14.49 +/- 1.28   0.004% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  17.79 +/- 1.47   0.001% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  21.01 +/- 2.22   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  18.02 +/- 1.12   0.001% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  14.48 +/- 1.49   0.004% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  18.02 +/- 1.77   0.001% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  19.01 +/- 2.21   0.001% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  20.01 +/- 1.73   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  20.38 +/- 1.63   0.000% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   73  17.58 +/- 1.62   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  18.96 +/- 1.24   0.001% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  24.35 +/- 1.41   0.000% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  25.40 +/- 2.32   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  21.05 +/- 1.63   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  22.34 +/- 2.55   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  22.19 +/- 1.17   0.000% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  24.26 +/- 2.01   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  24.38 +/- 1.55   0.000% *  0.0090% (0.09   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 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 = 4.29, residual support = 128.8:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  99.480% * 96.9096% (1.00  10.0 10.00   4.29 128.78) =  99.998%  kept
        T HG    LEU   71 - HG12  ILE   19   8.39 +/- 2.65   0.103% *  0.8691% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   71 - HG    LEU   73   5.32 +/- 0.96   0.256% *  0.2838% (0.29   1.0 10.00   0.02   0.02) =   0.001%
        T HG13  ILE   19 - HG    LEU   73   7.52 +/- 1.40   0.027% *  0.3165% (0.33   1.0 10.00   0.02   4.00) =   0.000%
          QG2   THR   39 - HG12  ILE   19   9.57 +/- 2.18   0.008% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   80   9.11 +/- 1.65   0.014% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG12  ILE   19   9.40 +/- 0.96   0.005% *  0.0895% (0.92   1.0  1.00   0.02   8.27) =   0.000%
          QG2   THR   39 - HG    LEU   73   7.72 +/- 0.70   0.017% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   6.18 +/- 0.52   0.060% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   8.34 +/- 0.55   0.009% *  0.0292% (0.30   1.0  1.00   0.02  40.69) =   0.000%
        T HG13  ILE   19 - HG    LEU   80  14.89 +/- 1.15   0.000% *  0.3975% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80  10.20 +/- 2.91   0.011% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG12  ILE   19  10.37 +/- 2.07   0.004% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HG    LEU   80  15.36 +/- 1.15   0.000% *  0.3565% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  11.05 +/- 1.01   0.002% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  13.67 +/- 1.34   0.001% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  15.15 +/- 1.84   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  18.91 +/- 2.68   0.000% *  0.0917% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  13.83 +/- 1.99   0.001% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  18.69 +/- 1.46   0.000% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  15.56 +/- 1.06   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  13.00 +/- 0.84   0.001% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  16.32 +/- 0.94   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  15.31 +/- 2.23   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  15.20 +/- 0.89   0.000% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  19.11 +/- 2.59   0.000% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  15.05 +/- 1.44   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  21.30 +/- 1.75   0.000% *  0.0376% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  20.52 +/- 1.79   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  23.30 +/- 1.40   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  25.98 +/- 2.90   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  22.87 +/- 2.84   0.000% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  23.84 +/- 2.47   0.000% *  0.0079% (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 99 (0.74, 1.42, 27.25 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.08, residual support = 128.8:
    * O T QD1   ILE   19 - HG12  ILE   19   2.15 +/- 0.02  94.385% * 98.4260% (1.00  10.0 10.00   4.08 128.78) =  99.998%  kept
        T QD1   ILE   19 - HG    LEU   73   7.06 +/- 1.28   0.273% *  0.3214% (0.33   1.0 10.00   0.02   4.00) =   0.001%
          QG1   VAL   43 - HG    LEU   73   4.81 +/- 1.27   4.142% *  0.0156% (0.16   1.0  1.00   0.02   8.35) =   0.001%
          QG2   VAL   18 - HG12  ILE   19   5.75 +/- 0.76   0.408% *  0.0715% (0.73   1.0  1.00   0.02  20.61) =   0.000%
          QG1   VAL   41 - HG    LEU   73   5.92 +/- 1.08   0.484% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   80   8.09 +/- 1.08   0.054% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   73   7.59 +/- 0.96   0.075% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   19 - HG    LEU   80  12.78 +/- 1.42   0.003% *  0.4037% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   80   7.76 +/- 1.17   0.061% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG    LEU   80  10.92 +/- 1.66   0.009% *  0.0799% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG12  ILE   19  11.18 +/- 1.25   0.007% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG12  ILE   19  10.50 +/- 1.62   0.011% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG12  ILE   19  13.79 +/- 2.07   0.002% *  0.1948% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73   7.94 +/- 1.14   0.055% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG12  ILE   19  11.13 +/- 2.15   0.011% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   73  10.16 +/- 0.75   0.009% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  12.08 +/- 1.75   0.005% *  0.0293% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  12.47 +/- 0.98   0.003% *  0.0310% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  12.12 +/- 1.00   0.004% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG12  ILE   19  17.54 +/- 1.96   0.000% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  17.27 +/- 1.61   0.000% *  0.0390% (0.40   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 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 128.8:
    * O T HA    ILE   19 - HG13  ILE   19   3.14 +/- 0.56  99.488% * 98.6722% (1.00  10.0 10.00   4.75 128.78) = 100.000%  kept
        T HA    ILE   19 - HG    LEU   71  10.27 +/- 1.63   0.251% *  0.1414% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG13  ILE   19  17.76 +/- 1.68   0.005% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG13  ILE   19  11.42 +/- 1.34   0.126% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG13  ILE   19  15.29 +/- 0.99   0.014% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  11.18 +/- 1.16   0.093% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG    LEU   71  20.68 +/- 1.05   0.002% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  14.52 +/- 1.09   0.018% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG13  ILE   19  22.13 +/- 1.10   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  21.51 +/- 1.02   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.04 A, kept.
 
    Peak 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 128.8:
    * O T HB    ILE   19 - HG13  ILE   19   2.61 +/- 0.28  94.247% * 98.7569% (1.00  10.0 10.00   4.00 128.78) =  99.996%  kept
          HB2   GLN   17 - HG13  ILE   19   6.01 +/- 1.36   3.914% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T HB    ILE   19 - HG    LEU   71   8.00 +/- 2.23   0.585% *  0.1416% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG13  ILE   19   6.86 +/- 0.65   0.375% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   71   9.13 +/- 2.57   0.804% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG13  ILE   19  13.63 +/- 2.03   0.007% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  13.16 +/- 2.83   0.018% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE   19  15.11 +/- 0.94   0.003% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  12.13 +/- 0.81   0.011% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   71  12.53 +/- 1.58   0.016% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG13  ILE   19  25.02 +/- 2.20   0.000% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  17.64 +/- 1.31   0.001% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG13  ILE   19  20.66 +/- 1.59   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  11.90 +/- 1.37   0.014% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  15.64 +/- 1.09   0.003% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  19.63 +/- 1.20   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  24.97 +/- 2.30   0.000% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  19.79 +/- 1.69   0.001% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  20.04 +/- 1.71   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  21.63 +/- 1.25   0.000% *  0.0058% (0.06   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 102 (1.42, 1.25, 27.25 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 128.8:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  99.549% * 97.7565% (1.00  10.0 10.00   4.29 128.78) = 100.000%  kept
        T HG12  ILE   19 - HG    LEU   71   8.39 +/- 2.65   0.103% *  0.1401% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - HG    LEU   71   5.32 +/- 0.96   0.256% *  0.0478% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - HG13  ILE   19   7.52 +/- 1.40   0.027% *  0.3335% (0.34   1.0 10.00   0.02   4.00) =   0.000%
          HB3   LYS+  74 - HG13  ILE   19   7.37 +/- 1.06   0.034% *  0.0553% (0.57   1.0  1.00   0.02   8.27) =   0.000%
          QB    ALA   61 - HG13  ILE   19   8.91 +/- 1.05   0.008% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG13  ILE   19  14.89 +/- 1.15   0.000% *  0.9582% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG13  ILE   19  10.95 +/- 2.30   0.004% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   9.77 +/- 1.18   0.005% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG    LEU   71   8.52 +/- 0.99   0.010% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  15.36 +/- 1.15   0.000% *  0.1374% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  13.31 +/- 1.28   0.001% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  15.29 +/- 1.10   0.000% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  14.08 +/- 1.78   0.001% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  11.64 +/- 1.35   0.002% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  19.44 +/- 3.15   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  12.88 +/- 1.17   0.001% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  14.16 +/- 1.03   0.000% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  21.49 +/- 2.95   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  16.11 +/- 1.10   0.000% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  18.59 +/- 2.88   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  20.19 +/- 2.29   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  15.74 +/- 1.33   0.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  22.58 +/- 1.98   0.000% *  0.0244% (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 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 = 4.0, residual support = 128.8:
    * O T QD1   ILE   19 - HG13  ILE   19   2.15 +/- 0.02  97.979% * 99.4572% (1.00  10.0 10.00   4.00 128.78) =  99.999%  kept
        T QD1   ILE   19 - HG    LEU   71   7.38 +/- 1.70   0.314% *  0.1426% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG13  ILE   19   5.42 +/- 0.61   0.477% *  0.0722% (0.73   1.0  1.00   0.02  20.61) =   0.000%
          QG1   VAL   41 - HG    LEU   71   4.92 +/- 0.79   1.112% *  0.0044% (0.04   1.0  1.00   0.02   4.48) =   0.000%
          QG2   THR   46 - HG13  ILE   19  11.02 +/- 1.39   0.009% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG13  ILE   19  10.41 +/- 1.15   0.010% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71   7.90 +/- 0.95   0.050% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG13  ILE   19  11.00 +/- 1.78   0.009% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   71   9.84 +/- 0.98   0.013% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71   9.22 +/- 1.04   0.020% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  11.99 +/- 1.04   0.004% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  13.62 +/- 1.59   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG13  ILE   19  17.32 +/- 1.58   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  14.10 +/- 1.03   0.001% *  0.0119% (0.12   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 105 (4.18, 0.74, 12.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 128.8:
    *   T HA    ILE   19 - QD1   ILE   19   2.77 +/- 0.60  99.456% * 99.7561% (1.00 10.00   4.75 128.78) = 100.000%  kept
          HA    THR   26 - QD1   ILE   19   9.33 +/- 1.22   0.504% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - QD1   ILE   19  12.71 +/- 1.06   0.031% *  0.0921% (0.92  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QD1   ILE   19  15.60 +/- 1.46   0.007% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - QD1   ILE   19  18.88 +/- 1.44   0.002% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.03 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 128.8:
    * O T HB    ILE   19 - QD1   ILE   19   2.88 +/- 0.35  88.994% * 99.4654% (1.00  10.0 10.00   4.00 128.78) =  99.993%  kept
          HB2   GLN   17 - QD1   ILE   19   5.15 +/- 1.10   7.291% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          QB    GLU-  15 - QD1   ILE   19   5.24 +/- 0.63   3.496% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - QD1   ILE   19  11.76 +/- 1.79   0.046% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE   19  11.29 +/- 2.55   0.146% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE   19  12.47 +/- 1.13   0.017% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  15.37 +/- 1.16   0.005% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   ILE   19  18.12 +/- 1.33   0.002% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  17.28 +/- 1.15   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  21.81 +/- 1.58   0.001% *  0.0484% (0.49   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 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.08, residual support = 128.8:
    * O T HG12  ILE   19 - QD1   ILE   19   2.15 +/- 0.02  99.346% * 97.8860% (1.00  10.0 10.00   4.08 128.78) =  99.999%  kept
        T HG    LEU   73 - QD1   ILE   19   7.06 +/- 1.28   0.277% *  0.3339% (0.34   1.0 10.00   0.02   4.00) =   0.001%
          HB3   LYS+  74 - QD1   ILE   19   6.58 +/- 1.04   0.275% *  0.0554% (0.57   1.0  1.00   0.02   8.27) =   0.000%
          QB    ALA   61 - QD1   ILE   19   7.89 +/- 0.90   0.051% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - QD1   ILE   19  12.78 +/- 1.42   0.003% *  0.9595% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   ILE   19   9.61 +/- 2.03   0.036% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   ILE   19  12.42 +/- 1.05   0.003% *  0.3021% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD1   ILE   19  11.51 +/- 1.42   0.006% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   19  13.20 +/- 1.35   0.003% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  16.99 +/- 2.38   0.001% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  18.86 +/- 2.53   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  19.56 +/- 1.40   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 128.8:
    * O T HG13  ILE   19 - QD1   ILE   19   2.15 +/- 0.02  99.560% * 98.6077% (1.00  10.0 10.00   4.00 128.78) =  99.997%  kept
        T HG    LEU   71 - QD1   ILE   19   7.38 +/- 1.70   0.318% *  0.8843% (0.90   1.0 10.00   0.02   0.02) =   0.003%
          QG2   THR   39 - QD1   ILE   19   8.20 +/- 1.41   0.050% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QD1   ILE   19   8.26 +/- 0.97   0.043% *  0.0910% (0.92   1.0  1.00   0.02   8.27) =   0.000%
          QB    ALA   34 - QD1   ILE   19   8.92 +/- 1.08   0.024% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  13.10 +/- 1.37   0.002% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD1   ILE   19  16.24 +/- 1.65   0.001% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  16.12 +/- 1.38   0.001% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   19  16.12 +/- 1.61   0.001% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  17.78 +/- 1.23   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  22.29 +/- 2.16   0.000% *  0.0195% (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 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 = 14.8:
    * O T QB    ALA   20 - HA    ALA   20   2.12 +/- 0.01  99.997% * 99.6998% (1.00  10.0 10.00   2.31  14.83) = 100.000%  kept
          HB3   LEU   31 - HA    ALA   20  14.61 +/- 0.69   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ALA   20  15.52 +/- 1.18   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  17.18 +/- 1.50   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  17.70 +/- 0.95   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  23.97 +/- 1.50   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  21.39 +/- 2.29   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (4.63, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 14.8:
    * O T HA    ALA   20 - QB    ALA   20   2.12 +/- 0.01  99.993% * 99.9427% (1.00  10.0 10.00   2.31  14.83) = 100.000%  kept
          HA    LEU   71 - QB    ALA   20  10.66 +/- 0.50   0.007% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    ALA   20  18.86 +/- 1.34   0.000% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 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 = 2.67, residual support = 29.3:
    * O T HB2   CYS   21 - HA    CYS   21   2.90 +/- 0.21  99.991% * 99.9059% (1.00  10.0 10.00   2.67  29.34) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  14.15 +/- 0.63   0.008% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  25.32 +/- 1.80   0.000% *  0.0566% (0.57   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 116 (2.60, 4.59, 57.78 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.69, residual support = 29.3:
    * O T HB3   CYS   21 - HA    CYS   21   2.57 +/- 0.17  99.998% * 99.9348% (0.69  10.0 10.00   2.69  29.34) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  15.90 +/- 1.59   0.002% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.53, residual support = 29.3:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00  99.999% * 99.9348% (0.69  10.0 10.00   2.53  29.34) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  13.99 +/- 2.61   0.001% *  0.0652% (0.45   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 121 (3.08, 2.60, 28.30 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.53, residual support = 29.3:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.999% * 99.9059% (0.69  10.0 10.00   2.53  29.34) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  13.40 +/- 1.80   0.001% *  0.0375% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  24.87 +/- 1.85   0.000% *  0.0566% (0.39   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 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 = 34.8:
    * O T HB2   HIS   22 - HA    HIS   22   2.73 +/- 0.34  99.999% * 99.8331% (0.76  10.0 10.00   2.33  34.83) = 100.000%  kept
          HA    LEU   63 - HA    HIS   22  21.00 +/- 1.33   0.001% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HA    HIS   22  22.02 +/- 2.67   0.001% *  0.0425% (0.32   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 125 (3.24, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 34.8:
    * O T HB3   HIS   22 - HA    HIS   22   2.66 +/- 0.25 100.000% * 99.9165% (0.95  10.0 10.00   3.46  34.83) = 100.000%  kept
          HD3   ARG+  54 - HA    HIS   22  21.98 +/- 1.77   0.000% *  0.0835% (0.79   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 126 (4.68, 3.50, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.33, residual support = 34.8:
    * O T HA    HIS   22 - HB2   HIS   22   2.73 +/- 0.34  99.987% * 99.7956% (0.76  10.0 10.00   2.33  34.83) = 100.000%  kept
          HA    VAL   43 - HB2   HIS   22  12.90 +/- 1.07   0.012% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB2   HIS   22  20.80 +/- 1.54   0.001% *  0.1046% (0.79   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 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 = 34.8:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00 100.000% * 99.9165% (0.80  10.0 10.00   4.26  34.83) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  24.02 +/- 2.15   0.000% *  0.0835% (0.67   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 129 (4.68, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 34.8:
    * O T HA    HIS   22 - HB3   HIS   22   2.66 +/- 0.25  99.989% * 99.7956% (0.95  10.0 10.00   3.46  34.83) = 100.000%  kept
          HA    VAL   43 - HB3   HIS   22  13.18 +/- 1.18   0.011% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB3   HIS   22  21.36 +/- 1.44   0.000% *  0.1046% (0.99   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 130 (3.50, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 34.8:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00 100.000% * 99.8331% (0.80  10.0 10.00   4.26  34.83) = 100.000%  kept
          HA    LEU   63 - HB3   HIS   22  22.43 +/- 1.29   0.000% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   HIS   22  21.97 +/- 2.98   0.000% *  0.0425% (0.34   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 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 = 18.4:
    * O T QG2   THR   23 - HA    THR   23   2.97 +/- 0.22  99.718% * 99.3383% (0.80  10.0 10.00   3.25  18.44) = 100.000%  kept
          QG2   THR   77 - HA    THR   23   8.26 +/- 0.60   0.241% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   23  13.32 +/- 1.30   0.016% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    THR   23  13.00 +/- 0.52   0.015% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    THR   23  15.93 +/- 0.99   0.005% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   23  16.06 +/- 2.26   0.006% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  23.53 +/- 0.94   0.000% *  0.0445% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 0.44, support = 2.73, residual support = 18.4:
      O   HB    THR   23 - QG2   THR   23   2.15 +/- 0.01  86.010% * 25.6645% (0.28  10.0  1.00   2.49  18.44) =  69.021%  kept
    * O T HA    THR   23 - QG2   THR   23   2.97 +/- 0.22  13.404% * 73.9129% (0.80  10.0 10.00   3.25  18.44) =  30.978%  kept
          HA    LEU   80 - QG2   THR   23   5.53 +/- 0.66   0.363% *  0.0379% (0.41   1.0  1.00   0.02   6.02) =   0.000%
          HA    ASP-  78 - QB    ALA   91   8.23 +/- 2.37   0.196% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   23   9.40 +/- 1.19   0.017% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QB    ALA   91  13.32 +/- 1.30   0.002% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QG2   THR   39  15.93 +/- 0.99   0.001% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  11.18 +/- 1.13   0.005% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  14.43 +/- 1.86   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  17.33 +/- 0.93   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  18.55 +/- 0.86   0.000% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  22.09 +/- 0.66   0.000% *  0.0204% (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 135 (1.28, 1.28, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   23 - QG2   THR   23  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.05)  kept
          QB    ALA   91 - QB    ALA   91  (0.02)  kept
 
    Peak 136 (3.77, 3.77, 66.14 ppm):
    1 diagonal assignment:
    *     HA    VAL   24 - HA    VAL   24  (1.00)  kept
 
    Peak 137 (1.10, 3.77, 66.14 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 63.1:
    * O T QG1   VAL   24 - HA    VAL   24   2.65 +/- 0.56  99.932% * 99.7332% (1.00  10.0 10.00   3.42  63.10) = 100.000%  kept
          HB3   LEU   31 - HA    VAL   24   9.92 +/- 0.53   0.064% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    VAL   24  16.84 +/- 1.28   0.003% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    VAL   24  25.46 +/- 2.75   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL   24  21.01 +/- 2.34   0.001% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.15 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 63.1:
    * O T HA    VAL   24 - QG1   VAL   24   2.65 +/- 0.56  99.995% * 99.8757% (1.00  10.0 10.00   3.42  63.10) = 100.000%  kept
          HA    LYS+  38 - QG1   VAL   24  16.38 +/- 1.45   0.002% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  16.77 +/- 1.20   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QG1   VAL   24  20.17 +/- 2.00   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.02 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 = 5.14, residual support = 127.1:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.99 +/- 0.03  99.963% * 99.2829% (1.00  10.0 10.00   5.14 127.10) = 100.000%  kept
        T HB2   GLU-  25 - HA    SER   82  13.09 +/- 1.21   0.017% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    GLU-  25  15.33 +/- 0.78   0.006% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU-  25  18.18 +/- 1.28   0.002% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  15.02 +/- 1.26   0.007% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU-  25  20.91 +/- 0.97   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  21.03 +/- 0.58   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  20.18 +/- 1.69   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  23.61 +/- 1.39   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  25.38 +/- 0.64   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  24.88 +/- 1.35   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  27.92 +/- 1.15   0.000% *  0.0110% (0.11   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 142 (2.01, 4.18, 61.45 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.1:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.72 +/- 0.06  99.879% * 98.0202% (1.00  10.0 10.00   5.00 127.10) = 100.000%  kept
        T HB    ILE   19 - HA    GLU-  25  13.21 +/- 1.22   0.009% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    SER   82  12.25 +/- 1.46   0.018% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  25   8.98 +/- 0.63   0.088% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HA    SER   82  20.04 +/- 0.94   0.001% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU-  25  18.49 +/- 1.92   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU-  25  19.80 +/- 0.87   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  17.07 +/- 1.50   0.002% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  25  25.52 +/- 1.27   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  25.64 +/- 1.12   0.000% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  25.45 +/- 1.75   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  22.82 +/- 1.49   0.000% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  25.35 +/- 2.23   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  25.29 +/- 1.38   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  30.51 +/- 1.82   0.000% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  26.76 +/- 2.15   0.000% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  30.67 +/- 1.21   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  30.87 +/- 1.32   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.52, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.1:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.11 +/- 0.18  99.985% * 99.4877% (1.00  10.0 10.00   4.31 127.10) = 100.000%  kept
        T HG2   GLU-  25 - HA    SER   82  12.46 +/- 1.56   0.003% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    SER   82   9.95 +/- 0.38   0.011% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  16.10 +/- 1.32   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  20.19 +/- 1.00   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  19.48 +/- 1.15   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  30.85 +/- 1.63   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  29.59 +/- 1.47   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  29.89 +/- 2.17   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  28.96 +/- 1.95   0.000% *  0.0090% (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 144 (2.33, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 127.1:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.36 +/- 0.06  99.623% * 99.2510% (1.00  10.0 10.00   3.74 127.10) = 100.000%  kept
        T HG3   GLU-  25 - HA    SER   82  12.94 +/- 1.38   0.039% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  25  10.26 +/- 0.94   0.152% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    SER   82   9.90 +/- 0.48   0.161% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU-  25  16.89 +/- 1.08   0.007% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  16.32 +/- 2.13   0.011% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  19.29 +/- 1.88   0.003% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  24.23 +/- 2.03   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  22.64 +/- 1.46   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  25.20 +/- 1.57   0.001% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  22.42 +/- 1.92   0.001% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  27.14 +/- 0.82   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  26.37 +/- 1.43   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  27.83 +/- 1.06   0.000% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.20 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.14, residual support = 127.1:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.99 +/- 0.03  99.966% * 99.2383% (1.00  10.0 10.00   5.14 127.10) = 100.000%  kept
        T HA    SER   82 - HB2   GLU-  25  13.09 +/- 1.21   0.017% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   GLU-  25  13.18 +/- 1.06   0.016% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   GLU-  25  22.69 +/- 1.85   0.001% *  0.0682% (0.69   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 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 = 5.14, residual support = 127.1:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  99.993% * 97.2368% (1.00  10.0 10.00   5.14 127.10) = 100.000%  kept
          HG3   GLN   30 - HB2   GLU-  25   9.07 +/- 0.60   0.006% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB2   GLU-  25  17.64 +/- 1.91   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB2   GLU-  25  12.19 +/- 1.20   0.001% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB2   GLU-  25  18.43 +/- 1.09   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB2   GLU-  25  25.30 +/- 1.89   0.000% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  26.11 +/- 1.31   0.000% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  25.56 +/- 1.21   0.000% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  30.98 +/- 1.93   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 = 4.45, residual support = 127.1:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.96 +/- 0.12  99.996% * 99.8559% (1.00  10.0 10.00   4.45 127.10) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  17.61 +/- 1.13   0.003% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  20.75 +/- 1.20   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  30.91 +/- 1.71   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  29.66 +/- 1.52   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 149 (2.33, 2.20, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.88, residual support = 127.1:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.75 +/- 0.05  99.918% * 99.6757% (1.00  10.0 10.00   3.88 127.10) = 100.000%  kept
          HB2   GLU-  79 - HB2   GLU-  25   9.39 +/- 1.01   0.080% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   GLU-  25  17.62 +/- 1.20   0.002% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  24.00 +/- 2.35   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  22.86 +/- 1.43   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  25.78 +/- 1.56   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  26.39 +/- 1.08   0.000% *  0.0277% (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 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.1:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.72 +/- 0.06  99.976% * 98.4268% (1.00  10.0 10.00   5.00 127.10) = 100.000%  kept
        T HA    SER   82 - HB3   GLU-  25  12.25 +/- 1.46   0.018% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HB3   GLU-  25  14.03 +/- 0.92   0.006% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB3   GLU-  25  22.83 +/- 2.04   0.000% *  0.0676% (0.69   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 151 (2.20, 2.01, 28.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.14, residual support = 127.1:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00 100.000% * 98.0062% (1.00  10.0 10.00   5.14 127.10) = 100.000%  kept
        T QG    GLN   17 - HB3   GLU-  25  17.75 +/- 1.25   0.000% *  0.9607% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB3   GLU-  25  21.80 +/- 0.98   0.000% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU-  25  16.63 +/- 0.88   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  22.81 +/- 0.65   0.000% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  22.20 +/- 1.71   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 = 127.1:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.77 +/- 0.07  99.997% * 99.8559% (1.00  10.0 10.00   4.44 127.10) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  17.27 +/- 1.42   0.002% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  21.00 +/- 1.22   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  31.26 +/- 1.72   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  30.03 +/- 1.49   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 154 (2.33, 2.01, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.1:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.29 +/- 0.03  99.957% * 99.2075% (1.00  10.0 10.00   3.87 127.10) = 100.000%  kept
          HB2   GLU-  79 - HB3   GLU-  25   9.13 +/- 1.34   0.042% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU- 114 - HB3   GLU-  25  25.88 +/- 1.66   0.000% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  18.31 +/- 1.43   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  23.93 +/- 2.57   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  22.69 +/- 1.69   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  26.90 +/- 1.10   0.000% *  0.0276% (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 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.1:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.11 +/- 0.18  99.996% * 99.2383% (1.00  10.0 10.00   4.31 127.10) = 100.000%  kept
        T HA    SER   82 - HG2   GLU-  25  12.46 +/- 1.56   0.003% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HG2   GLU-  25  15.75 +/- 1.10   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG2   GLU-  25  24.55 +/- 1.67   0.000% *  0.0682% (0.69   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 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.45, residual support = 127.1:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.96 +/- 0.12  99.994% * 99.7000% (1.00  10.0 10.00   4.45 127.10) = 100.000%  kept
          HB2   MET   96 - HG2   GLU-  25  17.29 +/- 0.86   0.003% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   GLU-  25  19.20 +/- 1.45   0.001% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   GLU-  25  22.67 +/- 1.05   0.001% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  22.44 +/- 0.79   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  21.83 +/- 1.78   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 157 (2.01, 2.52, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.1:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.77 +/- 0.07  99.954% * 99.4104% (1.00  10.0 10.00   4.44 127.10) = 100.000%  kept
          HG3   GLN   30 - HG2   GLU-  25  10.52 +/- 0.73   0.038% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   GLU-  25  14.51 +/- 1.33   0.006% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLU-  25  19.51 +/- 1.96   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLU-  25  21.00 +/- 1.04   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   GLU-  25  27.16 +/- 1.28   0.000% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  27.02 +/- 1.97   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  27.25 +/- 1.26   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  32.29 +/- 1.87   0.000% *  0.0892% (0.90   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 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 = 127.1:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.998% * 99.6757% (1.00  10.0 10.00   3.31 127.10) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  11.05 +/- 1.07   0.002% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  17.78 +/- 1.27   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  25.58 +/- 2.22   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  24.04 +/- 1.56   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  26.84 +/- 1.64   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  28.67 +/- 0.96   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 = 127.1:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.36 +/- 0.06  99.950% * 98.4268% (1.00  10.0 10.00   3.74 127.10) = 100.000%  kept
        T HA    SER   82 - HG3   GLU-  25  12.94 +/- 1.38   0.039% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG3   GLU-  25  15.81 +/- 1.10   0.011% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG3   GLU-  25  24.78 +/- 1.91   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.13 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.88, residual support = 127.1:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.75 +/- 0.05  99.997% * 99.7000% (1.00  10.0 10.00   3.88 127.10) = 100.000%  kept
          QG    GLN   17 - HG3   GLU-  25  19.26 +/- 1.40   0.001% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  18.35 +/- 0.85   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   GLU-  25  23.53 +/- 1.03   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  23.70 +/- 0.71   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  23.23 +/- 1.77   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 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 = 127.1:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.29 +/- 0.03  99.990% * 98.6730% (1.00  10.0 10.00   3.87 127.10) = 100.000%  kept
          HG3   GLN   30 - HG3   GLU-  25  11.34 +/- 0.61   0.007% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   GLU-  25  14.77 +/- 1.26   0.002% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   GLU-  25  19.80 +/- 1.99   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HG3   GLU-  25  27.89 +/- 1.33   0.000% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   GLU-  25  21.05 +/- 1.13   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  27.74 +/- 1.93   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  28.00 +/- 1.20   0.000% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  32.95 +/- 1.86   0.000% *  0.0885% (0.90   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 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.1:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00 100.000% * 99.8559% (1.00  10.0 10.00   3.31 127.10) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  18.67 +/- 1.32   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  22.90 +/- 1.13   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  33.25 +/- 1.69   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  32.01 +/- 1.48   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 = 3.11, residual support = 35.2:
    * O T HB    THR   26 - HA    THR   26   3.00 +/- 0.08  99.999% * 99.8279% (1.00  10.0 10.00   3.11  35.22) = 100.000%  kept
          HA    ASP-  62 - HA    THR   26  22.50 +/- 1.09   0.001% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HA    THR   26  28.89 +/- 1.42   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 0.60 A, kept.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.11, residual support = 35.2:
    * O T QG2   THR   26 - HA    THR   26   2.67 +/- 0.16  99.962% * 99.3101% (1.00  10.0 10.00   3.11  35.22) = 100.000%  kept
          HB2   LYS+  74 - HA    THR   26  11.17 +/- 1.37   0.035% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    THR   26  17.53 +/- 0.62   0.001% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR   26  20.83 +/- 1.94   0.001% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    THR   26  22.56 +/- 1.55   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  20.23 +/- 1.40   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    THR   26  26.44 +/- 2.40   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  25.99 +/- 2.55   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  24.18 +/- 1.87   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  24.97 +/- 2.03   0.000% *  0.0134% (0.14   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 168 (4.15, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.11, residual support = 35.2:
    * O T HA    THR   26 - HB    THR   26   3.00 +/- 0.08  99.517% * 99.6617% (1.00  10.0 10.00   3.11  35.22) = 100.000%  kept
          HA    ASN   28 - HB    THR   26   7.86 +/- 0.14   0.317% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB    THR   26   9.19 +/- 0.99   0.150% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB    THR   26  13.92 +/- 0.56   0.010% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB    THR   26  17.96 +/- 3.12   0.004% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    THR   26  20.05 +/- 1.81   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  23.38 +/- 0.92   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB    THR   26  27.55 +/- 0.96   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.56 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 = 35.2:
    * O T QG2   THR   26 - HB    THR   26   2.18 +/- 0.00  99.960% * 99.4369% (1.00  10.0 10.00   3.00  35.22) = 100.000%  kept
          HB2   LYS+  74 - HB    THR   26   8.81 +/- 1.43   0.039% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB    THR   26  19.39 +/- 2.18   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  120 - HB    THR   26  23.41 +/- 1.61   0.000% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  17.92 +/- 0.50   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  21.68 +/- 1.45   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  25.81 +/- 2.18   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  20.64 +/- 1.28   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  23.39 +/- 1.80   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  25.48 +/- 2.27   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 171 (4.15, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.11, residual support = 35.2:
    * O T HA    THR   26 - QG2   THR   26   2.67 +/- 0.16  98.590% * 98.6211% (1.00  10.0 10.00   3.11  35.22) = 100.000%  kept
          HA    ILE   19 - QG2   THR   26   6.59 +/- 0.99   0.788% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG2   THR   26   6.43 +/- 0.20   0.569% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG2   THR   26  10.05 +/- 0.61   0.040% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   THR   26  14.24 +/- 2.57   0.010% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QG2   THR   26  18.92 +/- 1.14   0.001% *  0.3364% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - QG2   THR   26  22.43 +/- 1.05   0.000% *  0.8238% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   THR   26  16.80 +/- 1.61   0.003% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.02 A, kept.
 
    Peak 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 35.2:
    * O T HB    THR   26 - QG2   THR   26   2.18 +/- 0.00  99.999% * 99.1149% (1.00  10.0 10.00   3.00  35.22) = 100.000%  kept
        T HA    SER  117 - QG2   THR   26  22.41 +/- 1.20   0.000% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QG2   THR   26  16.39 +/- 0.77   0.001% *  0.0915% (0.92   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 173 (1.50, 1.50, 23.02 ppm):
    1 diagonal assignment:
    *     QG2   THR   26 - QG2   THR   26  (1.00)  kept
 
    Peak 174 (4.49, 4.49, 60.67 ppm):
    1 diagonal assignment:
    *     HA    TRP   27 - HA    TRP   27  (1.00)  kept
 
    Peak 175 (3.56, 4.49, 60.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 108.1:
    * O T HB2   TRP   27 - HA    TRP   27   2.99 +/- 0.03  99.974% * 99.8554% (1.00  10.0 10.00   4.74 108.10) = 100.000%  kept
          HA    THR   77 - HA    TRP   27  12.17 +/- 0.77   0.024% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HA    TRP   27  18.87 +/- 0.87   0.002% *  0.0999% (1.00   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 176 (2.99, 4.49, 60.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 108.1:
    * O T HB3   TRP   27 - HA    TRP   27   2.33 +/- 0.06  99.993% * 99.7166% (1.00  10.0 10.00   4.76 108.10) = 100.000%  kept
          HB2   PHE   97 - HA    TRP   27  14.83 +/- 0.78   0.002% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    TRP   27  14.66 +/- 1.19   0.002% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    TRP   27  16.58 +/- 1.72   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    TRP   27  14.89 +/- 1.01   0.002% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  16.70 +/- 0.81   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 = 4.74, residual support = 108.1:
    * O T HA    TRP   27 - HB2   TRP   27   2.99 +/- 0.03  99.994% * 99.7755% (1.00  10.0 10.00   4.74 108.10) = 100.000%  kept
          HA    ALA   91 - HB2   TRP   27  16.78 +/- 1.51   0.004% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  19.73 +/- 0.89   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  22.84 +/- 1.18   0.001% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 108.1:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  99.999% * 99.7166% (1.00  10.0 10.00   4.97 108.10) = 100.000%  kept
          HB2   PHE   97 - HB2   TRP   27  15.69 +/- 0.77   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  16.52 +/- 1.86   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  15.76 +/- 1.06   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   TRP   27  16.42 +/- 1.05   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  18.29 +/- 0.94   0.000% *  0.0222% (0.22   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 180 (4.49, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 108.1:
    * O T HA    TRP   27 - HB3   TRP   27   2.33 +/- 0.06  99.998% * 99.7755% (1.00  10.0 10.00   4.76 108.10) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  16.24 +/- 1.67   0.001% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  18.68 +/- 0.93   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  21.62 +/- 1.12   0.000% *  0.0525% (0.53   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 181 (3.56, 2.99, 30.32 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 108.1:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.997% * 99.8554% (1.00  10.0 10.00   4.97 108.10) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27   9.96 +/- 0.74   0.003% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  17.15 +/- 0.80   0.000% *  0.0999% (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 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 = 4.39, residual support = 104.9:
    * O T HB2   ASN   28 - HA    ASN   28   3.05 +/- 0.01  99.558% * 99.2152% (1.00  10.0 10.00   4.39 104.88) =  99.999%  kept
        T HB2   ASN   35 - HA    ASN   28   9.13 +/- 1.07   0.176% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    ASN   28   9.07 +/- 1.14   0.188% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   28  10.98 +/- 1.45   0.062% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  13.77 +/- 0.81   0.013% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   28  17.89 +/- 0.67   0.003% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   28  21.18 +/- 1.64   0.001% *  0.0957% (0.97   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 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 104.9:
    * O T HB3   ASN   28 - HA    ASN   28   2.49 +/- 0.10  99.026% * 99.8456% (1.00  10.0 10.00   4.20 104.88) =  99.999%  kept
          HG2   GLN   30 - HA    ASN   28   6.04 +/- 1.03   0.973% *  0.0922% (0.92   1.0  1.00   0.02   7.79) =   0.001%
          QE    LYS+ 121 - HA    ASN   28  21.78 +/- 3.26   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASN   28  21.70 +/- 4.44   0.000% *  0.0175% (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 186 (4.13, 2.93, 38.30 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.39, residual support = 104.9:
    * O T HA    ASN   28 - HB2   ASN   28   3.05 +/- 0.01  91.425% * 99.0365% (1.00  10.0 10.00   4.39 104.88) =  99.997%  kept
          HA    THR   26 - HB2   ASN   28   4.90 +/- 0.32   5.746% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - HB2   ASN   35   5.76 +/- 0.38   2.153% *  0.0291% (0.29   1.0  1.00   0.02  18.77) =   0.001%
        T HA    ASN   28 - HB2   ASN   35   9.13 +/- 1.07   0.162% *  0.3081% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HB2   ASN   35   8.91 +/- 1.78   0.440% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ASN   28  12.29 +/- 0.31   0.022% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   28  13.91 +/- 2.91   0.025% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  12.88 +/- 0.89   0.018% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  14.86 +/- 0.78   0.007% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   28  25.22 +/- 1.26   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  26.04 +/- 1.14   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  25.07 +/- 6.31   0.001% *  0.0162% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  24.98 +/- 1.75   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  28.89 +/- 1.11   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   28  30.36 +/- 4.84   0.000% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  28.01 +/- 1.65   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  23.33 +/- 1.42   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  30.09 +/- 1.44   0.000% *  0.0199% (0.20   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 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 = 5.33, residual support = 104.9:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  99.963% * 99.4888% (1.00  10.0 10.00   5.33 104.88) = 100.000%  kept
          HG2   GLN   30 - HB2   ASN   28   6.95 +/- 0.62   0.031% *  0.0918% (0.92   1.0  1.00   0.02   7.79) =   0.000%
        T HB3   ASN   28 - HB2   ASN   35   9.79 +/- 0.88   0.004% *  0.3095% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLN   30 - HB2   ASN   35  10.70 +/- 1.14   0.002% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   28  24.29 +/- 3.16   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  20.98 +/- 3.69   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  21.00 +/- 5.00   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  24.32 +/- 4.23   0.000% *  0.0174% (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 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 104.9:
    * O T HA    ASN   28 - HB3   ASN   28   2.49 +/- 0.10  99.585% * 99.4977% (1.00  10.0 10.00   4.20 104.88) = 100.000%  kept
          HA    THR   26 - HB3   ASN   28   6.43 +/- 0.32   0.386% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   ASN   28  12.64 +/- 2.84   0.018% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   ASN   28  11.86 +/- 0.25   0.009% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  15.30 +/- 0.89   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB3   ASN   28  25.10 +/- 1.51   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  26.69 +/- 1.01   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  28.61 +/- 1.29   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  30.05 +/- 5.04   0.000% *  0.0523% (0.53   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 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.33, residual support = 104.9:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  99.990% * 99.2152% (1.00  10.0 10.00   5.33 104.88) = 100.000%  kept
        T HB2   ASN   35 - HB3   ASN   28   9.79 +/- 0.88   0.004% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   28   9.93 +/- 1.28   0.004% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASN   28  11.90 +/- 1.61   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  14.89 +/- 0.91   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  18.76 +/- 0.74   0.000% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  23.02 +/- 1.66   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 = 94.8:
    * O T HB2   GLU-  29 - HA    GLU-  29   3.01 +/- 0.10  99.285% * 98.3644% (1.00  10.0 10.00   4.65  94.79) =  99.999%  kept
        T HB2   GLU-  29 - HA    GLN   32   8.11 +/- 0.26   0.263% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLU-  29 - HA    LYS+  33   8.85 +/- 0.53   0.168% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    GLU-  29  15.49 +/- 1.02   0.006% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    LYS+  33  14.64 +/- 1.13   0.009% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   32  10.77 +/- 2.09   0.098% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  11.19 +/- 1.96   0.055% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  29  15.36 +/- 1.99   0.007% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLU-  29  16.12 +/- 2.61   0.007% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33  12.48 +/- 2.43   0.041% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLU-  29  15.45 +/- 2.30   0.009% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  14.49 +/- 3.01   0.018% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  17.14 +/- 0.99   0.003% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  16.69 +/- 0.77   0.004% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  20.65 +/- 1.60   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  22.36 +/- 1.03   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  16.27 +/- 0.96   0.004% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  15.80 +/- 2.32   0.007% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  17.61 +/- 2.75   0.004% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  24.89 +/- 2.12   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  26.56 +/- 1.52   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  17.78 +/- 0.87   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  21.06 +/- 1.13   0.001% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  20.61 +/- 1.30   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  18.04 +/- 0.81   0.002% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  23.55 +/- 2.19   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  20.89 +/- 0.75   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  21.79 +/- 0.84   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  24.35 +/- 2.27   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  22.49 +/- 1.69   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  24.64 +/- 1.55   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  28.21 +/- 1.85   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  29.33 +/- 1.65   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.33 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.829, support = 5.13, residual support = 94.0:
      O   HB3   GLU-  29 - HA    GLU-  29   2.62 +/- 0.08  39.278% * 44.1537% (0.80  10.0  1.00   5.14  94.79) =  81.690%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.51 +/- 0.17   6.749% * 55.1414% (1.00  10.0 10.00   5.27  94.79) =  17.529%  kept
          QB    GLU-  36 - HA    LYS+  33   2.50 +/- 0.27  52.737% *  0.3143% (0.13   1.0  1.00   0.85   0.02) =   0.781%  kept
          QB    GLU-  36 - HA    GLN   32   4.92 +/- 0.34   0.966% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - HA    LYS+  33  10.17 +/- 0.71   0.012% *  0.1512% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  29   8.26 +/- 0.50   0.040% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  33   7.66 +/- 0.66   0.072% *  0.0121% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   32   7.33 +/- 0.34   0.082% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    LYS+  33   8.77 +/- 0.20   0.028% *  0.0110% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   32   8.91 +/- 0.22   0.025% *  0.0124% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32  10.45 +/- 0.24   0.010% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  29  15.09 +/- 0.30   0.001% *  0.0400% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  16.05 +/- 1.05   0.001% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  24.26 +/- 0.95   0.000% *  0.0522% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  20.20 +/- 1.03   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  21.35 +/- 1.04   0.000% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  26.56 +/- 1.22   0.000% *  0.0117% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  28.79 +/- 1.02   0.000% *  0.0143% (0.26   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 195 (2.43, 4.00, 59.66 ppm):
    21 chemical-shift based assignments, quality = 0.998, support = 4.65, residual support = 94.8:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.27 +/- 0.30  99.820% * 99.0116% (1.00  10.0 10.00   4.65  94.79) = 100.000%  kept
        T HG2   GLU-  29 - HA    GLN   32   7.43 +/- 0.23   0.118% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU-  29 - HA    LYS+  33   9.15 +/- 0.80   0.053% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  29  15.36 +/- 1.63   0.002% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  16.60 +/- 1.76   0.001% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  18.96 +/- 0.57   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  16.96 +/- 1.30   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  19.83 +/- 1.60   0.000% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  16.34 +/- 1.55   0.001% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  25.36 +/- 1.13   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  26.33 +/- 2.22   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  17.96 +/- 1.17   0.001% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  20.85 +/- 0.82   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.47 +/- 0.86   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  22.01 +/- 0.74   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  23.89 +/- 1.51   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  26.26 +/- 2.17   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  25.67 +/- 1.35   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.34 +/- 0.83   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  26.83 +/- 2.27   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  23.03 +/- 1.08   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.03 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.65, residual support = 94.8:
    * O T HA    GLU-  29 - HB2   GLU-  29   3.01 +/- 0.10  99.538% * 98.1508% (1.00  10.0 10.00   4.65  94.79) =  99.997%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.85 +/- 0.53   0.168% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HB2   GLU-  29   8.11 +/- 0.26   0.264% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   GLU-  29  14.05 +/- 1.25   0.013% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLU-  29  14.38 +/- 1.57   0.011% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   GLU-  29  16.33 +/- 0.86   0.004% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  21.86 +/- 1.68   0.001% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  21.47 +/- 1.26   0.001% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  27.49 +/- 1.84   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  25.86 +/- 1.75   0.000% *  0.0274% (0.28   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 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 = 0.842, support = 4.35, residual support = 94.8:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  82.537% * 44.1051% (0.80  10.0  1.00   4.30  94.79) =  79.103%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.27 +/- 0.01  17.460% * 55.0806% (1.00  10.0 10.00   4.57  94.79) =  20.897%  kept
        T HB3   GLU-  79 - HB2   GLU-  29  13.92 +/- 1.07   0.000% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB2   GLU-  29  10.03 +/- 0.51   0.002% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   GLU-  29  23.29 +/- 0.94   0.000% *  0.5210% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  16.91 +/- 0.34   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 = 4.0, residual support = 94.8:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.89 +/- 0.04  99.990% * 99.6674% (1.00  10.0 10.00   4.00  94.79) = 100.000%  kept
          HB3   ASP-  86 - HB2   GLU-  29  15.57 +/- 1.55   0.005% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  17.79 +/- 0.60   0.002% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  17.23 +/- 1.16   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   GLU-  29  24.19 +/- 1.13   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  25.31 +/- 2.22   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  23.13 +/- 0.90   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.65, residual support = 94.8:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.27 +/- 0.30  99.821% * 98.1508% (1.00  10.0 10.00   4.65  94.79) =  99.999%  kept
        T HA    GLN   32 - HG2   GLU-  29   7.43 +/- 0.23   0.118% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HG2   GLU-  29   9.15 +/- 0.80   0.053% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   GLU-  29  16.48 +/- 1.58   0.004% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLU-  29  14.45 +/- 1.42   0.002% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLU-  29  17.88 +/- 1.21   0.002% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  23.67 +/- 1.72   0.000% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  21.87 +/- 1.26   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  29.37 +/- 2.09   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  27.72 +/- 1.81   0.000% *  0.0274% (0.28   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 205 (2.25, 2.43, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 94.8:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.89 +/- 0.04  99.977% * 99.5124% (1.00  10.0 10.00   4.00  94.79) = 100.000%  kept
          QG    GLU-  14 - HG2   GLU-  29  16.60 +/- 2.80   0.005% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   GLU-  29  16.57 +/- 1.54   0.004% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  16.71 +/- 1.19   0.003% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  29  17.41 +/- 2.02   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG2   GLU-  29  16.40 +/- 2.26   0.005% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  17.49 +/- 1.11   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  20.63 +/- 1.61   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  23.91 +/- 1.00   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  26.19 +/- 2.31   0.000% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  26.90 +/- 1.46   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.46 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.992, support = 4.33, residual support = 94.8:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  95.166% * 55.3193% (1.00  10.0 10.00   4.33  94.79) =  96.095%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.88 +/- 0.04   4.830% * 44.2962% (0.80  10.0 10.00   4.30  94.79) =   3.905%  kept
        T QB    GLU-  36 - HG2   GLU-  29   9.88 +/- 0.65   0.003% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  15.37 +/- 1.27   0.000% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  29  17.13 +/- 0.50   0.000% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  24.17 +/- 0.93   0.000% *  0.0523% (0.95   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 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 = 0.969, support = 4.84, residual support = 156.2:
    * O T HB2   GLN   30 - HA    GLN   30   2.66 +/- 0.19  73.923% * 53.1933% (1.00  10.0 10.00   4.81 156.16) =  76.588%  kept
      O T HG3   GLN   30 - HA    GLN   30   3.37 +/- 0.58  26.051% * 46.1414% (0.87  10.0 10.00   4.94 156.16) =  23.412%  kept
          HB3   GLU- 100 - HA    GLN   30  14.17 +/- 2.27   0.004% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLN   30  11.69 +/- 1.96   0.017% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HA    GLN   30  20.53 +/- 1.51   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  17.35 +/- 1.59   0.001% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLN   30  14.82 +/- 0.93   0.003% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  22.88 +/- 2.60   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  23.30 +/- 1.42   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  28.57 +/- 2.19   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  26.66 +/- 1.67   0.000% *  0.0461% (0.87   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 210 (1.89, 3.84, 58.37 ppm):
    12 chemical-shift based assignments, quality = 0.993, support = 5.15, residual support = 154.7:
    * O T HB3   GLN   30 - HA    GLN   30   2.85 +/- 0.21  66.989% * 97.6674% (1.00  10.0 10.00   5.18 156.16) =  99.087%  kept
          QB    LYS+  33 - HA    GLN   30   3.35 +/- 0.64  32.997% *  1.8265% (0.25   1.0  1.00   1.50   0.17) =   0.913%  kept
          HB3   LYS+  38 - HA    GLN   30  13.42 +/- 0.44   0.006% *  0.0924% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  17.84 +/- 3.36   0.003% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  17.38 +/- 1.13   0.001% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  17.92 +/- 0.83   0.001% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  23.80 +/- 1.76   0.000% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  24.11 +/- 1.53   0.000% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   30  23.72 +/- 1.09   0.000% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  19.18 +/- 1.30   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  24.05 +/- 0.95   0.000% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  25.73 +/- 1.68   0.000% *  0.0151% (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 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.78, residual support = 156.2:
    * O T HG2   GLN   30 - HA    GLN   30   3.07 +/- 0.72  99.156% * 99.8053% (1.00  10.0 10.00   5.78 156.16) =  99.999%  kept
          HB3   ASN   28 - HA    GLN   30   7.57 +/- 0.11   0.837% *  0.0921% (0.92   1.0  1.00   0.02   7.79) =   0.001%
          HB3   HIS  122 - HA    GLN   30  19.89 +/- 4.13   0.005% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    GLN   30  21.35 +/- 3.30   0.002% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.06 A, kept.
 
    Peak 212 (3.84, 2.04, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.81, residual support = 156.2:
    * O T HA    GLN   30 - HB2   GLN   30   2.66 +/- 0.19  99.805% * 99.6678% (1.00  10.0 10.00   4.81 156.16) = 100.000%  kept
          HB    THR   39 - HB2   GLN   30   8.40 +/- 0.70   0.119% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   GLN   30   9.47 +/- 1.05   0.059% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   GLN   30  14.13 +/- 2.57   0.010% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   GLN   30  15.12 +/- 1.61   0.004% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  19.81 +/- 1.59   0.001% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  24.74 +/- 1.47   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  18.71 +/- 1.62   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  21.42 +/- 1.08   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.03, residual support = 156.2:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  99.731% * 98.9590% (1.00  10.0 10.00   4.03 156.16) = 100.000%  kept
          QB    LYS+  33 - HB2   GLN   30   4.87 +/- 0.50   0.268% *  0.0247% (0.25   1.0  1.00   0.02   0.17) =   0.000%
        T QB    LYS+ 106 - HB2   GLN   30  15.33 +/- 1.12   0.000% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   GLN   30  13.66 +/- 0.72   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  16.61 +/- 1.02   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  21.70 +/- 1.58   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  23.54 +/- 1.64   0.000% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  21.41 +/- 1.73   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  21.71 +/- 0.96   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  17.17 +/- 1.41   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  18.92 +/- 3.19   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  21.95 +/- 1.04   0.000% *  0.0305% (0.31   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 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.6, residual support = 156.2:
    * O T HG2   GLN   30 - HB2   GLN   30   2.86 +/- 0.25  99.727% * 99.8053% (1.00  10.0 10.00   5.60 156.16) = 100.000%  kept
          HB3   ASN   28 - HB2   GLN   30   7.81 +/- 0.62   0.267% *  0.0921% (0.92   1.0  1.00   0.02   7.79) =   0.000%
          QE    LYS+ 121 - HB2   GLN   30  19.70 +/- 3.23   0.002% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   GLN   30  18.13 +/- 3.94   0.004% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.18, residual support = 156.2:
    * O T HA    GLN   30 - HB3   GLN   30   2.85 +/- 0.21  99.786% * 99.5115% (1.00  10.0 10.00   5.18 156.16) = 100.000%  kept
          HB    THR   39 - HB3   GLN   30   9.18 +/- 1.21   0.130% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB3   GLN   30  10.18 +/- 0.83   0.058% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   GLN   30  14.32 +/- 1.62   0.009% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB3   GLN   30  14.58 +/- 2.60   0.014% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   GLN   30  21.63 +/- 1.12   0.001% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  19.74 +/- 1.51   0.001% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  18.34 +/- 1.65   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  24.56 +/- 1.42   0.000% *  0.0986% (0.99   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 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.99, support = 4.12, residual support = 156.2:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  91.192% * 53.1733% (1.00  10.0 10.00   4.03 156.16) =  92.272%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.64 +/- 0.22   8.805% * 46.1240% (0.87  10.0  1.00   5.19 156.16) =   7.728%  kept
          HB3   GLU- 100 - HB3   GLN   30  14.32 +/- 2.31   0.000% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   GLN   30  12.19 +/- 2.05   0.002% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLN   30  24.45 +/- 1.55   0.000% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  14.14 +/- 0.71   0.000% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  17.26 +/- 1.70   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  18.06 +/- 1.43   0.000% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  21.23 +/- 2.65   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  20.94 +/- 1.50   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  26.33 +/- 2.02   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 = 5.93, residual support = 156.2:
    * O T HG2   GLN   30 - HB3   GLN   30   2.59 +/- 0.25  99.742% * 99.8053% (1.00  10.0 10.00   5.93 156.16) = 100.000%  kept
          HB3   ASN   28 - HB3   GLN   30   7.11 +/- 0.63   0.255% *  0.0921% (0.92   1.0  1.00   0.02   7.79) =   0.000%
          HB3   HIS  122 - HB3   GLN   30  18.71 +/- 4.27   0.002% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB3   GLN   30  20.12 +/- 3.24   0.001% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.84, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.78, residual support = 156.2:
    * O T HA    GLN   30 - HG2   GLN   30   3.07 +/- 0.72  99.597% * 99.6678% (1.00  10.0 10.00   5.78 156.16) = 100.000%  kept
          HB    THR   39 - HG2   GLN   30  10.05 +/- 0.75   0.202% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG2   GLN   30  14.61 +/- 2.15   0.052% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG2   GLN   30  10.83 +/- 0.69   0.088% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG2   GLN   30  13.92 +/- 2.89   0.048% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLN   30  19.78 +/- 1.48   0.004% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  18.96 +/- 2.08   0.007% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  24.70 +/- 1.43   0.001% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  21.66 +/- 1.06   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 221 (2.04, 2.73, 33.78 ppm):
    11 chemical-shift based assignments, quality = 0.876, support = 6.39, residual support = 156.2:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  94.025% * 46.1414% (0.87  10.0 10.00   6.45 156.16) =  93.177%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.86 +/- 0.25   5.973% * 53.1933% (1.00  10.0 10.00   5.60 156.16) =   6.823%  kept
        T HB2   PRO   93 - HG2   GLN   30  18.34 +/- 1.71   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLN   30  11.86 +/- 1.84   0.002% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  15.59 +/- 2.10   0.000% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  13.60 +/- 1.04   0.000% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  17.65 +/- 1.70   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  21.85 +/- 2.40   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  21.85 +/- 1.96   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  27.05 +/- 2.30   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  24.43 +/- 1.56   0.000% *  0.0461% (0.87   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 222 (1.89, 2.73, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.93, residual support = 156.2:
    * O T HB3   GLN   30 - HG2   GLN   30   2.59 +/- 0.25  98.408% * 99.4599% (1.00  10.0 10.00   5.93 156.16) = 100.000%  kept
          QB    LYS+  33 - HG2   GLN   30   5.75 +/- 0.60   1.580% *  0.0248% (0.25   1.0  1.00   0.02   0.17) =   0.000%
          HB3   LYS+  38 - HG2   GLN   30  15.30 +/- 0.55   0.003% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  16.37 +/- 1.64   0.002% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  16.01 +/- 1.32   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  18.57 +/- 3.52   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  21.93 +/- 1.91   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  21.92 +/- 1.62   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   GLN   30  22.00 +/- 1.01   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  18.59 +/- 1.79   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  21.89 +/- 1.66   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  23.48 +/- 1.51   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 231.6:
    * O T HB2   LEU   31 - HA    LEU   31   3.01 +/- 0.03  99.544% * 99.2507% (1.00  10.0 10.00   6.00 231.60) = 100.000%  kept
          HG    LEU   98 - HA    LEU   31   9.00 +/- 1.18   0.235% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   31  10.71 +/- 1.42   0.094% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   31   9.78 +/- 0.58   0.091% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   31  13.89 +/- 0.69   0.011% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LEU   31  14.46 +/- 0.80   0.009% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LEU   31  17.15 +/- 1.70   0.004% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   31  15.34 +/- 0.85   0.006% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   31  20.48 +/- 4.64   0.002% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  17.37 +/- 1.24   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  20.13 +/- 1.12   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  27.20 +/- 2.67   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.13 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.6:
    * O T HB3   LEU   31 - HA    LEU   31   2.47 +/- 0.12  99.954% * 99.6763% (1.00  10.0 10.00   6.00 231.60) = 100.000%  kept
          QG1   VAL   24 - HA    LEU   31   9.92 +/- 1.14   0.035% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LEU   31  12.38 +/- 0.66   0.007% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LEU   31  19.28 +/- 2.76   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  16.29 +/- 0.97   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  16.98 +/- 0.92   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  21.41 +/- 3.23   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  26.46 +/- 2.31   0.000% *  0.0564% (0.57   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 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.93, residual support = 231.5:
    * O T HG    LEU   31 - HA    LEU   31   3.21 +/- 0.44  59.473% * 99.6594% (0.80  10.0 10.00   5.93 231.60) =  99.974%  kept
          QG1   VAL   41 - HA    LEU   31   3.61 +/- 0.60  37.217% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.019%
          QD2   LEU   73 - HA    LEU   31   5.85 +/- 1.11   3.307% *  0.1149% (0.92   1.0  1.00   0.02   3.24) =   0.006%
          QD1   ILE   56 - HA    LEU   31  19.18 +/- 1.42   0.002% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    LEU   31  20.67 +/- 2.89   0.001% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.13 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.6:
    *   T QD1   LEU   31 - HA    LEU   31   3.63 +/- 0.16 100.000% *100.0000% (1.00 10.00   4.85 231.60) = 100.000%  kept
    Distance limit 3.32 A violated in 0 structures by 0.32 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.6:
    *   T QD2   LEU   31 - HA    LEU   31   2.22 +/- 0.53  99.625% * 99.6345% (1.00 10.00   5.74 231.60) =  99.999%  kept
        T QG2   VAL   43 - HA    LEU   31   7.27 +/- 0.81   0.336% *  0.2484% (0.25 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HA    LEU   31  10.61 +/- 1.16   0.034% *  0.0723% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HA    LEU   31  13.90 +/- 1.78   0.005% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.07 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.6:
    * O T HA    LEU   31 - HB2   LEU   31   3.01 +/- 0.03 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.60) = 100.000%  kept
    Distance limit 3.51 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 = 231.6:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  99.988% * 99.6763% (1.00  10.0 10.00   6.00 231.60) = 100.000%  kept
          QG1   VAL   24 - HB2   LEU   31   8.53 +/- 1.17   0.011% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  12.97 +/- 0.79   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  21.44 +/- 2.66   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  17.59 +/- 1.12   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  18.14 +/- 0.99   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  23.55 +/- 3.22   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  28.15 +/- 2.41   0.000% *  0.0564% (0.57   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 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.96, residual support = 231.6:
    * O T HG    LEU   31 - HB2   LEU   31   2.57 +/- 0.30  98.119% * 99.6594% (0.80  10.0 10.00   5.96 231.60) =  99.999%  kept
          QG1   VAL   41 - HB2   LEU   31   5.39 +/- 0.49   1.636% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - HB2   LEU   31   7.54 +/- 1.19   0.245% *  0.1149% (0.92   1.0  1.00   0.02   3.24) =   0.000%
          QD1   ILE   56 - HB2   LEU   31  20.47 +/- 1.45   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB2   LEU   31  22.73 +/- 2.91   0.000% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 231.6:
    * O T QD1   LEU   31 - HB2   LEU   31   2.48 +/- 0.24 100.000% *100.0000% (1.00  10.0 10.00   4.87 231.60) = 100.000%  kept
    Distance limit 3.25 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 = 231.6:
    * O T QD2   LEU   31 - HB2   LEU   31   2.94 +/- 0.37  99.481% * 99.6345% (1.00  10.0 10.00   5.76 231.60) =  99.999%  kept
        T QG2   VAL   43 - HB2   LEU   31   7.80 +/- 0.61   0.367% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB2   LEU   31   9.82 +/- 1.30   0.135% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB2   LEU   31  13.70 +/- 1.81   0.017% *  0.0447% (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 236 (3.61, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.6:
    * O T HA    LEU   31 - HB3   LEU   31   2.47 +/- 0.12 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.60) = 100.000%  kept
    Distance limit 3.22 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 = 231.6:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  99.984% * 99.2507% (1.00  10.0 10.00   6.00 231.60) = 100.000%  kept
          HG    LEU   98 - HB3   LEU   31   8.84 +/- 1.17   0.009% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   31  11.08 +/- 1.51   0.003% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   31  10.25 +/- 0.81   0.003% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  13.61 +/- 0.65   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  15.59 +/- 0.96   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  14.88 +/- 0.97   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  18.84 +/- 1.73   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  16.53 +/- 1.43   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  21.71 +/- 4.71   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  20.84 +/- 1.11   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  27.65 +/- 2.74   0.000% *  0.0984% (0.99   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 238 (1.12, 1.12, 40.94 ppm):
    1 diagonal assignment:
    *     HB3   LEU   31 - HB3   LEU   31  (1.00)  kept
 
    Peak 239 (0.79, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.95, residual support = 231.6:
    * O T HG    LEU   31 - HB3   LEU   31   2.73 +/- 0.31  89.646% * 98.0242% (0.80  10.0 10.00   5.95 231.60) =  99.992%  kept
        T QD2   LEU   73 - HB3   LEU   31   7.61 +/- 1.09   0.312% *  1.1301% (0.92   1.0 10.00   0.02   3.24) =   0.004%
          QG1   VAL   41 - HB3   LEU   31   4.25 +/- 0.67  10.040% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 121 - HB3   LEU   31  21.45 +/- 3.23   0.001% *  0.6931% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   31  20.09 +/- 1.58   0.001% *  0.1221% (1.00   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 240 (0.00, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 231.6:
    * O T QD1   LEU   31 - HB3   LEU   31   2.34 +/- 0.38 100.000% *100.0000% (1.00  10.0 10.00   4.87 231.60) = 100.000%  kept
    Distance limit 3.14 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 = 231.6:
    * O T QD2   LEU   31 - HB3   LEU   31   2.80 +/- 0.24  99.597% * 99.6345% (1.00  10.0 10.00   5.76 231.60) =  99.999%  kept
        T QG2   VAL   43 - HB3   LEU   31   7.73 +/- 0.71   0.326% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB3   LEU   31  10.16 +/- 1.33   0.066% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB3   LEU   31  13.56 +/- 1.79   0.010% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 242 (3.61, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.93, residual support = 231.6:
    * O T HA    LEU   31 - HG    LEU   31   3.21 +/- 0.44 100.000% *100.0000% (0.80  10.0 10.00   5.93 231.60) = 100.000%  kept
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (1.33, 0.79, 27.16 ppm):
    12 chemical-shift based assignments, quality = 0.801, support = 5.96, residual support = 231.6:
    * O T HB2   LEU   31 - HG    LEU   31   2.57 +/- 0.30  99.469% * 99.2507% (0.80  10.0 10.00   5.96 231.60) = 100.000%  kept
          HG    LEU   98 - HG    LEU   31   8.27 +/- 1.49   0.448% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   31  12.12 +/- 1.82   0.035% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   31  11.30 +/- 0.90   0.015% *  0.0958% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   31  12.24 +/- 1.06   0.015% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG    LEU   31  13.71 +/- 0.82   0.006% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   31  13.08 +/- 0.97   0.007% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  15.16 +/- 1.22   0.003% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG    LEU   31  17.72 +/- 1.52   0.001% *  0.0890% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   31  21.77 +/- 4.40   0.001% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  18.88 +/- 1.09   0.001% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  26.22 +/- 2.77   0.000% *  0.0984% (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 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.95, residual support = 231.6:
    * O T HB3   LEU   31 - HG    LEU   31   2.73 +/- 0.31  99.508% * 99.4283% (0.80  10.0 10.00   5.95 231.60) = 100.000%  kept
          QG1   VAL   24 - HG    LEU   31   7.70 +/- 1.15   0.462% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG    LEU   31  12.04 +/- 1.00   0.023% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HG    LEU   31  22.00 +/- 3.40   0.000% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG    LEU   31  19.58 +/- 2.74   0.001% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  15.88 +/- 1.11   0.003% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  16.37 +/- 0.89   0.003% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG    LEU   31  26.05 +/- 2.33   0.000% *  0.0563% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 245 (0.79, 0.79, 27.16 ppm):
    1 diagonal assignment:
    *     HG    LEU   31 - HG    LEU   31  (0.64)  kept
 
    Peak 246 (0.00, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.93, residual support = 231.6:
    * O T QD1   LEU   31 - HG    LEU   31   2.11 +/- 0.02 100.000% *100.0000% (0.80  10.0 10.00   4.93 231.60) = 100.000%  kept
    Distance limit 3.18 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 = 5.82, residual support = 231.6:
    * O T QD2   LEU   31 - HG    LEU   31   2.12 +/- 0.01  99.671% * 99.6345% (0.80  10.0 10.00   5.82 231.60) =  99.999%  kept
        T QG2   VAL   43 - HG    LEU   31   6.04 +/- 0.85   0.279% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HG    LEU   31   8.35 +/- 1.27   0.045% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HG    LEU   31  11.99 +/- 1.78   0.004% *  0.0447% (0.36   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 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.6:
    *   T HA    LEU   31 - QD1   LEU   31   3.63 +/- 0.16 100.000% *100.0000% (1.00 10.00   4.85 231.60) = 100.000%  kept
    Distance limit 3.72 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 = 231.6:
    * O T HB2   LEU   31 - QD1   LEU   31   2.48 +/- 0.24  98.911% * 99.2507% (1.00  10.0 10.00   4.87 231.60) =  99.999%  kept
          HG    LEU   98 - QD1   LEU   31   6.48 +/- 1.22   0.937% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD1   LEU   31   9.19 +/- 0.58   0.045% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   31  10.15 +/- 1.10   0.033% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   31  10.57 +/- 0.65   0.021% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   31  10.50 +/- 0.82   0.023% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   31  11.69 +/- 0.79   0.011% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   31  11.98 +/- 1.16   0.012% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD1   LEU   31  15.29 +/- 1.45   0.003% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   31  18.49 +/- 3.64   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   31  15.73 +/- 0.83   0.002% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  21.66 +/- 2.29   0.000% *  0.0984% (0.99   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 250 (1.12, 0.00, 23.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 231.6:
    * O T HB3   LEU   31 - QD1   LEU   31   2.34 +/- 0.38  97.741% * 99.6763% (1.00  10.0 10.00   4.87 231.60) =  99.999%  kept
          QG1   VAL   24 - QD1   LEU   31   6.28 +/- 1.32   2.226% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD1   LEU   31  10.63 +/- 0.71   0.023% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD1   LEU   31  16.59 +/- 2.46   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  13.16 +/- 1.07   0.004% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  13.56 +/- 1.02   0.003% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   LEU   31  18.41 +/- 2.83   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  21.89 +/- 2.25   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 231.6:
    * O T HG    LEU   31 - QD1   LEU   31   2.11 +/- 0.02  95.709% * 99.6594% (0.80  10.0 10.00   4.93 231.60) =  99.998%  kept
          QG1   VAL   41 - QD1   LEU   31   4.07 +/- 0.71   4.079% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - QD1   LEU   31   6.31 +/- 1.01   0.210% *  0.1149% (0.92   1.0  1.00   0.02   3.24) =   0.000%
          QD1   ILE   56 - QD1   LEU   31  15.71 +/- 1.40   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD1   LEU   31  17.66 +/- 2.59   0.000% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 231.6:
    * O T QD2   LEU   31 - QD1   LEU   31   2.08 +/- 0.04  99.177% * 99.6345% (1.00  10.0 10.00   4.62 231.60) =  99.998%  kept
        T QG2   VAL   43 - QD1   LEU   31   5.07 +/- 0.50   0.585% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - QD1   LEU   31   6.55 +/- 1.15   0.222% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - QD1   LEU   31   9.53 +/- 1.52   0.016% *  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 = 231.6:
    *   T HA    LEU   31 - QD2   LEU   31   2.22 +/- 0.53  99.663% * 99.9324% (1.00 10.00   5.74 231.60) = 100.000%  kept
        T HA    LEU   31 - QG2   VAL   43   7.27 +/- 0.81   0.337% *  0.0676% (0.07 10.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.06 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.6:
    * O T HB2   LEU   31 - QD2   LEU   31   2.94 +/- 0.37  87.755% * 98.7715% (1.00  10.0 10.00   5.76 231.60) =  99.998%  kept
          HG    LEU   98 - QD2   LEU   31   6.54 +/- 1.10   1.553% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   31 - QG2   VAL   43   7.80 +/- 0.61   0.327% *  0.0668% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QG2   VAL   43   6.00 +/- 1.28   5.669% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - QD2   LEU   31  10.95 +/- 0.83   0.042% *  0.4061% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QG2   VAL   43   5.79 +/- 0.55   2.360% *  0.0054% (0.05   1.0  1.00   0.02  15.39) =   0.000%
          HG2   LYS+  99 - QD2   LEU   31   9.67 +/- 1.24   0.121% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD2   LEU   31   9.47 +/- 0.85   0.098% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QG2   VAL   43   6.80 +/- 1.11   1.133% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   31   9.96 +/- 0.97   0.101% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD2   LEU   31  10.56 +/- 0.87   0.057% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD2   LEU   31  13.74 +/- 1.74   0.017% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   7.90 +/- 0.98   0.426% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   31  12.79 +/- 1.05   0.017% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43  10.65 +/- 1.30   0.071% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   31  17.38 +/- 3.52   0.005% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43   9.76 +/- 1.12   0.113% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  15.09 +/- 0.95   0.006% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43  10.14 +/- 0.95   0.080% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  11.72 +/- 1.11   0.027% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  21.31 +/- 2.09   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  16.81 +/- 2.25   0.007% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  14.22 +/- 0.89   0.008% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  16.52 +/- 2.59   0.004% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.6:
    * O T HB3   LEU   31 - QD2   LEU   31   2.80 +/- 0.24  94.673% * 99.5873% (1.00  10.0 10.00   5.76 231.60) =  99.999%  kept
          QG1   VAL   24 - QD2   LEU   31   6.74 +/- 1.27   1.825% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   31 - QG2   VAL   43   7.73 +/- 0.71   0.303% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   VAL   43   6.38 +/- 1.57   2.447% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD2   LEU   31   9.43 +/- 0.43   0.073% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43   7.72 +/- 0.98   0.434% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   31  15.37 +/- 2.40   0.005% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  12.65 +/- 0.98   0.012% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  12.01 +/- 1.92   0.028% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  13.10 +/- 0.85   0.010% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   9.35 +/- 1.08   0.089% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   9.42 +/- 1.12   0.090% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD2   LEU   31  17.57 +/- 2.57   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD2   LEU   31  20.91 +/- 2.19   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  16.36 +/- 2.36   0.004% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  15.69 +/- 2.22   0.005% *  0.0019% (0.02   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 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.82, residual support = 231.6:
    * O T HG    LEU   31 - QD2   LEU   31   2.12 +/- 0.01  80.905% * 99.5693% (0.80  10.0 10.00   5.82 231.60) =  99.991%  kept
          QG1   VAL   41 - QD2   LEU   31   3.23 +/- 0.87  15.259% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.006%
          QD2   LEU   73 - QD2   LEU   31   4.58 +/- 1.08   1.729% *  0.1148% (0.92   1.0  1.00   0.02   3.24) =   0.002%
        T HG    LEU   31 - QG2   VAL   43   6.04 +/- 0.85   0.236% *  0.0674% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - QG2   VAL   43   4.75 +/- 0.92   1.510% *  0.0078% (0.06   1.0  1.00   0.02   8.35) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   5.77 +/- 0.92   0.353% *  0.0021% (0.02   1.0  1.00   0.02   1.58) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.91 +/- 1.28   0.001% *  0.1241% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.93 +/- 1.40   0.006% *  0.0084% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD2   LEU   31  16.91 +/- 2.37   0.000% *  0.0704% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  15.02 +/- 2.13   0.001% *  0.0048% (0.04   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 258 (0.00, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.6:
    * O T QD1   LEU   31 - QD2   LEU   31   2.08 +/- 0.04  99.414% * 99.9324% (1.00  10.0 10.00   4.62 231.60) = 100.000%  kept
        T QD1   LEU   31 - QG2   VAL   43   5.07 +/- 0.50   0.586% *  0.0676% (0.07   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 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 = 3.01, residual support = 43.0:
    * O T QB    GLN   32 - HA    GLN   32   2.41 +/- 0.11  70.927% * 48.6885% (0.69  10.0 10.00   2.96  44.49) =  95.556%  kept
        T QB    GLN   32 - HA    LYS+  33   4.17 +/- 0.25   3.041% * 50.1038% (0.71   1.0 10.00   4.37  11.62) =   4.216%  kept
        T QB    GLN   32 - HA    GLU-  29   2.90 +/- 0.31  25.997% *  0.3169% (0.45   1.0 10.00   0.02   0.02) =   0.228%
          HG3   GLU- 100 - HA    GLN   32  11.44 +/- 1.93   0.009% *  0.0390% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLU-  29  10.65 +/- 0.51   0.010% *  0.0314% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    LYS+  33  11.88 +/- 1.89   0.007% *  0.0401% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLN   32  14.32 +/- 0.59   0.002% *  0.0483% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  16.85 +/- 1.74   0.001% *  0.0463% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.61 +/- 0.38   0.001% *  0.0497% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  15.82 +/- 1.79   0.001% *  0.0254% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  15.70 +/- 2.84   0.002% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  20.02 +/- 1.43   0.000% *  0.0449% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  21.61 +/- 1.41   0.000% *  0.0293% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  17.45 +/- 2.31   0.001% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  19.16 +/- 2.58   0.000% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  28.04 +/- 1.31   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  29.25 +/- 1.07   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  28.50 +/- 2.02   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  30.45 +/- 1.84   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  28.29 +/- 1.06   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  31.14 +/- 1.93   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.72 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 = 0.689, support = 3.09, residual support = 41.4:
    * O T QG    GLN   32 - HA    GLN   32   2.40 +/- 0.28  87.207% * 48.7402% (0.69  10.0 10.00   2.96  44.49) =  90.486%  kept
        T QG    GLN   32 - HA    LYS+  33   4.20 +/- 0.75   8.886% * 50.1570% (0.71   1.0 10.00   4.35  11.62) =   9.488%  kept
        T QG    GLN   32 - HA    GLU-  29   4.58 +/- 0.64   3.880% *  0.3172% (0.45   1.0 10.00   0.02   0.02) =   0.026%
        T HB2   GLU- 100 - HA    GLN   32  11.70 +/- 2.08   0.014% *  0.1355% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    LYS+  33  12.85 +/- 2.02   0.006% *  0.1395% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLU-  29  16.15 +/- 2.00   0.001% *  0.0882% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU-  29  13.49 +/- 0.83   0.003% *  0.0275% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  17.47 +/- 0.86   0.001% *  0.0423% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  18.58 +/- 0.84   0.000% *  0.0435% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  23.03 +/- 1.08   0.000% *  0.0296% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.34 +/- 0.83   0.000% *  0.0304% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  29.07 +/- 1.80   0.000% *  0.0993% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  18.96 +/- 0.57   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  20.85 +/- 0.82   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.47 +/- 0.86   0.000% *  0.0192% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  22.01 +/- 0.74   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  30.33 +/- 1.45   0.000% *  0.0628% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  26.26 +/- 2.17   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  26.83 +/- 2.27   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  26.33 +/- 2.22   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  29.77 +/- 1.65   0.000% *  0.0096% (0.14   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 263 (4.00, 2.11, 27.95 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 3.01, residual support = 42.8:
    * O T HA    GLN   32 - QB    GLN   32   2.41 +/- 0.11  70.948% * 46.7473% (0.69  10.0 10.00   2.96  44.49) =  95.013%  kept
        T HA    LYS+  33 - QB    GLN   32   4.17 +/- 0.25   3.042% * 52.0093% (0.76   1.0 10.00   4.37  11.62) =   4.532%  kept
        T HA    GLU-  29 - QB    GLN   32   2.90 +/- 0.31  26.005% *  0.6103% (0.90   1.0 10.00   0.02   0.02) =   0.455%
          HA    VAL   18 - QB    GLN   32  14.80 +/- 1.10   0.002% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    GLN   32  13.54 +/- 0.94   0.002% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    GLN   32  15.75 +/- 1.30   0.001% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    GLN   32  26.33 +/- 1.20   0.000% *  0.3313% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  20.91 +/- 1.46   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  23.59 +/- 1.13   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  25.25 +/- 1.85   0.000% *  0.0305% (0.45   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 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 = 3.11, residual support = 44.5:
    * O T QG    GLN   32 - QB    GLN   32   2.12 +/- 0.02  99.995% * 99.7611% (1.00  10.0 10.00   3.11  44.49) = 100.000%  kept
          HB2   GLU- 100 - QB    GLN   32  12.61 +/- 1.89   0.003% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QB    GLN   32  14.48 +/- 0.82   0.001% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  21.37 +/- 0.89   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  18.56 +/- 0.71   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  24.21 +/- 2.01   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  27.32 +/- 1.36   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 266 (4.00, 2.39, 33.78 ppm):
    10 chemical-shift based assignments, quality = 0.694, support = 3.1, residual support = 41.1:
    * O T HA    GLN   32 - QG    GLN   32   2.40 +/- 0.28  87.225% * 46.7583% (0.69  10.0 10.00   2.96  44.49) =  89.770%  kept
        T HA    LYS+  33 - QG    GLN   32   4.20 +/- 0.75   8.889% * 52.0216% (0.76   1.0 10.00   4.35  11.62) =  10.178%  kept
        T HA    GLU-  29 - QG    GLN   32   4.58 +/- 0.64   3.881% *  0.6105% (0.90   1.0 10.00   0.02   0.02) =   0.052%
          HA    VAL   70 - QG    GLN   32  14.11 +/- 1.03   0.003% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    GLN   32  16.10 +/- 1.21   0.001% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG    GLN   32  17.05 +/- 1.31   0.001% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN  116 - QG    GLN   32  26.24 +/- 2.05   0.000% *  0.3052% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  22.10 +/- 1.66   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  25.20 +/- 1.17   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  27.85 +/- 1.07   0.000% *  0.0331% (0.49   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 267 (2.11, 2.39, 33.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.11, residual support = 44.5:
    * O T QB    GLN   32 - QG    GLN   32   2.12 +/- 0.02  99.993% * 99.6746% (1.00  10.0 10.00   3.11  44.49) = 100.000%  kept
          HG3   GLU- 100 - QG    GLN   32  12.05 +/- 1.73   0.004% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QG    GLN   32  13.43 +/- 0.97   0.002% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  18.89 +/- 1.79   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  16.99 +/- 2.20   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  27.43 +/- 1.09   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  28.57 +/- 1.59   0.000% *  0.0197% (0.20   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 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 = 6.3, residual support = 147.9:
    * O T QB    LYS+  33 - HA    LYS+  33   2.21 +/- 0.03  98.816% * 96.5845% (1.00  10.0 10.00   6.30 147.86) =  99.998%  kept
        T QB    LYS+  33 - HA    GLN   32   5.43 +/- 0.22   0.456% *  0.2484% (0.26   1.0 10.00   0.02  11.62) =   0.001%
        T QB    LYS+  33 - HA    GLU-  29   6.27 +/- 0.82   0.287% *  0.2697% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    GLU-  29   5.85 +/- 0.38   0.313% *  0.0067% (0.07   1.0  1.00   0.02  19.58) =   0.000%
          HB3   GLN   30 - HA    LYS+  33   7.92 +/- 0.46   0.050% *  0.0241% (0.25   1.0  1.00   0.02   0.17) =   0.000%
          HB3   LYS+  38 - HA    LYS+  33   9.77 +/- 0.18   0.013% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.79 +/- 0.27   0.053% *  0.0062% (0.06   1.0  1.00   0.02   1.57) =   0.000%
        T QB    LYS+  81 - HA    GLU-  29  17.00 +/- 0.83   0.000% *  0.2602% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LYS+  33  22.33 +/- 0.91   0.000% *  0.9321% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  10.99 +/- 0.18   0.007% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  20.13 +/- 0.84   0.000% *  0.2397% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  17.80 +/- 1.67   0.000% *  0.0892% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  18.92 +/- 1.28   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  19.61 +/- 0.91   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  20.47 +/- 1.21   0.000% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  16.68 +/- 1.74   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  15.63 +/- 0.22   0.001% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  18.69 +/- 1.51   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  18.47 +/- 1.25   0.000% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  19.23 +/- 1.17   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  20.03 +/- 1.56   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  20.68 +/- 1.63   0.000% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  31.28 +/- 1.50   0.000% *  0.2408% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  21.97 +/- 1.28   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  22.28 +/- 1.60   0.000% *  0.0249% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  28.61 +/- 1.05   0.000% *  0.0957% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  25.01 +/- 4.43   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  27.55 +/- 1.83   0.000% *  0.0547% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  24.24 +/- 0.88   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  30.30 +/- 1.72   0.000% *  0.0932% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  29.12 +/- 1.48   0.000% *  0.0672% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  26.34 +/- 1.22   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  30.78 +/- 1.37   0.000% *  0.0619% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  28.64 +/- 1.57   0.000% *  0.0260% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  27.02 +/- 1.71   0.000% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  27.91 +/- 1.70   0.000% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  30.84 +/- 1.51   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  28.52 +/- 1.49   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  26.72 +/- 4.22   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  28.19 +/- 3.75   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  25.67 +/- 1.46   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  27.21 +/- 1.55   0.000% *  0.0038% (0.04   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 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 0.991, support = 6.08, residual support = 146.2:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.22 +/- 0.30  89.757% * 76.3092% (1.00  10.0 10.00   6.11 147.86) =  98.768%  kept
        T HG3   LYS+  33 - HA    GLN   32   5.96 +/- 0.89   4.293% * 19.6245% (0.26   1.0 10.00   4.15  11.62) =   1.215%  kept
        T HG3   LYS+  33 - HA    GLU-  29   6.80 +/- 2.03   5.299% *  0.2130% (0.28   1.0 10.00   0.02   0.02) =   0.016%
        T HG3   LYS+ 102 - HA    LYS+  33  17.26 +/- 1.73   0.005% *  0.7219% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLN   32  14.68 +/- 2.24   0.015% *  0.1856% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  33  12.27 +/- 0.75   0.037% *  0.0736% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  33  13.13 +/- 2.59   0.042% *  0.0611% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  33  11.54 +/- 0.77   0.050% *  0.0401% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLU-  29  10.66 +/- 0.86   0.091% *  0.0206% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  33  13.00 +/- 0.75   0.024% *  0.0756% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLN   32  10.14 +/- 0.96   0.120% *  0.0103% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+  33  21.53 +/- 1.08   0.001% *  0.7563% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLU-  29  17.97 +/- 2.25   0.004% *  0.2015% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  33  21.25 +/- 0.85   0.001% *  0.6110% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLN   32  12.42 +/- 0.87   0.035% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  12.15 +/- 0.96   0.038% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLU-  29  14.88 +/- 3.06   0.023% *  0.0171% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLN   32  13.89 +/- 0.67   0.016% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLN   32  19.92 +/- 1.30   0.002% *  0.1571% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  14.62 +/- 0.61   0.011% *  0.0211% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLU-  29  21.35 +/- 1.24   0.001% *  0.1706% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLN   32  16.18 +/- 2.83   0.011% *  0.0157% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  14.51 +/- 1.17   0.013% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLU-  29  23.57 +/- 1.22   0.001% *  0.2112% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  16.54 +/- 1.02   0.006% *  0.0212% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLN   32  24.22 +/- 1.08   0.001% *  0.1945% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  14.04 +/- 1.30   0.018% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  12.93 +/- 1.21   0.026% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  13.82 +/- 0.88   0.018% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  14.57 +/- 1.22   0.012% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  15.85 +/- 0.81   0.007% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  19.95 +/- 0.87   0.002% *  0.0170% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  18.97 +/- 0.85   0.002% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  17.03 +/- 1.08   0.005% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  17.99 +/- 0.95   0.004% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  17.16 +/- 0.74   0.005% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  24.43 +/- 3.22   0.001% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  25.10 +/- 1.40   0.000% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  31.20 +/- 1.64   0.000% *  0.0684% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  23.23 +/- 1.27   0.001% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  24.90 +/- 3.43   0.001% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  24.69 +/- 1.12   0.001% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  31.29 +/- 1.67   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  31.57 +/- 1.86   0.000% *  0.0176% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  26.84 +/- 3.20   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.10 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 4.86, residual support = 146.5:
    *   T QD    LYS+  33 - HA    LYS+  33   3.62 +/- 0.70  90.124% * 76.4468% (1.00 10.00   4.89 147.86) =  99.048%  kept
        T QD    LYS+  33 - HA    GLN   32   6.74 +/- 1.11   2.414% * 19.6599% (0.26 10.00   3.09  11.62) =   0.682%  kept
        T QD    LYS+  33 - HA    GLU-  29   6.62 +/- 1.70   7.423% *  2.5309% (0.28 10.00   0.24   0.02) =   0.270%
          HD2   LYS+  74 - HA    LYS+  33  18.53 +/- 1.22   0.007% *  0.0433% (0.57  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  33  21.79 +/- 1.04   0.003% *  0.0663% (0.87  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  16.52 +/- 1.03   0.014% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  33  33.75 +/- 2.51   0.000% *  0.6856% (0.90 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  33  25.35 +/- 5.17   0.002% *  0.0764% (1.00  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  19.04 +/- 0.92   0.006% *  0.0111% (0.15  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  20.97 +/- 1.14   0.003% *  0.0185% (0.24  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLU-  29  33.45 +/- 2.30   0.000% *  0.1914% (0.25 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLN   32  33.28 +/- 2.56   0.000% *  0.1763% (0.23 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  22.48 +/- 0.94   0.002% *  0.0171% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  27.10 +/- 4.95   0.001% *  0.0197% (0.26  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  28.76 +/- 4.55   0.001% *  0.0213% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  31.13 +/- 1.77   0.000% *  0.0151% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  29.34 +/- 1.57   0.000% *  0.0042% (0.06  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  31.58 +/- 1.48   0.000% *  0.0039% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.23 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.621, support = 4.53, residual support = 87.5:
    *   T QE    LYS+  33 - HA    LYS+  33   4.25 +/- 0.26  13.305% * 50.1541% (1.00 10.00   5.53 147.86) =  52.781%  kept
        T HB2   ASN   28 - HA    GLU-  29   3.96 +/- 0.23  20.707% * 13.7252% (0.27 10.00   4.82  35.57) =  22.480%  kept
        T HB2   ASN   35 - HA    GLN   32   3.37 +/- 0.66  59.075% *  4.3997% (0.09 10.00   2.12   6.50) =  20.558%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.53 +/- 0.23   2.542% * 17.0398% (0.34 10.00   1.99   1.28) =   3.426%  kept
        T QE    LYS+  33 - HA    GLN   32   7.12 +/- 0.62   0.699% * 12.8982% (0.26 10.00   3.22  11.62) =   0.714%  kept
        T QE    LYS+  33 - HA    GLU-  29   6.62 +/- 1.61   3.069% *  0.1400% (0.28 10.00   0.02   0.02) =   0.034%
        T HB2   ASN   28 - HA    GLN   32   7.99 +/- 0.50   0.325% *  0.1264% (0.25 10.00   0.02   0.02) =   0.003%
        T HB2   ASN   28 - HA    LYS+  33  10.73 +/- 0.66   0.052% *  0.4916% (0.98 10.00   0.02   0.02) =   0.002%
        T HB2   ASN   35 - HA    GLU-  29   8.60 +/- 0.62   0.179% *  0.0478% (0.10 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HA    LYS+  33  19.85 +/- 1.46   0.001% *  0.4498% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  13.28 +/- 1.66   0.018% *  0.0077% (0.15  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLU-  29  16.16 +/- 0.96   0.004% *  0.0312% (0.06 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  33  20.68 +/- 0.94   0.001% *  0.1117% (0.22 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLU-  29  21.54 +/- 1.55   0.001% *  0.1256% (0.25 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLN   32  22.36 +/- 1.42   0.001% *  0.1157% (0.23 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  15.61 +/- 1.44   0.006% *  0.0096% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  19.95 +/- 1.48   0.001% *  0.0345% (0.69  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  19.92 +/- 0.77   0.001% *  0.0287% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  16.93 +/- 1.65   0.004% *  0.0089% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  16.28 +/- 1.48   0.005% *  0.0020% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  20.55 +/- 0.73   0.001% *  0.0091% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  25.48 +/- 0.77   0.000% *  0.0324% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  18.85 +/- 1.24   0.002% *  0.0022% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  24.38 +/- 0.66   0.000% *  0.0083% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.3, residual support = 147.9:
    * O T HA    LYS+  33 - QB    LYS+  33   2.21 +/- 0.03  98.844% * 98.1731% (1.00  10.0 10.00   6.30 147.86) =  99.996%  kept
        T HA    GLU-  29 - QB    LYS+  33   6.27 +/- 0.82   0.288% *  0.9474% (0.97   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - QB    LYS+  33   5.43 +/- 0.22   0.456% *  0.2730% (0.28   1.0 10.00   0.02  11.62) =   0.001%
          HB2   SER   37 - QB    LYS+  33   5.80 +/- 0.61   0.387% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    LYS+  33   9.69 +/- 1.11   0.018% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  33  11.43 +/- 1.16   0.006% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    LYS+  33  18.17 +/- 1.58   0.000% *  0.0880% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  22.30 +/- 2.08   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  25.18 +/- 1.32   0.000% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  22.99 +/- 1.20   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  22.37 +/- 1.15   0.000% *  0.0303% (0.31   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 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 = 147.9:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.43 +/- 0.10  99.859% * 96.3761% (1.00  10.0 10.00   6.20 147.86) = 100.000%  kept
        T QB    LEU   98 - QB    LYS+  33   9.92 +/- 0.75   0.025% *  0.5071% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+  33   9.09 +/- 0.73   0.043% *  0.0930% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+  33  10.60 +/- 2.19   0.031% *  0.0772% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+  33  10.11 +/- 0.80   0.022% *  0.0955% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QB    LYS+  33  15.74 +/- 1.52   0.002% *  0.9117% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+  33  17.30 +/- 1.03   0.001% *  0.9552% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+  33  18.19 +/- 0.75   0.001% *  0.7717% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+  33  12.75 +/- 0.91   0.005% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  12.33 +/- 1.08   0.008% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  15.58 +/- 0.84   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  16.82 +/- 0.77   0.001% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  20.91 +/- 2.67   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  20.70 +/- 1.35   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  26.24 +/- 1.53   0.000% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.06, residual support = 147.9:
    * O T QD    LYS+  33 - QB    LYS+  33   2.24 +/- 0.19  99.997% * 97.3258% (1.00  10.0 10.00   5.06 147.86) = 100.000%  kept
        T HD2   LYS+  74 - QB    LYS+  33  14.52 +/- 1.17   0.002% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - QB    LYS+  33  21.48 +/- 4.48   0.000% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QB    LYS+  33  17.79 +/- 1.01   0.001% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  33  28.80 +/- 2.22   0.000% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  25.79 +/- 1.65   0.000% *  0.1926% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 5.63, residual support = 147.9:
    *   T QE    LYS+  33 - QB    LYS+  33   2.70 +/- 0.64  98.769% * 98.6189% (1.00 10.00   5.63 147.86) =  99.999%  kept
          HB2   ASN   35 - QB    LYS+  33   6.44 +/- 0.35   1.027% *  0.0336% (0.34  1.00   0.02   1.28) =   0.000%
          HB2   ASN   28 - QB    LYS+  33   9.14 +/- 0.77   0.131% *  0.0967% (0.98  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QB    LYS+  33  15.98 +/- 1.38   0.006% *  0.8844% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QB    LYS+  33  11.19 +/- 1.49   0.060% *  0.0152% (0.15  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  33  16.72 +/- 0.96   0.003% *  0.2196% (0.22 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  33  17.08 +/- 1.23   0.003% *  0.0677% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  21.07 +/- 0.77   0.001% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 287 (4.01, 1.38, 25.23 ppm):
    44 chemical-shift based assignments, quality = 0.99, support = 6.08, residual support = 145.9:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.22 +/- 0.30  85.405% * 74.2013% (1.00  10.0 10.00   6.11 147.86) =  98.580%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.96 +/- 0.89   4.235% * 20.6307% (0.28   1.0 10.00   4.15  11.62) =   1.359%  kept
        T HA    GLU-  29 - HG3   LYS+  33   6.80 +/- 2.03   5.262% *  0.7161% (0.97   1.0 10.00   0.02   0.02) =   0.059%
          HB2   SER   37 - HG3   LYS+  33   6.59 +/- 1.99   4.208% *  0.0165% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG3   LYS+  65   8.60 +/- 1.77   0.629% *  0.0606% (0.82   1.0  1.00   0.02   0.10) =   0.001%
          HA    VAL   70 - HG3   LYS+  33  10.91 +/- 1.75   0.077% *  0.0644% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+  33  12.94 +/- 1.35   0.029% *  0.0702% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 102  17.26 +/- 1.73   0.005% *  0.3686% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  14.68 +/- 2.24   0.015% *  0.1025% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 102  17.97 +/- 2.25   0.004% *  0.3557% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  65  13.07 +/- 0.81   0.021% *  0.0556% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  65  14.06 +/- 1.36   0.016% *  0.0556% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+  65  21.53 +/- 1.08   0.001% *  0.6408% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 106  13.91 +/- 1.17   0.016% *  0.0409% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 106  14.43 +/- 1.22   0.016% *  0.0409% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 106  21.25 +/- 0.85   0.001% *  0.4715% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 106  21.35 +/- 1.24   0.001% *  0.4550% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+  65  23.57 +/- 1.22   0.001% *  0.6184% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  15.77 +/- 1.20   0.009% *  0.0320% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  19.92 +/- 1.30   0.002% *  0.1311% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  15.06 +/- 2.21   0.013% *  0.0146% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  19.23 +/- 1.73   0.002% *  0.0728% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 106  17.81 +/- 1.04   0.004% *  0.0446% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  33  20.09 +/- 2.06   0.002% *  0.0665% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  24.22 +/- 1.08   0.001% *  0.1782% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  20.15 +/- 1.71   0.002% *  0.0423% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  20.54 +/- 2.58   0.002% *  0.0331% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  21.06 +/- 2.70   0.002% *  0.0337% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  18.54 +/- 3.01   0.004% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  17.05 +/- 1.31   0.005% *  0.0082% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  21.79 +/- 1.35   0.001% *  0.0349% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  18.86 +/- 1.02   0.002% *  0.0143% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  24.84 +/- 2.22   0.000% *  0.0644% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  22.83 +/- 2.16   0.001% *  0.0320% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  21.80 +/- 1.53   0.001% *  0.0248% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  25.63 +/- 1.91   0.001% *  0.0390% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  20.29 +/- 2.10   0.002% *  0.0099% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  20.05 +/- 0.74   0.002% *  0.0105% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  24.78 +/- 1.81   0.001% *  0.0229% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  28.36 +/- 2.20   0.000% *  0.0575% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  28.55 +/- 2.09   0.000% *  0.0194% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  28.93 +/- 1.37   0.000% *  0.0198% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  28.03 +/- 1.73   0.000% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  28.02 +/- 1.89   0.000% *  0.0057% (0.08   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 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.845, support = 6.08, residual support = 143.1:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.43 +/- 0.10  47.163% * 60.0127% (1.00  10.0 10.00   6.20 147.86) =  61.121%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.41 +/- 0.07  49.906% * 36.0742% (0.60  10.0 10.00   5.91 135.59) =  38.877%  kept
          HB    ILE  103 - HG3   LYS+ 102   5.87 +/- 0.99   1.446% *  0.0282% (0.47   1.0  1.00   0.02  22.38) =   0.001%
          HB3   ASP- 105 - HG3   LYS+ 106   5.16 +/- 0.36   0.584% *  0.0374% (0.62   1.0  1.00   0.02  21.45) =   0.000%
          HB    ILE  103 - HG3   LYS+ 106   5.65 +/- 0.92   0.449% *  0.0361% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  33   6.02 +/- 1.31   0.400% *  0.0150% (0.25   1.0  1.00   0.02   0.17) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+ 102  11.24 +/- 1.11   0.006% *  0.2820% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  65  10.61 +/- 1.63   0.013% *  0.0478% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  33  10.69 +/- 1.59   0.011% *  0.0247% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 102  15.74 +/- 1.52   0.001% *  0.2981% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+  65  17.30 +/- 1.03   0.000% *  0.5182% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  65  18.43 +/- 1.81   0.000% *  0.4902% (0.82   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  33  18.52 +/- 1.04   0.000% *  0.5677% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  12.10 +/- 1.20   0.004% *  0.0292% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 106  18.19 +/- 0.75   0.000% *  0.3814% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  16.56 +/- 2.38   0.001% *  0.0554% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  14.61 +/- 1.75   0.001% *  0.0293% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  65  16.25 +/- 2.48   0.001% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  13.38 +/- 1.43   0.002% *  0.0123% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  13.59 +/- 1.45   0.002% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  15.21 +/- 1.68   0.001% *  0.0216% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  17.23 +/- 2.11   0.000% *  0.0378% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  18.43 +/- 1.20   0.000% *  0.0568% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  18.84 +/- 1.75   0.000% *  0.0508% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  18.73 +/- 3.03   0.000% *  0.0352% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  19.44 +/- 1.27   0.000% *  0.0588% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  19.01 +/- 1.52   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  14.42 +/- 1.23   0.001% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  20.99 +/- 1.75   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  16.81 +/- 2.37   0.001% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  16.46 +/- 2.22   0.001% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  18.33 +/- 0.68   0.000% *  0.0157% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  17.32 +/- 1.36   0.000% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  21.55 +/- 1.10   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  18.35 +/- 1.44   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  17.84 +/- 1.47   0.000% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  21.27 +/- 2.09   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  21.77 +/- 2.49   0.000% *  0.0275% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  22.78 +/- 2.98   0.000% *  0.0295% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  24.40 +/- 1.32   0.000% *  0.0490% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  25.36 +/- 1.70   0.000% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  22.37 +/- 1.14   0.000% *  0.0213% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  20.78 +/- 1.70   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  27.00 +/- 1.60   0.000% *  0.0595% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  23.65 +/- 4.27   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  25.51 +/- 1.94   0.000% *  0.0340% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  28.00 +/- 1.82   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  27.88 +/- 1.92   0.000% *  0.0514% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  23.15 +/- 4.10   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  24.78 +/- 1.59   0.000% *  0.0169% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  22.83 +/- 1.98   0.000% *  0.0080% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  30.33 +/- 1.82   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  22.91 +/- 1.48   0.000% *  0.0046% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  26.64 +/- 1.60   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.16 +/- 1.81   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  27.35 +/- 1.45   0.000% *  0.0074% (0.12   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 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 = 147.9:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.28 +/- 0.12  99.956% * 94.8130% (1.00  10.0 10.00   4.55 147.86) = 100.000%  kept
          QB    ALA   57 - HG3   LYS+  65   9.91 +/- 1.79   0.027% *  0.0710% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 106  15.63 +/- 2.36   0.002% *  0.5403% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+  65  16.68 +/- 1.71   0.001% *  0.8188% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 102  17.19 +/- 1.58   0.001% *  0.4710% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  65  12.75 +/- 2.13   0.006% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  14.49 +/- 2.07   0.003% *  0.0819% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 106  19.14 +/- 0.86   0.000% *  0.6025% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  65  23.68 +/- 2.43   0.000% *  0.7343% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  15.53 +/- 1.09   0.001% *  0.0523% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  16.26 +/- 1.53   0.001% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  17.38 +/- 2.88   0.001% *  0.0602% (0.64   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 102  25.77 +/- 2.56   0.000% *  0.4224% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  17.03 +/- 1.41   0.001% *  0.0341% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  19.86 +/- 1.14   0.000% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  17.17 +/- 2.68   0.001% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  33  24.00 +/- 5.10   0.000% *  0.0948% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  33  32.05 +/- 2.62   0.000% *  0.8503% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  23.42 +/- 4.65   0.000% *  0.0471% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  22.50 +/- 1.57   0.000% *  0.0409% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  22.31 +/- 1.57   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  22.02 +/- 1.18   0.000% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  28.83 +/- 1.84   0.000% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  30.88 +/- 1.75   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 0.02 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.843, support = 4.5, residual support = 159.3:
      O T QE    LYS+  65 - HG3   LYS+  65   2.31 +/- 0.38  74.779% * 42.3520% (0.77  10.0 10.00   4.28 164.30) =  69.778%  kept
    * O T QE    LYS+  33 - HG3   LYS+  33   2.91 +/- 0.46  25.083% * 54.6859% (1.00  10.0 10.00   5.01 147.86) =  30.222%  kept
          HB2   ASN   28 - HG3   LYS+  33   9.97 +/- 1.98   0.030% *  0.0536% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  33   7.18 +/- 0.53   0.083% *  0.0187% (0.34   1.0  1.00   0.02   1.28) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  16.76 +/- 1.84   0.001% *  0.4722% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  18.00 +/- 1.69   0.000% *  0.4904% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.59 +/- 1.61   0.000% *  0.2717% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  14.58 +/- 2.82   0.005% *  0.0187% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  19.41 +/- 1.67   0.000% *  0.3475% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  13.54 +/- 2.14   0.003% *  0.0239% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  20.53 +/- 1.53   0.000% *  0.3116% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  12.65 +/- 2.34   0.005% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  33  18.60 +/- 1.60   0.000% *  0.1217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.93 +/- 1.93   0.003% *  0.0093% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  65  19.64 +/- 1.82   0.000% *  0.1051% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  19.59 +/- 1.25   0.000% *  0.0774% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  17.38 +/- 2.27   0.001% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  18.86 +/- 1.96   0.000% *  0.0376% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  14.34 +/- 1.30   0.002% *  0.0073% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  25.49 +/- 1.39   0.000% *  0.2436% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.12 +/- 1.31   0.000% *  0.0341% (0.62   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  23.67 +/- 2.02   0.000% *  0.0605% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  18.99 +/- 1.06   0.000% *  0.0119% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  21.93 +/- 1.71   0.000% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.45 +/- 1.79   0.000% *  0.0354% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  24.47 +/- 1.46   0.000% *  0.0463% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  23.12 +/- 1.83   0.000% *  0.0305% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  18.45 +/- 1.60   0.000% *  0.0054% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  18.70 +/- 1.75   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  26.14 +/- 1.64   0.000% *  0.0324% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  26.79 +/- 2.13   0.000% *  0.0176% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  24.37 +/- 1.17   0.000% *  0.0161% (0.29   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 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.84, residual support = 146.4:
    *   T HA    LYS+  33 - QD    LYS+  33   3.62 +/- 0.70  82.663% * 87.2296% (1.00 10.00   4.89 147.86) =  99.007%  kept
        T HA    GLU-  29 - QD    LYS+  33   6.62 +/- 1.70   7.170% *  9.9823% (0.97 10.00   0.24   0.02) =   0.983%  kept
        T HA    GLN   32 - QD    LYS+  33   6.74 +/- 1.11   2.269% *  0.2425% (0.28 10.00   0.02  11.62) =   0.008%
          HB2   SER   37 - QD    LYS+  33   6.44 +/- 1.12   7.087% *  0.0194% (0.22  1.00   0.02   0.02) =   0.002%
          HA    VAL   70 - QD    LYS+  33  10.07 +/- 1.62   0.422% *  0.0757% (0.87  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QD    LYS+  33  10.91 +/- 1.44   0.232% *  0.0825% (0.95  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   LYS+ 111  11.91 +/- 1.02   0.102% *  0.0678% (0.78  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD    LYS+  33  18.58 +/- 1.87   0.007% *  0.0782% (0.90  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  15.40 +/- 2.43   0.028% *  0.0121% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD    LYS+  33  22.43 +/- 2.27   0.002% *  0.0757% (0.87  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HD3   LYS+ 111  33.45 +/- 2.30   0.000% *  0.7544% (0.86 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HD3   LYS+ 111  33.75 +/- 2.51   0.000% *  0.7817% (0.90 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  24.11 +/- 2.36   0.002% *  0.0739% (0.85  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HD3   LYS+ 111  22.05 +/- 2.77   0.003% *  0.0411% (0.47  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  24.39 +/- 3.11   0.002% *  0.0678% (0.78  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  21.83 +/- 2.68   0.004% *  0.0241% (0.28  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  22.73 +/- 1.60   0.002% *  0.0459% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  23.02 +/- 1.44   0.002% *  0.0269% (0.31  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  33.28 +/- 2.56   0.000% *  0.2173% (0.25 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  28.91 +/- 2.93   0.001% *  0.0701% (0.80  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  25.06 +/- 1.63   0.001% *  0.0135% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  31.88 +/- 2.86   0.000% *  0.0174% (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 = 5.06, residual support = 147.9:
    * O T QB    LYS+  33 - QD    LYS+  33   2.24 +/- 0.19  99.432% * 94.1852% (1.00  10.0 10.00   5.06 147.86) = 100.000%  kept
          HB3   GLN   30 - QD    LYS+  33   5.85 +/- 0.95   0.502% *  0.0235% (0.25   1.0  1.00   0.02   0.17) =   0.000%
        T HG3   PRO   68 - QD    LYS+  33  14.58 +/- 2.30   0.003% *  0.8694% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   LYS+ 111  11.43 +/- 2.25   0.013% *  0.0478% (0.51   1.0  1.00   0.02   2.08) =   0.000%
        T HG2   ARG+  54 - HD3   LYS+ 111  17.17 +/- 2.12   0.001% *  0.8145% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   LYS+ 111  12.53 +/- 1.79   0.005% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  33  10.74 +/- 0.86   0.011% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  11.99 +/- 2.34   0.013% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  13.46 +/- 2.79   0.014% *  0.0130% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  15.68 +/- 2.89   0.002% *  0.0827% (0.88   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   LYS+ 111  25.25 +/- 4.34   0.000% *  0.7791% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD3   LYS+ 111  18.60 +/- 1.97   0.000% *  0.2105% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - QD    LYS+  33  24.70 +/- 1.57   0.000% *  0.9090% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  33  21.28 +/- 3.80   0.000% *  0.2349% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  20.31 +/- 3.17   0.001% *  0.0837% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  17.37 +/- 1.00   0.001% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  17.81 +/- 1.11   0.000% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  18.30 +/- 0.98   0.000% *  0.0923% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  19.13 +/- 1.39   0.000% *  0.0909% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD3   LYS+ 111  28.80 +/- 2.22   0.000% *  0.8440% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  20.60 +/- 2.49   0.000% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  24.39 +/- 2.76   0.000% *  0.0815% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  24.72 +/- 1.15   0.000% *  0.0934% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  22.84 +/- 1.67   0.000% *  0.0533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  26.21 +/- 1.58   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  24.23 +/- 1.46   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  28.45 +/- 2.23   0.000% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  31.28 +/- 2.94   0.000% *  0.0347% (0.37   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 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 147.9:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.28 +/- 0.12  99.771% * 93.1714% (1.00  10.0 10.00   4.55 147.86) = 100.000%  kept
          HB2   LYS+ 112 - HD3   LYS+ 111   7.76 +/- 0.68   0.079% *  0.0749% (0.80   1.0  1.00   0.02  28.12) =   0.000%
          QB    ALA   12 - QD    LYS+  33   9.76 +/- 2.38   0.043% *  0.0746% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  33   9.27 +/- 1.06   0.035% *  0.0899% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  33  10.57 +/- 1.06   0.013% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD3   LYS+ 111  15.63 +/- 2.36   0.002% *  0.6686% (0.72   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+  33  16.68 +/- 1.71   0.001% *  0.9235% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  13.45 +/- 2.66   0.031% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  33  17.19 +/- 1.58   0.001% *  0.8814% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  33  11.04 +/- 0.68   0.009% *  0.0490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HD3   LYS+ 111  15.86 +/- 2.67   0.002% *  0.2082% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  33  19.14 +/- 0.86   0.000% *  0.7461% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  12.37 +/- 1.36   0.006% *  0.0259% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD3   LYS+ 111  23.68 +/- 2.43   0.000% *  0.8275% (0.89   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD3   LYS+ 111  25.77 +/- 2.56   0.000% *  0.7898% (0.85   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.45 +/- 1.12   0.003% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  21.39 +/- 2.40   0.000% *  0.0828% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  15.73 +/- 1.39   0.001% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD3   LYS+ 111  32.05 +/- 2.62   0.000% *  0.8349% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  18.94 +/- 2.52   0.001% *  0.0186% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  17.15 +/- 1.18   0.001% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  20.68 +/- 2.01   0.000% *  0.0439% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  24.28 +/- 2.64   0.000% *  0.0806% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  21.44 +/- 3.00   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  20.77 +/- 1.57   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  26.31 +/- 1.50   0.000% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  24.43 +/- 2.37   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  21.54 +/- 2.09   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  31.70 +/- 3.17   0.000% *  0.0669% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  25.17 +/- 2.82   0.000% *  0.0129% (0.14   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 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 = 4.18, residual support = 147.9:
    * O T QE    LYS+  33 - QD    LYS+  33   2.11 +/- 0.03  99.923% * 96.5704% (1.00  10.0 10.00   4.18 147.86) = 100.000%  kept
          HB2   ASN   28 - QD    LYS+  33   9.57 +/- 1.55   0.020% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  33   8.00 +/- 0.81   0.047% *  0.0329% (0.34   1.0  1.00   0.02   1.28) =   0.000%
        T QE    LYS+  65 - QD    LYS+  33  15.30 +/- 1.80   0.001% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  11.38 +/- 1.99   0.008% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  33  16.52 +/- 1.34   0.001% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  22.22 +/- 2.07   0.000% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  17.84 +/- 1.63   0.000% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.36 +/- 3.10   0.000% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD3   LYS+ 111  24.82 +/- 2.68   0.000% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  20.90 +/- 1.25   0.000% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  23.84 +/- 2.81   0.000% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  25.04 +/- 2.92   0.000% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  31.93 +/- 2.23   0.000% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  27.78 +/- 3.61   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  32.77 +/- 2.41   0.000% *  0.0295% (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 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.988, support = 5.49, residual support = 145.6:
    *   T HA    LYS+  33 - QE    LYS+  33   4.25 +/- 0.26  64.386% * 76.3050% (1.00 10.00   5.53 147.86) =  98.352%  kept
        T HA    GLN   32 - QE    LYS+  33   7.12 +/- 0.62   3.437% * 21.2156% (0.28 10.00   3.22  11.62) =   1.460%  kept
        T HA    GLU-  29 - QE    LYS+  33   6.62 +/- 1.61  12.174% *  0.7364% (0.97 10.00   0.02   0.02) =   0.179%
          HB2   SER   37 - QE    LYS+  33   7.06 +/- 1.67  12.290% *  0.0170% (0.22  1.00   0.02   0.02) =   0.004%
          HA    VAL   18 - QE    LYS+  65   8.21 +/- 1.93   3.155% *  0.0371% (0.49  1.00   0.02   0.10) =   0.002%
          HA    VAL   18 - QE    LYS+  33  10.90 +/- 1.93   0.567% *  0.0722% (0.95  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QE    LYS+  33  10.45 +/- 2.16   0.616% *  0.0662% (0.87  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   ASP-  76   8.33 +/- 2.07   2.641% *  0.0060% (0.08  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QE    LYS+  65  12.99 +/- 1.02   0.084% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QE    LYS+  65  19.85 +/- 1.46   0.007% *  0.3923% (0.51 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   ASP-  76  16.16 +/- 0.96   0.024% *  0.1098% (0.14 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASP-  76  10.93 +/- 0.82   0.243% *  0.0102% (0.13  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  65  13.90 +/- 1.26   0.065% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QE    LYS+  65  21.54 +/- 1.55   0.004% *  0.3786% (0.50 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASP-  76  12.81 +/- 1.01   0.096% *  0.0108% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  33  18.39 +/- 1.69   0.012% *  0.0684% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   ASP-  76  20.68 +/- 0.94   0.005% *  0.1138% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  22.36 +/- 1.42   0.003% *  0.1091% (0.14 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  65  18.86 +/- 2.87   0.011% *  0.0206% (0.27  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  33  22.66 +/- 2.31   0.003% *  0.0662% (0.87  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  19.92 +/- 0.77   0.006% *  0.0316% (0.04 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  13.37 +/- 1.77   0.086% *  0.0018% (0.02  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  22.56 +/- 1.90   0.004% *  0.0401% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  14.94 +/- 0.78   0.038% *  0.0035% (0.05  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  17.70 +/- 1.14   0.013% *  0.0087% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  23.01 +/- 1.34   0.003% *  0.0236% (0.31  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  18.51 +/- 2.03   0.011% *  0.0061% (0.08  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  20.05 +/- 0.53   0.006% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  65  25.89 +/- 2.56   0.001% *  0.0352% (0.46  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  22.40 +/- 1.72   0.003% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  25.03 +/- 2.12   0.002% *  0.0118% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  26.72 +/- 1.40   0.001% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  23.26 +/- 1.02   0.002% *  0.0025% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.22 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 147.9:
    *   T QB    LYS+  33 - QE    LYS+  33   2.70 +/- 0.64  97.607% * 97.9499% (1.00 10.00   5.63 147.86) =  99.999%  kept
          HB3   GLN   30 - QE    LYS+  33   5.85 +/- 1.21   1.909% *  0.0244% (0.25  1.00   0.02   0.17) =   0.000%
          HG3   PRO   68 - QE    LYS+  65  10.88 +/- 1.69   0.072% *  0.0465% (0.47  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+  33  14.89 +/- 2.78   0.036% *  0.0904% (0.92  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QE    LYS+  65  15.98 +/- 1.38   0.006% *  0.5035% (0.51 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP-  76   8.65 +/- 0.51   0.184% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  33  11.38 +/- 1.34   0.063% *  0.0403% (0.41  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  65  14.67 +/- 2.61   0.010% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB2   ASP-  76  16.72 +/- 0.96   0.003% *  0.1461% (0.15 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  65  13.92 +/- 1.45   0.012% *  0.0285% (0.29  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  33  17.57 +/- 1.60   0.002% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  33  18.12 +/- 1.39   0.002% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  13.57 +/- 1.53   0.015% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  13.42 +/- 1.16   0.011% *  0.0145% (0.15  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  18.95 +/- 1.36   0.002% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  33  18.67 +/- 1.69   0.001% *  0.0960% (0.98  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  17.71 +/- 1.46   0.002% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  15.34 +/- 1.92   0.008% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  18.38 +/- 1.51   0.002% *  0.0494% (0.50  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  16.14 +/- 1.18   0.004% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  12.99 +/- 0.89   0.015% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  17.02 +/- 1.73   0.004% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  23.04 +/- 2.05   0.001% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  16.92 +/- 1.45   0.004% *  0.0083% (0.08  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  21.57 +/- 4.00   0.001% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  24.66 +/- 1.54   0.000% *  0.0971% (0.99  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  22.97 +/- 2.25   0.000% *  0.0555% (0.57  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  24.66 +/- 2.03   0.000% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  13.96 +/- 0.90   0.011% *  0.0023% (0.02  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  23.18 +/- 1.26   0.000% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  21.11 +/- 1.18   0.001% *  0.0207% (0.21  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  19.17 +/- 1.84   0.001% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  16.13 +/- 1.85   0.004% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  20.28 +/- 1.19   0.001% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  25.60 +/- 1.99   0.000% *  0.0499% (0.51  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  21.24 +/- 1.17   0.001% *  0.0143% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  21.19 +/- 1.61   0.001% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  24.21 +/- 1.80   0.000% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  24.27 +/- 2.05   0.000% *  0.0151% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  26.25 +/- 2.13   0.000% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  25.98 +/- 0.63   0.000% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  26.03 +/- 1.75   0.000% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 4.75 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 = 0.704, support = 4.57, residual support = 157.8:
      O T HG3   LYS+  65 - QE    LYS+  65   2.31 +/- 0.38  74.132% * 32.5421% (0.51  10.0 10.00   4.28 164.30) =  60.380%  kept
    * O T HG3   LYS+  33 - QE    LYS+  33   2.91 +/- 0.46  24.785% * 63.8684% (1.00  10.0 10.00   5.01 147.86) =  39.619%  kept
          QB    ALA   12 - QE    LYS+  33   9.39 +/- 2.54   0.076% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  33   9.25 +/- 1.50   0.035% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   5.52 +/- 0.91   0.652% *  0.0015% (0.02   1.0  1.00   0.02   3.72) =   0.000%
          HB    VAL   42 - QE    LYS+  33  10.83 +/- 1.78   0.010% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   6.61 +/- 0.89   0.199% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  33  16.76 +/- 1.84   0.001% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  33  17.59 +/- 1.61   0.000% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  11.37 +/- 1.26   0.006% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  12.90 +/- 1.94   0.007% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76  10.01 +/- 0.60   0.014% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  65  18.00 +/- 1.69   0.000% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  33  19.41 +/- 1.67   0.000% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   7.88 +/- 0.45   0.052% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  65  12.78 +/- 1.18   0.003% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  12.20 +/- 1.46   0.004% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  65  14.13 +/- 1.85   0.002% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  65  20.53 +/- 1.53   0.000% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65  12.67 +/- 2.31   0.005% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  18.60 +/- 1.60   0.000% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  16.70 +/- 1.84   0.001% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   ASP-  76  19.64 +/- 1.82   0.000% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  13.74 +/- 1.77   0.002% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  19.59 +/- 1.25   0.000% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  65  25.49 +/- 1.39   0.000% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  12.00 +/- 1.48   0.005% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  17.67 +/- 2.55   0.001% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  15.56 +/- 1.36   0.001% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  23.67 +/- 2.02   0.000% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  15.54 +/- 0.59   0.001% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  17.06 +/- 1.12   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  17.59 +/- 1.06   0.000% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  15.81 +/- 1.48   0.001% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  19.00 +/- 3.09   0.001% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  16.06 +/- 1.19   0.001% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  20.80 +/- 2.26   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  21.89 +/- 3.07   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  26.45 +/- 1.83   0.000% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  19.77 +/- 1.60   0.000% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  22.03 +/- 2.45   0.000% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  19.45 +/- 1.63   0.000% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  20.48 +/- 2.11   0.000% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  17.01 +/- 1.51   0.001% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  25.29 +/- 2.12   0.000% *  0.0024% (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 303 (1.63, 2.92, 42.01 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.18, residual support = 147.9:
    * O T QD    LYS+  33 - QE    LYS+  33   2.11 +/- 0.03  99.844% * 97.4730% (1.00  10.0 10.00   4.18 147.86) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  65   9.12 +/- 1.72   0.025% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   ASP-  76   7.29 +/- 1.34   0.109% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+  65  15.30 +/- 1.80   0.001% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  11.76 +/- 2.52   0.009% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  14.11 +/- 1.78   0.002% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  14.36 +/- 1.96   0.002% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  16.52 +/- 1.34   0.001% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  11.50 +/- 1.32   0.005% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  22.22 +/- 2.07   0.000% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  17.46 +/- 1.56   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  33  21.96 +/- 4.73   0.000% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.36 +/- 3.10   0.000% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  15.47 +/- 2.78   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  24.82 +/- 2.68   0.000% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  15.74 +/- 1.79   0.001% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  25.39 +/- 2.17   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  27.07 +/- 2.36   0.000% *  0.0145% (0.15   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 304 (2.92, 2.92, 42.01 ppm):
    3 diagonal assignments:
    *     QE    LYS+  33 - QE    LYS+  33  (1.00)  kept
          QE    LYS+  65 - QE    LYS+  65  (0.46)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.03)  kept
 
    Peak 305 (4.13, 4.13, 54.46 ppm):
    2 diagonal assignments:
    *     HA    ALA   34 - HA    ALA   34  (0.80)  kept
          HA    ALA  124 - HA    ALA  124  (0.12)  kept
 
    Peak 306 (1.28, 4.13, 54.46 ppm):
    14 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.5:
    * O T QB    ALA   34 - HA    ALA   34   2.12 +/- 0.02  91.467% * 99.3602% (0.80  10.0 10.00   1.93  25.47) =  99.997%  kept
          QG2   THR   39 - HA    ALA   34   4.14 +/- 0.85   8.459% *  0.0308% (0.25   1.0  1.00   0.02   8.50) =   0.003%
          HG3   LYS+  38 - HA    ALA   34   7.18 +/- 0.30   0.064% *  0.0583% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   34 - HA    ALA  124  17.37 +/- 5.01   0.001% *  0.2281% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA   34  15.12 +/- 0.80   0.001% *  0.1098% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  13.57 +/- 5.12   0.007% *  0.0071% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  19.56 +/- 1.51   0.000% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  17.08 +/- 1.94   0.000% *  0.0185% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  17.83 +/- 0.54   0.000% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  21.07 +/- 6.90   0.000% *  0.0134% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  21.46 +/- 1.05   0.000% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  27.16 +/- 2.82   0.000% *  0.0252% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  23.64 +/- 1.52   0.000% *  0.0057% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  24.78 +/- 1.50   0.000% *  0.0071% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.5:
    * O T HA    ALA   34 - QB    ALA   34   2.12 +/- 0.02  98.953% * 98.8230% (0.80  10.0 10.00   1.93  25.47) =  99.999%  kept
          HA1   GLY  101 - QB    ALA   34   6.88 +/- 1.86   0.846% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QB    ALA   34   6.92 +/- 0.26   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   0.102% *  0.0170% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   34  17.37 +/- 5.01   0.001% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   34   9.56 +/- 0.48   0.012% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  16.73 +/- 1.44   0.000% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  19.49 +/- 1.38   0.000% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  20.93 +/- 0.87   0.000% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  17.52 +/- 0.69   0.000% *  0.0245% (0.20   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 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 = 55.4:
    * O T HB2   ASN   35 - HA    ASN   35   2.75 +/- 0.03  99.478% * 98.4270% (1.00  10.0 10.00   4.02  55.42) = 100.000%  kept
        T HB2   ASN   35 - HA    LEU   40   9.55 +/- 0.55   0.059% *  0.3690% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    ASN   35  12.86 +/- 0.33   0.010% *  0.4413% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   35   8.95 +/- 0.59   0.092% *  0.0336% (0.34   1.0  1.00   0.02   1.28) =   0.000%
          QE    LYS+  65 - HA    GLU-  15   8.78 +/- 1.16   0.133% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    GLU-  15   9.77 +/- 2.15   0.155% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LEU   40  15.58 +/- 0.44   0.003% *  0.1654% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    LEU   40  10.96 +/- 1.45   0.035% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    GLU-  15  18.21 +/- 1.95   0.001% *  0.1825% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    GLU-  15  18.51 +/- 1.37   0.001% *  0.0818% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  18.92 +/- 1.85   0.001% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  12.61 +/- 1.36   0.014% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  17.47 +/- 1.50   0.002% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  17.48 +/- 1.06   0.002% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  13.86 +/- 1.33   0.007% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  15.46 +/- 1.47   0.004% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  21.88 +/- 1.20   0.000% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  17.78 +/- 1.35   0.002% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  21.44 +/- 1.37   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  24.24 +/- 1.54   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  21.75 +/- 1.61   0.000% *  0.0025% (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 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   2.31 +/- 0.18  99.971% * 98.9106% (1.00  10.0 10.00   5.57  86.74) = 100.000%  kept
        T HB3   GLU-  29 - HA    GLU-  36  11.98 +/- 0.57   0.006% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  36  10.57 +/- 1.97   0.021% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  14.23 +/- 0.60   0.002% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  25.70 +/- 1.02   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  32.04 +/- 1.05   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.14 +/- 0.84  99.995% * 99.8378% (1.00  10.0 10.00   3.62  86.74) = 100.000%  kept
          HG3   MET   96 - HA    GLU-  36  20.02 +/- 1.10   0.003% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  22.31 +/- 1.74   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  26.77 +/- 1.43   0.001% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 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   3.49 +/- 0.12  99.973% * 99.2256% (1.00  10.0 10.00   3.62  86.74) = 100.000%  kept
        T QB    MET   11 - HA    GLU-  36  18.10 +/- 3.90   0.022% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  19.90 +/- 0.92   0.003% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  36  25.19 +/- 0.90   0.001% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  27.16 +/- 1.82   0.001% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  32.29 +/- 1.62   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  33.68 +/- 1.51   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.02 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   3.14 +/- 0.84  99.995% * 99.7630% (1.00  10.0 10.00   3.62  86.74) = 100.000%  kept
          HA    ALA  124 - HG2   GLU-  36  24.98 +/- 6.31   0.002% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   GLU-  36  26.58 +/- 1.30   0.001% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  21.72 +/- 2.05   0.003% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  31.09 +/- 2.16   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 329 (2.15, 2.46, 36.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 86.7:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.47 +/- 0.08  99.959% * 98.9106% (1.00  10.0 10.00   4.29  86.74) = 100.000%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  10.37 +/- 0.86   0.021% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   GLU-  36  12.78 +/- 0.83   0.006% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  11.85 +/- 2.03   0.014% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  24.25 +/- 1.61   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  31.37 +/- 1.43   0.000% *  0.0679% (0.69   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 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  86.74) = 100.000%  kept
        T QB    MET   11 - HG2   GLU-  36  16.21 +/- 4.13   0.001% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   GLU-  36  18.54 +/- 1.15   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  36  23.76 +/- 1.48   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  26.85 +/- 2.28   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  31.45 +/- 1.72   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  32.60 +/- 2.27   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   3.49 +/- 0.12  99.961% * 99.6097% (1.00  10.0 10.00   3.62  86.74) = 100.000%  kept
        T HA    GLU-  36 - QB    MET   11  18.10 +/- 3.90   0.022% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   GLU-  36  25.49 +/- 6.35   0.002% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  27.26 +/- 0.97   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  22.06 +/- 1.90   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  25.86 +/- 4.60   0.005% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  18.93 +/- 2.66   0.007% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  31.69 +/- 1.71   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  29.17 +/- 3.46   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  27.28 +/- 3.60   0.001% *  0.0065% (0.07   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 334 (2.15, 2.31, 36.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 86.7:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.29 +/- 0.09  99.970% * 99.4418% (1.00  10.0  1.00   4.29  86.74) = 100.000%  kept
          HB3   GLU-  29 - HG3   GLU-  36  10.58 +/- 1.07   0.012% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   GLU-  36  13.02 +/- 1.23   0.003% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  12.67 +/- 1.98   0.006% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  14.79 +/- 3.25   0.004% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  16.57 +/- 3.36   0.002% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  24.29 +/- 3.86   0.000% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  18.35 +/- 3.64   0.001% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  24.78 +/- 1.11   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  23.32 +/- 4.45   0.001% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  33.56 +/- 2.90   0.000% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  32.14 +/- 0.97   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 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  86.74) = 100.000%  kept
        T HG2   GLU-  36 - QB    MET   11  16.21 +/- 4.13   0.001% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  36  20.82 +/- 1.14   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  26.03 +/- 1.94   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  22.95 +/- 1.60   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  22.69 +/- 2.78   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  26.52 +/- 2.85   0.000% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  29.10 +/- 3.48   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 = 2.58, residual support = 26.8:
    * O T HB2   SER   37 - HA    SER   37   2.72 +/- 0.12  99.137% * 98.0025% (1.00  10.0 10.00   2.58  26.83) = 100.000%  kept
        T HB2   SER   37 - HA    SER   13  14.80 +/- 3.63   0.032% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   37   6.21 +/- 0.26   0.740% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   13  10.56 +/- 0.89   0.037% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   37  10.66 +/- 0.77   0.030% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   37  16.41 +/- 2.52   0.004% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    THR   46  24.53 +/- 0.81   0.000% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    THR   46  15.73 +/- 1.64   0.004% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  15.11 +/- 3.39   0.010% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  16.09 +/- 2.53   0.004% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  18.82 +/- 1.36   0.001% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  18.84 +/- 0.78   0.001% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  25.96 +/- 2.64   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  23.86 +/- 0.91   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  26.55 +/- 1.92   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (3.88, 4.42, 58.68 ppm):
    18 chemical-shift based assignments, quality = 0.581, support = 2.24, residual support = 16.7:
      O T QB    SER   13 - HA    SER   13   2.41 +/- 0.14  71.875% * 28.4793% (0.35  10.0 10.00   1.93   7.30) =  51.910%  kept
    * O T HB3   SER   37 - HA    SER   37   2.89 +/- 0.25  27.556% * 68.8149% (0.84  10.0 10.00   2.58  26.83) =  48.088%  kept
          HB    THR   39 - HA    SER   37   6.02 +/- 0.55   0.366% *  0.0566% (0.69   1.0  1.00   0.02   2.75) =   0.001%
        T QB    SER   13 - HA    SER   37  14.82 +/- 4.24   0.025% *  0.5330% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46  10.27 +/- 1.55   0.162% *  0.0682% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  14.57 +/- 3.65   0.009% *  0.3677% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.54 +/- 1.04   0.002% *  0.0815% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  15.18 +/- 3.27   0.004% *  0.0302% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  22.33 +/- 1.87   0.000% *  0.5281% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  24.20 +/- 0.98   0.000% *  0.6818% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.02 +/- 1.20   0.001% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.18 +/- 0.96   0.000% *  0.0561% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  23.75 +/- 2.17   0.000% *  0.0822% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  26.42 +/- 2.32   0.000% *  0.0439% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  28.24 +/- 1.55   0.000% *  0.0688% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  25.57 +/- 1.45   0.000% *  0.0281% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  30.55 +/- 1.55   0.000% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  27.93 +/- 2.32   0.000% *  0.0150% (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 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.58, residual support = 26.8:
    * O T HA    SER   37 - HB2   SER   37   2.72 +/- 0.12  99.774% * 98.1694% (1.00  10.0 10.00   2.58  26.83) = 100.000%  kept
        T HA    SER   13 - HB2   SER   37  14.80 +/- 3.63   0.032% *  0.5558% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   SER   37   8.09 +/- 0.34   0.165% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   SER   37  12.69 +/- 2.13   0.016% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   SER   37  12.95 +/- 0.44   0.009% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   SER   37  16.05 +/- 1.59   0.003% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB2   SER   37  24.53 +/- 0.81   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   SER   37  23.29 +/- 1.02   0.000% *  0.0516% (0.53   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 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  97.004% * 98.8953% (0.84  10.0 10.00   2.00  26.83) =  99.997%  kept
          HB    THR   39 - HB2   SER   37   3.68 +/- 0.76   2.951% *  0.0813% (0.69   1.0  1.00   0.02   2.75) =   0.003%
        T QB    SER   13 - HB2   SER   37  13.55 +/- 4.15   0.044% *  0.7659% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   37  21.48 +/- 2.23   0.000% *  0.1181% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  26.52 +/- 1.67   0.000% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  24.55 +/- 1.59   0.000% *  0.0404% (0.34   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 344 (4.42, 3.88, 64.19 ppm):
    16 chemical-shift based assignments, quality = 0.584, support = 2.24, residual support = 16.5:
      O T HA    SER   13 - QB    SER   13   2.41 +/- 0.14  72.098% * 29.4827% (0.36  10.0 10.00   1.93   7.30) =  53.053%  kept
    * O T HA    SER   37 - HB3   SER   37   2.89 +/- 0.25  27.641% * 68.0513% (0.84  10.0 10.00   2.58  26.83) =  46.947%  kept
        T HA    SER   37 - QB    SER   13  14.82 +/- 4.24   0.025% *  0.5208% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QB    SER   13   7.03 +/- 0.79   0.160% *  0.0295% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  14.57 +/- 3.65   0.009% *  0.3853% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   8.42 +/- 0.51   0.044% *  0.0255% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  11.17 +/- 1.06   0.010% *  0.0521% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  12.68 +/- 2.09   0.005% *  0.0385% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   SER   37  12.91 +/- 0.66   0.003% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  22.33 +/- 1.87   0.000% *  0.5161% (0.63   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  16.17 +/- 1.59   0.001% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  24.20 +/- 0.98   0.000% *  0.6745% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  18.07 +/- 3.47   0.001% *  0.0195% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  18.30 +/- 2.26   0.001% *  0.0316% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  19.11 +/- 1.72   0.000% *  0.0274% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  23.51 +/- 1.04   0.000% *  0.0358% (0.44   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 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  99.661% * 98.1382% (0.84  10.0 10.00   2.00  26.83) = 100.000%  kept
        T HB2   SER   37 - QB    SER   13  13.55 +/- 4.15   0.047% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   37   4.86 +/- 0.58   0.276% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   37   8.79 +/- 1.04   0.008% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QB    SER   13   9.89 +/- 1.10   0.004% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - QB    SER   13  14.89 +/- 2.72   0.001% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB3   SER   37  14.31 +/- 2.47   0.001% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    SER   13  14.05 +/- 3.63   0.002% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  24.10 +/- 2.54   0.000% *  0.0478% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  24.14 +/- 1.90   0.000% *  0.0366% (0.31   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 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 = 6.59, residual support = 219.1:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.92 +/- 0.12  99.327% * 99.6880% (1.00  10.0 10.00   6.59 219.14) = 100.000%  kept
        T HB2   LYS+  38 - HA    GLU- 100   7.54 +/- 1.46   0.613% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  12.37 +/- 0.63   0.019% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  14.23 +/- 0.39   0.008% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    LYS+  38  16.34 +/- 0.31   0.003% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  18.10 +/- 1.59   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  20.02 +/- 0.62   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  16.88 +/- 1.96   0.004% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  13.49 +/- 1.35   0.013% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  15.38 +/- 2.08   0.007% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  29.46 +/- 1.06   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  19.89 +/- 1.83   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  19.81 +/- 2.15   0.001% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  26.61 +/- 1.77   0.000% *  0.0032% (0.03   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 349 (1.88, 3.78, 58.04 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 219.1:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.69 +/- 0.12  98.727% * 98.2125% (1.00  10.0 10.00   5.89 219.14) =  99.999%  kept
        T HB3   LYS+  38 - HA    GLU- 100   6.50 +/- 1.42   0.957% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    LYS+  38   7.77 +/- 0.35   0.177% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  38  11.89 +/- 0.89   0.015% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  38  15.58 +/- 1.48   0.003% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  10.10 +/- 1.76   0.058% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  16.92 +/- 0.64   0.002% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  12.36 +/- 2.30   0.018% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  15.07 +/- 0.91   0.004% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  16.03 +/- 1.08   0.002% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    LYS+  38  27.16 +/- 0.93   0.000% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.90 +/- 0.24   0.023% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  14.18 +/- 0.74   0.005% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  38  31.14 +/- 1.25   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  13.68 +/- 0.98   0.006% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  26.59 +/- 1.57   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  24.62 +/- 0.86   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  28.13 +/- 1.04   0.000% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  27.20 +/- 1.73   0.000% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  29.01 +/- 1.32   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  17.54 +/- 1.77   0.002% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  22.59 +/- 1.43   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  25.43 +/- 1.50   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  25.63 +/- 0.60   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  26.09 +/- 2.14   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  30.37 +/- 1.75   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.91, residual support = 219.1:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.47 +/- 0.44  96.034% * 98.4430% (1.00  10.0 10.00   6.91 219.14) =  99.994%  kept
        T HG2   LYS+  99 - HA    LYS+  38   6.67 +/- 0.97   0.424% *  0.9649% (0.98   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  99 - HA    GLU- 100   4.86 +/- 0.37   2.440% *  0.0583% (0.06   1.0 10.00   0.02  39.92) =   0.002%
        T HG2   LYS+  38 - HA    GLU- 100   6.33 +/- 1.65   0.626% *  0.0595% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+  38  10.00 +/- 0.37   0.036% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    GLU- 100   9.32 +/- 1.86   0.099% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  38  11.66 +/- 1.11   0.020% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   8.45 +/- 1.10   0.305% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  17.84 +/- 5.71   0.005% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  21.73 +/- 1.68   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  18.93 +/- 1.38   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  20.32 +/- 0.70   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  21.36 +/- 0.82   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  19.34 +/- 0.48   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  29.57 +/- 2.73   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  18.71 +/- 2.14   0.001% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  18.57 +/- 5.68   0.004% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  18.60 +/- 1.35   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  19.44 +/- 1.56   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  18.31 +/- 1.18   0.001% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  19.07 +/- 1.74   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  27.37 +/- 2.71   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.05 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 6.58, residual support = 217.9:
    * O T HG3   LYS+  38 - HA    LYS+  38   2.96 +/- 0.67  68.225% * 81.6150% (1.00  10.0 10.00   6.59 219.14) =  99.342%  kept
          QG2   THR   39 - HA    LYS+  38   5.72 +/- 0.37   2.039% * 17.6336% (0.90   1.0  1.00   4.82  27.76) =   0.641%  kept
          QB    ALA   34 - HA    LYS+  38   4.36 +/- 0.10   8.680% *  0.0654% (0.80   1.0  1.00   0.02   0.02) =   0.010%
        T HG3   LYS+  99 - HA    LYS+  38   7.37 +/- 1.39   0.558% *  0.3063% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   34 - HA    GLU- 100   5.02 +/- 1.65  16.186% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - HA    GLU- 100   6.45 +/- 1.59   1.079% *  0.0493% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HA    GLU- 100   5.43 +/- 0.58   2.573% *  0.0185% (0.02   1.0 10.00   0.02  39.92) =   0.001%
          HG    LEU   71 - HA    LYS+  38   8.60 +/- 1.26   0.184% *  0.0252% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    GLU- 100   8.07 +/- 1.52   0.393% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  38  16.50 +/- 2.38   0.004% *  0.0462% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  10.32 +/- 1.57   0.069% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  18.34 +/- 0.78   0.002% *  0.0366% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  38  21.62 +/- 1.26   0.001% *  0.0772% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  23.43 +/- 1.39   0.000% *  0.0732% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  20.58 +/- 0.71   0.001% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  18.11 +/- 2.47   0.002% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  20.62 +/- 1.42   0.001% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  17.98 +/- 1.47   0.002% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  21.27 +/- 2.25   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  20.14 +/- 1.50   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.12 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.02, residual support = 219.1:
    *   T QD    LYS+  38 - HA    LYS+  38   3.46 +/- 0.46  90.731% * 97.0123% (1.00 10.00   6.02 219.14) =  99.994%  kept
        T QD    LYS+  38 - HA    GLU- 100   5.64 +/- 1.52   8.100% *  0.0586% (0.06 10.00   0.02   0.02) =   0.005%
          QD    LYS+ 102 - HA    GLU- 100   8.05 +/- 1.03   1.063% *  0.0047% (0.05  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+  38  12.21 +/- 1.40   0.061% *  0.0777% (0.80  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+  38  20.11 +/- 0.77   0.003% *  0.8955% (0.92 10.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    LYS+  38  20.61 +/- 1.10   0.003% *  0.9362% (0.97 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    LYS+  38  20.73 +/- 0.81   0.003% *  0.3309% (0.34 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  38  19.29 +/- 3.11   0.005% *  0.0870% (0.90  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    GLU- 100  18.28 +/- 1.78   0.006% *  0.0566% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+  38  21.19 +/- 5.16   0.004% *  0.0549% (0.57  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  21.63 +/- 1.60   0.002% *  0.0541% (0.06 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  38  30.31 +/- 2.38   0.000% *  0.2994% (0.31 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  20.52 +/- 1.49   0.003% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  18.19 +/- 3.76   0.009% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  27.31 +/- 1.14   0.001% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  21.35 +/- 5.30   0.004% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  27.50 +/- 0.70   0.000% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  28.30 +/- 2.07   0.000% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  25.54 +/- 0.89   0.001% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  25.14 +/- 0.44   0.001% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.13 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 219.1:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.92 +/- 0.12  99.385% * 99.6785% (1.00  10.0 10.00   6.59 219.14) =  99.999%  kept
        T HA    GLU- 100 - HB2   LYS+  38   7.54 +/- 1.46   0.614% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HB2   LYS+  38  20.41 +/- 0.72   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  23.66 +/- 1.17   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  29.03 +/- 1.02   0.000% *  0.0154% (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 354 (2.18, 2.18, 29.57 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  38 - HB2   LYS+  38  (1.00)  kept
 
    Peak 355 (1.88, 2.18, 29.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 219.1:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  99.993% * 98.9214% (1.00  10.0 10.00   5.44 219.14) = 100.000%  kept
          QB    LYS+  33 - HB2   LYS+  38   8.90 +/- 0.42   0.006% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  14.09 +/- 0.88   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  15.43 +/- 1.62   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  18.93 +/- 0.61   0.000% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  17.73 +/- 0.89   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  17.52 +/- 0.84   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  31.70 +/- 1.24   0.000% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  28.31 +/- 1.74   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  27.05 +/- 0.84   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  28.36 +/- 1.18   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  30.55 +/- 1.04   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  32.91 +/- 1.35   0.000% *  0.0275% (0.28   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 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 219.1:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.67 +/- 0.18  99.824% * 98.5858% (1.00  10.0 10.00   6.08 219.14) =  99.999%  kept
        T HG2   LYS+  99 - HB2   LYS+  38   8.16 +/- 0.81   0.152% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HB2   LYS+  38  12.61 +/- 0.40   0.010% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  38  17.56 +/- 6.08   0.007% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  14.24 +/- 1.12   0.005% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  20.12 +/- 1.56   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  24.01 +/- 1.68   0.000% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  21.41 +/- 0.56   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  22.44 +/- 0.61   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  24.03 +/- 0.79   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  31.39 +/- 2.84   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 219.1:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.62 +/- 0.39  98.371% * 99.1122% (1.00  10.0 10.00   5.74 219.14) =  99.998%  kept
          QG2   THR   39 - HB2   LYS+  38   6.11 +/- 0.33   0.851% *  0.0889% (0.90   1.0  1.00   0.02  27.76) =   0.001%
        T HG3   LYS+  99 - HB2   LYS+  38   8.71 +/- 1.29   0.164% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HB2   LYS+  38   6.50 +/- 0.13   0.553% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  38  10.22 +/- 1.26   0.058% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  38  17.73 +/- 2.41   0.002% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  20.23 +/- 0.83   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  38  23.12 +/- 1.34   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  25.53 +/- 1.37   0.000% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  22.65 +/- 0.73   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (3.78, 1.88, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 219.1:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.69 +/- 0.12  99.039% * 99.5407% (1.00  10.0 10.00   5.89 219.14) =  99.998%  kept
        T HA    GLU- 100 - HB3   LYS+  38   6.50 +/- 1.42   0.961% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   24 - HB3   LYS+  38  20.30 +/- 0.84   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   LYS+  38  28.32 +/- 0.97   0.000% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  23.11 +/- 1.18   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 219.1:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  99.999% * 99.2933% (1.00  10.0 10.00   5.44 219.14) = 100.000%  kept
          HB    VAL   70 - HB3   LYS+  38  12.53 +/- 0.84   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  18.88 +/- 0.35   0.000% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  16.69 +/- 0.42   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  18.90 +/- 1.60   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  31.35 +/- 1.04   0.000% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  22.55 +/- 0.65   0.000% *  0.0339% (0.34   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 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 = 219.1:
    * O T HG2   LYS+  38 - HB3   LYS+  38   2.99 +/- 0.06  98.773% * 98.5858% (1.00  10.0 10.00   5.63 219.14) =  99.988%  kept
        T HG2   LYS+  99 - HB3   LYS+  38   6.56 +/- 0.79   1.168% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.012%
          HB2   LEU   31 - HB3   LYS+  38  12.64 +/- 0.41   0.018% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  38  16.73 +/- 6.06   0.019% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+  38  13.11 +/- 1.14   0.018% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  19.36 +/- 1.46   0.002% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  23.17 +/- 1.76   0.001% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  20.74 +/- 0.53   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  21.90 +/- 0.67   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  23.67 +/- 0.83   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  30.06 +/- 2.87   0.000% *  0.0789% (0.80   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 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.39, residual support = 219.1:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.70 +/- 0.15  97.908% * 98.2829% (1.00  10.0 10.00   5.39 219.14) =  99.997%  kept
        T HG3   LYS+  99 - HB3   LYS+  38   7.07 +/- 1.26   0.553% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HB3   LYS+  38   5.99 +/- 0.26   0.872% *  0.0881% (0.90   1.0  1.00   0.02  27.76) =   0.001%
          QB    ALA   34 - HB3   LYS+  38   6.33 +/- 0.12   0.622% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HB3   LYS+  38  10.23 +/- 1.24   0.042% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HB3   LYS+  38  22.33 +/- 1.28   0.000% *  0.9297% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   LYS+  38  17.93 +/- 2.39   0.002% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  20.36 +/- 0.79   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  24.78 +/- 1.50   0.000% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  22.34 +/- 0.76   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 364 (1.67, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 219.1:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.21 +/- 0.15  99.996% * 98.0597% (1.00  10.0 10.00   4.63 219.14) = 100.000%  kept
          QD    LYS+ 102 - HB3   LYS+  38  13.00 +/- 1.48   0.003% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+  38  20.37 +/- 0.86   0.000% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB3   LYS+  38  22.37 +/- 0.89   0.000% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB3   LYS+  38  18.97 +/- 3.31   0.000% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  20.49 +/- 5.43   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  22.87 +/- 1.12   0.000% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  30.69 +/- 2.58   0.000% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  28.64 +/- 1.20   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  28.88 +/- 0.70   0.000% *  0.0218% (0.22   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 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.91, residual support = 219.1:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.47 +/- 0.44  96.487% * 99.3217% (1.00  10.0 10.00   6.91 219.14) =  99.996%  kept
        T HA    GLU- 100 - HG2   LYS+  99   4.86 +/- 0.37   2.454% *  0.0603% (0.06   1.0 10.00   0.02  39.92) =   0.002%
        T HA    GLU- 100 - HG2   LYS+  38   6.33 +/- 1.65   0.629% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  38 - HG2   LYS+  99   6.67 +/- 0.97   0.427% *  0.2707% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HG2   LYS+  38  19.64 +/- 0.84   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  18.96 +/- 1.50   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  22.56 +/- 1.23   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  20.13 +/- 1.35   0.001% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  29.65 +/- 0.76   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  25.07 +/- 1.26   0.000% *  0.0042% (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 366 (2.18, 1.32, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 219.1:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.67 +/- 0.18  99.809% * 99.4277% (1.00  10.0 10.00   6.08 219.14) = 100.000%  kept
        T HB2   LYS+  38 - HG2   LYS+  99   8.16 +/- 0.81   0.151% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  99  10.97 +/- 0.99   0.025% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  14.24 +/- 0.91   0.006% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  15.42 +/- 0.63   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  38  17.55 +/- 0.63   0.001% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  19.68 +/- 1.79   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  21.51 +/- 0.77   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  20.03 +/- 1.46   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  18.34 +/- 1.48   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  19.07 +/- 1.74   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  22.62 +/- 1.25   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  31.39 +/- 1.14   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  27.28 +/- 1.42   0.000% *  0.0143% (0.14   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 367 (1.88, 1.32, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 219.1:
    * O T HB3   LYS+  38 - HG2   LYS+  38   2.99 +/- 0.06  98.487% * 98.9095% (1.00  10.0 10.00   5.63 219.14) =  99.997%  kept
        T HB3   LYS+  38 - HG2   LYS+  99   6.56 +/- 0.79   1.164% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+  33 - HG2   LYS+  38   8.89 +/- 0.33   0.145% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  38  13.71 +/- 0.90   0.012% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  10.58 +/- 1.01   0.060% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.60 +/- 0.58   0.052% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   LYS+  99  11.99 +/- 1.01   0.028% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  99  14.39 +/- 1.75   0.012% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  12.77 +/- 0.62   0.017% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  18.56 +/- 0.68   0.002% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  16.58 +/- 1.18   0.004% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  38  16.95 +/- 1.67   0.004% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  17.80 +/- 1.17   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  14.54 +/- 1.79   0.010% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  28.71 +/- 1.48   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  23.28 +/- 1.36   0.000% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  26.23 +/- 0.95   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  30.23 +/- 1.14   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  29.21 +/- 0.88   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  24.97 +/- 0.74   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  24.94 +/- 1.56   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  24.27 +/- 1.18   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  30.96 +/- 1.38   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  26.69 +/- 1.82   0.000% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  33.32 +/- 1.23   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  29.02 +/- 1.22   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.44, residual support = 214.9:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  49.943% * 89.3422% (1.00  10.0 10.00   6.42 219.14) =  90.721%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  49.943% *  9.1383% (0.10  10.0 10.00   6.61 173.01) =   9.279%  kept
        T HG3   LYS+  38 - HG2   LYS+  99   7.75 +/- 1.24   0.011% *  0.2435% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG2   LYS+  38   6.13 +/- 0.32   0.029% *  0.0715% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+  38   8.63 +/- 1.21   0.005% *  0.3353% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  38   7.09 +/- 0.80   0.019% *  0.0801% (0.90   1.0  1.00   0.02  27.76) =   0.000%
          QB    ALA   34 - HG2   LYS+  99   6.77 +/- 0.97   0.032% *  0.0195% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  99   7.20 +/- 0.94   0.015% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  10.59 +/- 1.23   0.001% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  10.74 +/- 1.34   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  38  22.72 +/- 0.82   0.000% *  0.3048% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  18.35 +/- 2.42   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  20.31 +/- 1.14   0.000% *  0.0831% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  19.77 +/- 0.77   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  18.13 +/- 2.56   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  23.40 +/- 1.26   0.000% *  0.0845% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  18.96 +/- 1.24   0.000% *  0.0230% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  25.15 +/- 1.34   0.000% *  0.0801% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  21.16 +/- 2.24   0.000% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  19.83 +/- 0.95   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 = 219.1:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.40 +/- 0.17  99.342% * 96.4250% (1.00  10.0 10.00   5.75 219.14) =  99.998%  kept
        T QD    LYS+  38 - HG2   LYS+  99   6.13 +/- 1.04   0.563% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG2   LYS+  99   8.84 +/- 1.70   0.079% *  0.2104% (0.22   1.0 10.00   0.02   1.70) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  38  13.00 +/- 1.74   0.005% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  38  21.64 +/- 1.05   0.000% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  14.28 +/- 3.68   0.005% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  99  19.78 +/- 1.39   0.000% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  38  22.89 +/- 0.77   0.000% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  17.30 +/- 5.27   0.003% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  99  20.35 +/- 1.11   0.000% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  38  20.91 +/- 2.69   0.000% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  22.45 +/- 1.22   0.000% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  22.71 +/- 5.03   0.000% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  20.06 +/- 1.47   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  25.56 +/- 2.36   0.000% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  32.23 +/- 2.58   0.000% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  29.46 +/- 1.09   0.000% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  24.52 +/- 0.91   0.000% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  29.62 +/- 0.76   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  24.31 +/- 0.52   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (3.78, 1.26, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 219.1:
    * O T HA    LYS+  38 - HG3   LYS+  38   2.96 +/- 0.67  92.321% * 99.5416% (1.00  10.0 10.00   6.59 219.14) =  99.994%  kept
        T HA    GLU- 100 - HG3   LYS+  38   6.45 +/- 1.59   1.576% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLU- 100 - HG3   LYS+  99   5.43 +/- 0.58   5.014% *  0.0231% (0.02   1.0 10.00   0.02  39.92) =   0.001%
        T HA    LYS+  38 - HG3   LYS+  99   7.37 +/- 1.39   1.083% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HG3   LYS+  38  20.36 +/- 1.09   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  19.47 +/- 1.50   0.002% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  23.12 +/- 1.60   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  20.40 +/- 1.34   0.002% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  29.93 +/- 0.87   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  25.10 +/- 1.31   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.06 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 219.1:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.62 +/- 0.39  99.791% * 99.6340% (1.00  10.0 10.00   5.74 219.14) = 100.000%  kept
        T HB2   LYS+  38 - HG3   LYS+  99   8.71 +/- 1.29   0.167% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  14.42 +/- 0.69   0.006% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  38  18.41 +/- 0.62   0.001% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  16.31 +/- 0.59   0.003% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99  11.21 +/- 1.48   0.028% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  20.10 +/- 1.71   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  22.34 +/- 0.82   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  20.72 +/- 1.69   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  19.08 +/- 1.74   0.001% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  31.84 +/- 1.84   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  19.43 +/- 1.87   0.001% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  23.24 +/- 1.34   0.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  27.36 +/- 1.33   0.000% *  0.0055% (0.05   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 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.39, residual support = 219.1:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.70 +/- 0.15  99.264% * 98.2474% (1.00  10.0 10.00   5.39 219.14) =  99.999%  kept
        T HB3   LYS+  38 - HG3   LYS+  99   7.07 +/- 1.26   0.561% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HG3   LYS+  38   9.63 +/- 0.34   0.052% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  38  14.48 +/- 0.97   0.004% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.27 +/- 0.91   0.042% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99  10.54 +/- 0.69   0.034% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  38  28.93 +/- 1.70   0.000% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.66 +/- 0.58   0.010% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  18.65 +/- 1.13   0.001% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  12.66 +/- 1.43   0.013% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  99  15.03 +/- 1.99   0.005% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  16.65 +/- 1.32   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  38  16.95 +/- 1.56   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  17.73 +/- 1.37   0.001% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  23.24 +/- 1.66   0.000% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  14.66 +/- 2.18   0.006% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  26.78 +/- 1.19   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  30.56 +/- 1.39   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  29.46 +/- 0.95   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  31.37 +/- 2.12   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  24.97 +/- 0.86   0.000% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  24.97 +/- 1.64   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  24.54 +/- 1.16   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  33.67 +/- 1.36   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  26.73 +/- 1.70   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  29.08 +/- 1.18   0.000% *  0.0029% (0.03   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 374 (1.32, 1.26, 25.69 ppm):
    22 chemical-shift based assignments, quality = 0.917, support = 6.44, residual support = 214.9:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.989% * 89.3736% (1.00  10.0 10.00   6.42 219.14) =  90.721%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.989% *  9.1415% (0.10  10.0 10.00   6.61 173.01) =   9.279%  kept
        T HG2   LYS+  99 - HG3   LYS+  38   7.75 +/- 1.24   0.011% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   8.63 +/- 1.21   0.005% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.21 +/- 0.95   0.000% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.81 +/- 0.67   0.004% *  0.0014% (0.02   1.0  1.00   0.02  17.63) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.81 +/- 1.62   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  18.50 +/- 5.85   0.000% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.36 +/- 1.49   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  14.74 +/- 5.76   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  23.45 +/- 2.27   0.000% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  21.14 +/- 1.30   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  24.49 +/- 2.92   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  22.49 +/- 1.16   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  23.88 +/- 1.12   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.96 +/- 0.99   0.000% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  16.66 +/- 1.66   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  19.32 +/- 2.05   0.000% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.68 +/- 0.94   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.12 +/- 1.01   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  31.54 +/- 2.89   0.000% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  21.61 +/- 1.23   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 = 5.4, residual support = 219.1:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.36 +/- 0.16  99.471% * 97.6899% (1.00  10.0 10.00   5.40 219.14) =  99.999%  kept
        T QD    LYS+  38 - HG3   LYS+  99   6.62 +/- 1.01   0.449% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  99   8.83 +/- 1.51   0.065% *  0.0816% (0.08   1.0 10.00   0.02   1.70) =   0.000%
          QD    LYS+ 102 - HG3   LYS+  38  12.95 +/- 1.70   0.005% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  38  21.89 +/- 0.92   0.000% *  0.9018% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  13.96 +/- 3.90   0.006% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  38  23.44 +/- 1.09   0.000% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  19.97 +/- 1.61   0.000% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  20.77 +/- 2.95   0.000% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  22.55 +/- 5.09   0.000% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  16.99 +/- 5.42   0.002% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  23.05 +/- 1.54   0.000% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  20.71 +/- 1.46   0.000% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  32.25 +/- 2.47   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  25.22 +/- 2.48   0.000% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  20.38 +/- 1.42   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  29.82 +/- 1.60   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  29.94 +/- 1.25   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  24.58 +/- 0.78   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  24.32 +/- 0.48   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.01, residual support = 219.1:
    *   T HA    LYS+  38 - QD    LYS+  38   3.46 +/- 0.46  91.417% * 98.6212% (1.00 10.00   6.02 219.14) =  99.980%  kept
        T HA    GLU- 100 - QD    LYS+  38   5.64 +/- 1.52   8.134% *  0.2196% (0.22 10.00   0.02   0.02) =   0.020%
        T HD2   PRO   58 - QD    LYS+  65  11.27 +/- 1.36   0.133% *  0.0278% (0.03 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   LYS+  74  11.53 +/- 1.34   0.099% *  0.0334% (0.03 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+  74  11.13 +/- 1.39   0.134% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - HD2   LYS+  74  14.84 +/- 1.34   0.019% *  0.0428% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - QD    LYS+  65  20.11 +/- 0.77   0.003% *  0.1802% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+  74  20.73 +/- 0.81   0.003% *  0.2163% (0.22 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  38  21.06 +/- 1.33   0.002% *  0.1952% (0.20 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  38  18.97 +/- 0.99   0.004% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+  74  20.52 +/- 1.49   0.003% *  0.0481% (0.05 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  21.63 +/- 1.60   0.002% *  0.0401% (0.04 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - QD    LYS+  38  26.75 +/- 0.88   0.001% *  0.1522% (0.15 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  14.38 +/- 2.41   0.038% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  65  24.12 +/- 1.55   0.001% *  0.0357% (0.04 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  20.26 +/- 1.60   0.003% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  30.31 +/- 2.38   0.000% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  28.30 +/- 2.07   0.000% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  27.13 +/- 2.45   0.001% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  25.06 +/- 3.11   0.002% *  0.0015% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 378 (2.18, 1.67, 29.90 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 219.1:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.85 +/- 0.40  79.124% * 99.6020% (1.00  10.0   5.07 219.14) =  99.999%  kept
          QG    GLN   17 - QD    LYS+  65   5.37 +/- 2.10  20.632% *  0.0045% (0.05   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HD2   LYS+  74   9.50 +/- 1.58   0.135% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  38  12.83 +/- 0.85   0.015% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65  10.27 +/- 0.93   0.048% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  38  17.64 +/- 0.61   0.002% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  38  15.81 +/- 0.62   0.004% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  13.96 +/- 1.56   0.010% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  16.04 +/- 1.42   0.004% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - QD    LYS+  38  18.47 +/- 1.48   0.002% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  16.90 +/- 1.98   0.003% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  13.53 +/- 1.32   0.009% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  15.76 +/- 1.19   0.004% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  21.01 +/- 0.82   0.001% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  20.52 +/- 0.94   0.001% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  21.01 +/- 3.52   0.002% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  22.69 +/- 0.97   0.000% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  21.87 +/- 1.64   0.001% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  28.61 +/- 1.15   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  20.40 +/- 1.30   0.001% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  21.85 +/- 1.61   0.000% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  25.98 +/- 1.74   0.000% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  21.75 +/- 2.75   0.001% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  23.53 +/- 2.28   0.000% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  32.00 +/- 2.56   0.000% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  33.73 +/- 2.29   0.000% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  32.21 +/- 2.56   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  33.32 +/- 2.27   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 219.1:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.21 +/- 0.15  99.750% * 98.4611% (1.00  10.0 10.00   4.63 219.14) = 100.000%  kept
          QB    LYS+  33 - QD    LYS+  38   9.71 +/- 0.40   0.014% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  65   8.86 +/- 1.38   0.049% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65   9.89 +/- 1.73   0.100% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HD2   LYS+ 111  12.42 +/- 1.26   0.004% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  38  13.88 +/- 1.03   0.002% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  10.45 +/- 2.56   0.022% *  0.0072% (0.07   1.0  1.00   0.02   2.08) =   0.000%
        T QB    LYS+  33 - HD2   LYS+  74  14.52 +/- 1.17   0.002% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  11.62 +/- 0.94   0.006% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  13.41 +/- 2.88   0.014% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  12.56 +/- 1.32   0.004% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  12.63 +/- 1.64   0.004% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  14.08 +/- 1.50   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  16.32 +/- 0.78   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  14.42 +/- 1.30   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QD    LYS+  65  20.37 +/- 0.86   0.000% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  14.31 +/- 1.73   0.002% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  15.18 +/- 1.04   0.001% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  12.55 +/- 1.85   0.005% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  14.97 +/- 1.52   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  13.99 +/- 1.33   0.002% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+  74  22.37 +/- 0.89   0.000% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  14.32 +/- 1.28   0.002% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  16.92 +/- 1.34   0.001% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  15.31 +/- 2.19   0.001% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  15.67 +/- 1.41   0.001% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  16.98 +/- 1.99   0.001% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  16.27 +/- 3.03   0.001% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  17.44 +/- 1.42   0.001% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  25.68 +/- 1.43   0.000% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  17.23 +/- 1.17   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  15.30 +/- 2.41   0.001% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  24.40 +/- 1.09   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  17.83 +/- 1.65   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  17.78 +/- 2.11   0.001% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  16.27 +/- 2.30   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  27.26 +/- 1.14   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  26.32 +/- 1.01   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  21.49 +/- 1.51   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  18.87 +/- 1.11   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  20.47 +/- 3.13   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  30.69 +/- 2.58   0.000% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  28.15 +/- 1.34   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  23.38 +/- 1.55   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  30.22 +/- 1.17   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  22.79 +/- 1.22   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  25.87 +/- 1.77   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  24.29 +/- 2.85   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  20.54 +/- 1.96   0.000% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  27.79 +/- 2.11   0.000% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  24.24 +/- 3.98   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  28.16 +/- 2.03   0.000% *  0.0030% (0.03   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 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.981, support = 5.76, residual support = 221.0:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.40 +/- 0.17  73.408% * 91.2181% (1.00  10.0 10.00   5.75 219.14) =  98.014%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.91 +/- 0.10  24.610% *  5.4974% (0.06  10.0 10.00   6.21 315.47) =   1.980%  kept
        T HG2   LYS+  99 - QD    LYS+  38   6.13 +/- 1.04   0.439% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.006%
          HB3   ASP-  44 - HD2   LYS+  74   5.29 +/- 0.98   1.342% *  0.0068% (0.07   1.0  1.00   0.02   6.08) =   0.000%
          QG2   THR   77 - HD2   LYS+  74   7.93 +/- 1.23   0.089% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.35 +/- 0.57   0.051% *  0.0075% (0.08   1.0  1.00   0.02   1.48) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  11.80 +/- 0.67   0.005% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74  10.89 +/- 1.24   0.012% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  11.23 +/- 1.18   0.008% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  15.85 +/- 5.35   0.004% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.24 +/- 1.20   0.005% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  20.39 +/- 2.52   0.000% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.78 +/- 1.39   0.000% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+  74  20.35 +/- 1.11   0.000% *  0.1961% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  21.36 +/- 2.49   0.000% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.64 +/- 1.49   0.005% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.65 +/- 2.69   0.000% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.64 +/- 1.05   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+  74  22.89 +/- 0.77   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  16.07 +/- 1.37   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  20.91 +/- 1.70   0.000% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.18 +/- 1.74   0.004% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  18.80 +/- 1.25   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  16.00 +/- 0.87   0.001% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  15.89 +/- 2.48   0.004% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.90 +/- 2.93   0.004% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  20.34 +/- 0.83   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.82 +/- 0.65   0.000% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  21.91 +/- 1.11   0.000% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.47 +/- 1.27   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  17.32 +/- 2.04   0.001% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.59 +/- 2.54   0.002% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  14.89 +/- 1.25   0.002% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.56 +/- 2.36   0.000% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  20.95 +/- 1.25   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  22.67 +/- 0.93   0.000% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.52 +/- 1.54   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  20.33 +/- 2.10   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  32.23 +/- 2.58   0.000% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  19.08 +/- 1.26   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.22 +/- 1.70   0.000% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  24.98 +/- 2.86   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.18 +/- 1.71   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  29.45 +/- 2.42   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (1.26, 1.67, 29.90 ppm):
    40 chemical-shift based assignments, quality = 0.973, support = 5.41, residual support = 218.2:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.36 +/- 0.16  70.380% * 91.1914% (1.00  10.0 10.00   5.40 219.14) =  97.036%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.78 +/- 0.21  28.717% *  6.8213% (0.07  10.0 10.00   5.54 187.57) =   2.962%  kept
        T HG3   LYS+  99 - QD    LYS+  38   6.62 +/- 1.01   0.286% *  0.3423% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - QD    LYS+  38   6.60 +/- 0.53   0.189% *  0.0730% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  38   6.85 +/- 0.50   0.153% *  0.0818% (0.90   1.0  1.00   0.02  27.76) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74   8.69 +/- 1.47   0.090% *  0.0113% (0.12   1.0  1.00   0.02   8.27) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   9.79 +/- 1.90   0.030% *  0.0189% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111   9.03 +/- 1.72   0.071% *  0.0065% (0.07   1.0  1.00   0.02   2.08) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.72 +/- 1.02   0.009% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  13.24 +/- 2.34   0.004% *  0.0568% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74   9.90 +/- 1.53   0.019% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  10.06 +/- 1.43   0.016% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  12.24 +/- 1.75   0.006% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  11.81 +/- 1.06   0.005% *  0.0158% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  11.84 +/- 0.67   0.005% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.34 +/- 0.91   0.000% *  0.3111% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  13.17 +/- 0.70   0.002% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.68 +/- 1.03   0.002% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  17.68 +/- 2.03   0.000% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  13.95 +/- 2.59   0.004% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.92 +/- 1.03   0.003% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  65  21.89 +/- 0.92   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  14.79 +/- 0.92   0.001% *  0.0133% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  23.44 +/- 1.09   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.97 +/- 1.16   0.000% *  0.0863% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.97 +/- 1.61   0.000% *  0.0625% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  20.71 +/- 1.46   0.000% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  19.01 +/- 0.71   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  14.03 +/- 1.12   0.002% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.78 +/- 1.32   0.000% *  0.0818% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  21.65 +/- 2.72   0.000% *  0.0234% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  19.05 +/- 1.47   0.000% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  17.49 +/- 1.77   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  25.22 +/- 2.48   0.000% *  0.0258% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  32.25 +/- 2.47   0.000% *  0.0686% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  22.59 +/- 2.23   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  23.07 +/- 1.84   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  25.17 +/- 2.29   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  26.50 +/- 2.47   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.54 +/- 2.27   0.000% *  0.0021% (0.02   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 382 (1.67, 1.67, 29.90 ppm):
    4 diagonal assignments:
    *     QD    LYS+  38 - QD    LYS+  38  (1.00)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.17)  kept
          HD2   LYS+  74 - HD2   LYS+  74  (0.07)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 383 (4.27, 4.27, 62.55 ppm):
    2 diagonal assignments:
    *     HA    THR   39 - HA    THR   39  (1.00)  kept
          HA    ILE  103 - HA    ILE  103  (0.24)  kept
 
    Peak 384 (3.86, 4.27, 62.55 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.5:
    * O T HB    THR   39 - HA    THR   39   2.98 +/- 0.14  96.575% * 98.6574% (1.00  10.0 10.00   3.00  38.55) =  99.997%  kept
          HB3   SER   37 - HA    THR   39   5.31 +/- 0.38   3.273% *  0.0952% (0.97   1.0  1.00   0.02   2.75) =   0.003%
        T HB    THR   39 - HA    ILE  103  12.99 +/- 0.62   0.016% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR   39  15.86 +/- 3.88   0.051% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   39  11.32 +/- 0.54   0.034% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  12.84 +/- 2.12   0.022% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  14.40 +/- 2.15   0.012% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  17.78 +/- 2.25   0.003% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  16.00 +/- 0.97   0.004% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  17.51 +/- 1.88   0.003% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  15.55 +/- 1.26   0.006% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  23.74 +/- 1.58   0.000% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  24.14 +/- 1.49   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  23.88 +/- 1.34   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    THR   39  29.98 +/- 1.26   0.000% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  23.82 +/- 2.81   0.001% *  0.0325% (0.33   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 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.5:
    * O T QG2   THR   39 - HA    THR   39   2.26 +/- 0.33  97.252% * 97.0314% (0.87  10.0 10.00   3.00  38.55) =  99.998%  kept
          QB    ALA   34 - HA    THR   39   4.86 +/- 0.31   1.435% *  0.0934% (0.84   1.0  1.00   0.02   8.50) =   0.001%
          HG3   LYS+  99 - HA    THR   39   7.04 +/- 1.51   0.700% *  0.0382% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   39   6.57 +/- 0.50   0.221% *  0.1116% (1.00   1.0  1.00   0.02  27.76) =   0.000%
          HG    LEU   71 - HA    THR   39   6.61 +/- 1.14   0.265% *  0.0311% (0.28   1.0  1.00   0.02   0.23) =   0.000%
        T QG2   THR   39 - HA    ILE  103  11.30 +/- 0.53   0.012% *  0.3206% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE  103   9.07 +/- 0.76   0.035% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    ILE  103  15.03 +/- 2.50   0.002% *  0.3206% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE  103   8.30 +/- 0.49   0.060% *  0.0126% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    THR   39  13.86 +/- 2.39   0.006% *  0.0589% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    THR   39  18.31 +/- 0.79   0.000% *  0.5445% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   39  22.38 +/- 1.28   0.000% *  0.9703% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ILE  103  17.17 +/- 0.87   0.001% *  0.1799% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  14.54 +/- 1.25   0.002% *  0.0369% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  15.16 +/- 1.33   0.001% *  0.0357% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   39  19.02 +/- 1.37   0.000% *  0.1080% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  13.00 +/- 0.70   0.004% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  18.49 +/- 0.88   0.000% *  0.0345% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  18.57 +/- 1.48   0.001% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  16.90 +/- 0.95   0.001% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.02 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.5:
    * O T HA    THR   39 - HB    THR   39   2.98 +/- 0.14  99.957% * 98.7925% (1.00  10.0 10.00   3.00  38.55) = 100.000%  kept
        T HA    ILE  103 - HB    THR   39  12.99 +/- 0.62   0.016% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  18.29 +/- 3.58   0.017% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    THR   39  15.00 +/- 0.75   0.007% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  20.43 +/- 1.03   0.001% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  23.98 +/- 0.82   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  23.57 +/- 0.69   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  24.92 +/- 1.17   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  29.55 +/- 1.47   0.000% *  0.0968% (0.98   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 387 (3.86, 3.86, 70.88 ppm):
    1 diagonal assignment:
    *     HB    THR   39 - HB    THR   39  (1.00)  kept
 
    Peak 388 (1.26, 3.86, 70.88 ppm):
    10 chemical-shift based assignments, quality = 0.865, support = 2.98, residual support = 36.0:
    * O T QG2   THR   39 - HB    THR   39   2.16 +/- 0.02  83.024% * 50.3520% (0.87  10.0 10.00   2.99  38.55) =  91.513%  kept
        T QB    ALA   34 - HB    THR   39   3.46 +/- 0.64   7.993% * 48.4853% (0.84   1.0 10.00   2.82   8.50) =   8.483%  kept
          HG    LEU   71 - HB    THR   39   4.07 +/- 1.36   8.913% *  0.0161% (0.28   1.0  1.00   0.02   0.23) =   0.003%
        T HG3   LYS+  99 - HB    THR   39   9.06 +/- 1.39   0.026% *  0.1980% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    THR   39   7.91 +/- 0.43   0.037% *  0.0579% (1.00   1.0  1.00   0.02  27.76) =   0.000%
          HG13  ILE   19 - HB    THR   39  11.40 +/- 2.38   0.007% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   39  16.15 +/- 1.01   0.000% *  0.2825% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HB    THR   39  21.45 +/- 1.23   0.000% *  0.5035% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    THR   39  18.43 +/- 1.60   0.000% *  0.0560% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  16.42 +/- 0.97   0.000% *  0.0179% (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 389 (4.27, 1.26, 21.81 ppm):
    27 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.5:
    * O T HA    THR   39 - QG2   THR   39   2.26 +/- 0.33  93.780% * 96.3159% (0.87  10.0 10.00   3.00  38.55) =  99.998%  kept
          HB    THR   77 - QB    ALA   91   5.31 +/- 1.54   4.891% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QG2   THR   23   6.02 +/- 1.25   1.120% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ILE  103 - QG2   THR   39  11.30 +/- 0.53   0.010% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.000%
        T HB    THR   77 - QG2   THR   23  10.66 +/- 0.93   0.018% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA   91   9.88 +/- 2.35   0.047% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   91   8.37 +/- 0.63   0.055% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    ALA   91  15.03 +/- 2.50   0.002% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   91  11.34 +/- 1.93   0.016% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  15.08 +/- 2.96   0.012% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   91   9.91 +/- 0.98   0.019% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    ALA   91  11.85 +/- 1.28   0.008% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   23  17.17 +/- 0.87   0.001% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   39  12.55 +/- 0.46   0.005% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QG2   THR   23  18.31 +/- 0.79   0.000% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  12.44 +/- 1.03   0.007% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  13.31 +/- 0.81   0.003% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  16.28 +/- 1.60   0.002% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    ALA   91  22.38 +/- 1.28   0.000% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   39  16.53 +/- 0.88   0.001% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  18.74 +/- 2.35   0.001% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   39  20.77 +/- 0.82   0.000% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  20.19 +/- 0.66   0.000% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   23  19.14 +/- 3.13   0.001% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  21.66 +/- 1.03   0.000% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  24.44 +/- 1.17   0.000% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  29.66 +/- 2.47   0.000% *  0.0221% (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 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 2.99, residual support = 38.5:
    * O T HB    THR   39 - QG2   THR   39   2.16 +/- 0.02  91.833% * 97.9974% (0.87  10.0 10.00   2.99  38.55) =  99.993%  kept
          HB3   SER   37 - QG2   THR   39   4.18 +/- 0.66   4.503% *  0.0946% (0.84   1.0  1.00   0.02   2.75) =   0.005%
          HA    ILE   89 - QB    ALA   91   4.59 +/- 1.31   3.311% *  0.0447% (0.40   1.0  1.00   0.02   7.77) =   0.002%
          QB    SER   13 - QG2   THR   39  11.38 +/- 3.14   0.115% *  0.0978% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   23   8.18 +/- 1.41   0.053% *  0.0459% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   91   8.34 +/- 2.21   0.124% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   39   8.43 +/- 0.90   0.039% *  0.0244% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QG2   THR   23  16.15 +/- 1.01   0.001% *  0.5499% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23   9.87 +/- 0.93   0.012% *  0.0137% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  14.48 +/- 1.93   0.002% *  0.0634% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  12.49 +/- 0.83   0.003% *  0.0387% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  14.22 +/- 1.06   0.001% *  0.0531% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QB    ALA   91  21.45 +/- 1.23   0.000% *  0.4628% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  14.18 +/- 1.87   0.002% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   23  15.84 +/- 1.83   0.001% *  0.0549% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  16.86 +/- 0.97   0.000% *  0.0531% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  19.81 +/- 1.28   0.000% *  0.0946% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  19.56 +/- 1.33   0.000% *  0.0819% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  18.26 +/- 2.45   0.000% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  20.91 +/- 1.26   0.000% *  0.0356% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  24.05 +/- 1.36   0.000% *  0.0462% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  23.99 +/- 0.99   0.000% *  0.0447% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  19.63 +/- 0.83   0.000% *  0.0115% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  23.86 +/- 1.07   0.000% *  0.0302% (0.27   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 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 = 5.24, residual support = 104.3:
    * O T HB2   LEU   40 - HA    LEU   40   2.45 +/- 0.26  96.236% * 97.9662% (1.00  10.0 10.00   5.24 104.32) =  99.998%  kept
          HB3   GLU-  14 - HA    GLU-  15   4.63 +/- 0.73   3.535% *  0.0386% (0.39   1.0  1.00   0.02   1.18) =   0.001%
        T HB2   LEU   67 - HA    GLU-  15   9.24 +/- 1.99   0.086% *  0.1222% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    ASN   35   9.80 +/- 0.36   0.026% *  0.3673% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    LEU   40  11.34 +/- 1.67   0.019% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    GLU-  15  15.13 +/- 2.08   0.004% *  0.7922% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU-  15   8.76 +/- 0.39   0.054% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    LEU   40  11.71 +/- 0.93   0.010% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  12.80 +/- 2.32   0.014% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    LEU   40  18.24 +/- 3.09   0.007% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU   40  14.90 +/- 1.42   0.003% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    ASN   35  17.03 +/- 1.27   0.001% *  0.0567% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  18.74 +/- 1.10   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  16.56 +/- 1.07   0.001% *  0.0294% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  23.46 +/- 3.59   0.001% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  19.66 +/- 3.13   0.001% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  22.87 +/- 1.75   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  22.64 +/- 3.59   0.001% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  19.32 +/- 1.38   0.000% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  26.47 +/- 0.90   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  32.14 +/- 0.87   0.000% *  0.0223% (0.23   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 394 (1.48, 4.40, 56.43 ppm):
    30 chemical-shift based assignments, quality = 0.916, support = 5.45, residual support = 104.3:
    * O T HB3   LEU   40 - HA    LEU   40   2.83 +/- 0.28  69.957% * 70.6117% (1.00  10.0 10.00   5.47 104.32) =  86.500%  kept
      O T HG    LEU   40 - HA    LEU   40   3.36 +/- 0.40  29.090% * 26.5014% (0.38  10.0 10.00   5.30 104.32) =  13.499%  kept
          HG    LEU   67 - HA    GLU-  15   9.83 +/- 3.26   0.655% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ASN   35  10.04 +/- 0.37   0.036% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU-  15  14.20 +/- 2.04   0.009% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ASN   35  10.84 +/- 0.72   0.023% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LEU   40  11.74 +/- 1.86   0.033% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15   9.19 +/- 1.50   0.084% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    LEU   40  18.21 +/- 2.46   0.001% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    GLU-  15  10.44 +/- 1.22   0.038% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  11.69 +/- 1.45   0.019% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LEU   40  14.54 +/- 2.84   0.007% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    LEU   40  17.63 +/- 1.99   0.002% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  12.85 +/- 0.71   0.008% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  14.28 +/- 3.42   0.011% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    GLU-  15  20.30 +/- 1.62   0.001% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  14.77 +/- 1.67   0.005% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  18.21 +/- 2.21   0.002% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU   40  16.12 +/- 0.67   0.002% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  12.46 +/- 0.47   0.010% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ASN   35  25.28 +/- 2.39   0.000% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  20.47 +/- 1.73   0.001% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  17.34 +/- 1.01   0.002% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  17.32 +/- 1.99   0.002% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  24.64 +/- 1.94   0.000% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  20.81 +/- 2.86   0.001% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  19.33 +/- 0.90   0.001% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  21.60 +/- 2.79   0.001% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  21.57 +/- 3.52   0.001% *  0.0046% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  22.61 +/- 1.28   0.000% *  0.0059% (0.08   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 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.24, residual support = 104.3:
    * O T HA    LEU   40 - HB2   LEU   40   2.45 +/- 0.26  90.152% * 98.0349% (1.00  10.0 10.00   5.24 104.32) =  99.997%  kept
          HA    LYS+  99 - HB2   LEU   40   4.29 +/- 1.16   8.987% *  0.0244% (0.25   1.0  1.00   0.02  11.46) =   0.002%
        T HA    ASN   35 - HB2   LEU   40   9.80 +/- 0.36   0.026% *  0.3679% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   67   9.24 +/- 1.99   0.086% *  0.0855% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   40  12.78 +/- 5.90   0.097% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   40  15.13 +/- 2.08   0.003% *  0.9274% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   LEU   67  11.34 +/- 1.67   0.019% *  0.0904% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67  10.28 +/- 3.90   0.291% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   67   7.79 +/- 1.80   0.294% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   40  10.76 +/- 0.29   0.016% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   40  19.85 +/- 3.26   0.002% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   40  15.34 +/- 1.80   0.003% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  12.44 +/- 1.18   0.008% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   40  19.14 +/- 1.10   0.001% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  17.03 +/- 1.27   0.001% *  0.0339% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  15.11 +/- 1.71   0.002% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  20.18 +/- 0.57   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  20.27 +/- 1.25   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  13.63 +/- 2.15   0.007% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  15.71 +/- 1.54   0.002% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  15.30 +/- 1.49   0.002% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  17.99 +/- 1.53   0.001% *  0.0041% (0.04   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 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 = 0.975, support = 4.21, residual support = 103.8:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  83.465% * 69.9238% (1.00  10.0 10.00   4.22 104.32) =  96.281%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.69 +/- 0.25   7.519% * 26.2432% (0.38  10.0  1.00   4.73 104.32) =   3.255%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.61 +/- 0.25   8.951% *  3.1374% (0.04  10.0  1.00   5.19  62.34) =   0.463%
        T HB3   LEU   40 - HB2   LEU   67   9.14 +/- 1.90   0.012% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU   40  10.39 +/- 2.37   0.012% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   9.43 +/- 2.30   0.013% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  12.92 +/- 3.01   0.001% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   40  16.57 +/- 2.03   0.000% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.44 +/- 2.38   0.001% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   7.51 +/- 0.83   0.017% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  11.27 +/- 2.52   0.004% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  12.74 +/- 3.39   0.002% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  14.35 +/- 2.16   0.000% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  17.05 +/- 2.56   0.000% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  14.03 +/- 0.87   0.000% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  16.57 +/- 0.84   0.000% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  16.22 +/- 1.29   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67  13.56 +/- 1.51   0.001% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  13.67 +/- 2.92   0.001% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   67  14.11 +/- 1.18   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 = 5.47, residual support = 104.3:
    * O T HA    LEU   40 - HB3   LEU   40   2.83 +/- 0.28  90.209% * 97.9684% (1.00  10.0 10.00   5.47 104.32) =  99.998%  kept
          HA    LYS+  99 - HB3   LEU   40   5.03 +/- 1.32   6.580% *  0.0244% (0.25   1.0  1.00   0.02  11.46) =   0.002%
        T HA    ASN   35 - HB3   LEU   40  10.04 +/- 0.37   0.050% *  0.3677% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  115   6.44 +/- 1.57   2.766% *  0.0047% (0.05   1.0  1.00   0.02   0.33) =   0.000%
        T HA    GLU-  15 - HB3   LEU   40  14.20 +/- 2.04   0.011% *  0.9267% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU   40  12.33 +/- 5.68   0.158% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU   40  10.69 +/- 0.24   0.036% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  115   9.65 +/- 1.75   0.116% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU   40  14.39 +/- 1.87   0.011% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   LEU  115  17.63 +/- 1.99   0.002% *  0.1149% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  11.73 +/- 1.38   0.038% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU   40  19.02 +/- 2.92   0.002% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU   40  18.34 +/- 1.01   0.002% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  20.30 +/- 1.62   0.001% *  0.1087% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  13.61 +/- 1.26   0.010% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  19.64 +/- 0.66   0.001% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  19.69 +/- 1.17   0.001% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  15.80 +/- 1.47   0.004% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  24.64 +/- 1.94   0.000% *  0.0431% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  18.24 +/- 2.08   0.002% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  26.35 +/- 2.13   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  26.01 +/- 1.85   0.000% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 399 (1.94, 1.48, 42.31 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.22, residual support = 104.3:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  99.979% * 99.4293% (1.00  10.0 10.00   4.22 104.32) = 100.000%  kept
        T HB2   LEU   67 - HB3   LEU   40   9.14 +/- 1.90   0.015% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU   40  12.13 +/- 1.07   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  16.57 +/- 2.03   0.000% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  13.79 +/- 1.64   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  17.41 +/- 3.00   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  11.65 +/- 1.81   0.002% *  0.0093% (0.09   1.0  1.00   0.02   0.28) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  14.35 +/- 2.16   0.001% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.80 +/- 0.94   0.001% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  23.01 +/- 3.74   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  13.71 +/- 1.16   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  25.27 +/- 1.12   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  23.22 +/- 1.56   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  31.13 +/- 3.37   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 = 74.5:
    * O T HB    VAL   41 - HA    VAL   41   2.93 +/- 0.13  99.363% * 99.0830% (0.69  10.0 10.00   4.17  74.50) = 100.000%  kept
          QB    LYS+  33 - HA    VAL   41   7.63 +/- 0.51   0.377% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    VAL   41   9.54 +/- 0.92   0.101% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    VAL   41  11.17 +/- 1.21   0.043% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    VAL   41  11.39 +/- 0.52   0.030% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    VAL   41  12.96 +/- 1.69   0.022% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    VAL   41  12.92 +/- 1.23   0.022% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    VAL   41  11.36 +/- 0.75   0.033% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    VAL   41  17.30 +/- 4.04   0.005% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  22.91 +/- 1.10   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  18.93 +/- 1.14   0.002% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  18.94 +/- 0.63   0.001% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  23.06 +/- 1.28   0.000% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  21.96 +/- 0.75   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.09 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.22, residual support = 74.5:
    * O T QG1   VAL   41 - HA    VAL   41   2.52 +/- 0.21  94.994% * 98.7361% (1.00  10.0 10.00   4.22  74.50) =  99.996%  kept
          QG1   VAL   43 - HA    VAL   41   5.29 +/- 0.97   1.988% *  0.0934% (0.95   1.0  1.00   0.02   1.58) =   0.002%
          QD2   LEU   73 - HA    VAL   41   4.81 +/- 0.45   2.502% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HA    VAL   41   6.89 +/- 1.02   0.381% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HA    VAL   41  10.54 +/- 0.70   0.022% *  0.7546% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   41   8.77 +/- 0.84   0.062% *  0.1954% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   41   9.82 +/- 1.22   0.043% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   41  13.34 +/- 0.65   0.005% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   41  15.49 +/- 1.20   0.002% *  0.0220% (0.22   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 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 74.5:
    * O T QG2   VAL   41 - HA    VAL   41   2.38 +/- 0.39  97.652% * 99.7508% (1.00  10.0 10.00   3.97  74.50) =  99.998%  kept
          QD2   LEU   98 - HA    VAL   41   4.95 +/- 0.75   2.288% *  0.0944% (0.95   1.0  1.00   0.02  31.76) =   0.002%
          QD2   LEU   63 - HA    VAL   41   9.57 +/- 2.05   0.051% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    VAL   41  12.36 +/- 0.89   0.009% *  0.0944% (0.95   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 405 (4.88, 1.84, 34.57 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.17, residual support = 74.5:
    * O T HA    VAL   41 - HB    VAL   41   2.93 +/- 0.13  99.956% * 99.8595% (0.69  10.0 10.00   4.17  74.50) = 100.000%  kept
          HA    HIS  122 - HB    VAL   41  14.29 +/- 4.86   0.029% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB    VAL   41  12.75 +/- 0.49   0.015% *  0.0606% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.94, residual support = 74.5:
    * O T QG1   VAL   41 - HB    VAL   41   2.13 +/- 0.01  97.070% * 98.7361% (0.69  10.0 10.00   3.94  74.50) =  99.997%  kept
          QG1   VAL   43 - HB    VAL   41   4.48 +/- 1.08   2.351% *  0.0934% (0.65   1.0  1.00   0.02   1.58) =   0.002%
          HG    LEU   31 - HB    VAL   41   6.09 +/- 1.08   0.342% *  0.0599% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   41   7.41 +/- 1.00   0.081% *  0.1954% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB    VAL   41   6.50 +/- 0.63   0.146% *  0.0443% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB    VAL   41  12.00 +/- 0.84   0.003% *  0.7546% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   41  11.74 +/- 1.18   0.004% *  0.0305% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   41  13.53 +/- 0.76   0.002% *  0.0639% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  15.75 +/- 1.29   0.001% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (0.55, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 3.82, residual support = 72.9:
    * O T QG2   VAL   41 - HB    VAL   41   2.12 +/- 0.02  68.726% * 92.1481% (0.69  10.0 10.00   3.89  74.50) =  96.334%  kept
          QD2   LEU   98 - HB    VAL   41   2.70 +/- 0.72  31.262% *  7.7089% (0.65   1.0  1.00   1.77  31.76) =   3.666%  kept
          QD2   LEU   63 - HB    VAL   41  10.75 +/- 2.11   0.008% *  0.0559% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB    VAL   41  11.93 +/- 1.27   0.003% *  0.0872% (0.65   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 409 (4.88, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 74.5:
    * O T HA    VAL   41 - QG2   VAL   41   2.38 +/- 0.39  99.949% * 99.8595% (1.00  10.0 10.00   3.97  74.50) = 100.000%  kept
          HA    HIS  122 - QG2   VAL   41  12.75 +/- 3.91   0.034% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG2   VAL   41  10.44 +/- 0.82   0.017% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 3.89, residual support = 74.5:
    * O T HB    VAL   41 - QG2   VAL   41   2.12 +/- 0.02  99.600% * 99.0830% (0.69  10.0 10.00   3.89  74.50) = 100.000%  kept
          HG12  ILE  103 - QG2   VAL   41   6.67 +/- 1.04   0.162% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   VAL   41   6.54 +/- 0.72   0.160% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   VAL   41   8.39 +/- 0.94   0.034% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   VAL   41   9.78 +/- 1.37   0.016% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41   9.14 +/- 0.87   0.019% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   41  12.53 +/- 1.12   0.003% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   VAL   41  12.99 +/- 1.51   0.003% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   41  16.09 +/- 3.25   0.001% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  14.45 +/- 0.77   0.001% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  19.12 +/- 1.13   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  15.74 +/- 1.26   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  17.06 +/- 0.76   0.000% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  19.73 +/- 1.25   0.000% *  0.0647% (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 411 (0.76, 0.55, 21.65 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 3.88, residual support = 73.7:
    * O T QG1   VAL   41 - QG2   VAL   41   2.06 +/- 0.05  81.829% * 91.2432% (1.00  10.0 10.00   3.90  74.50) =  98.963%  kept
          QG1   VAL   43 - QG2   VAL   41   3.56 +/- 1.13  10.139% *  7.6752% (0.95   1.0  1.00   1.78   1.58) =   1.031%  kept
          HG    LEU   31 - QG2   VAL   41   3.94 +/- 1.25   6.332% *  0.0553% (0.61   1.0  1.00   0.02   0.02) =   0.005%
          QD2   LEU   73 - QG2   VAL   41   4.57 +/- 1.00   1.504% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU  104 - QG2   VAL   41   7.23 +/- 1.36   0.167% *  0.1806% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QG2   VAL   41   9.65 +/- 1.02   0.010% *  0.6973% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   41   9.08 +/- 1.09   0.016% *  0.0282% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QG2   VAL   41  10.99 +/- 0.89   0.004% *  0.0590% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   41  13.49 +/- 1.21   0.001% *  0.0203% (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 = 4.34, residual support = 87.3:
    * O T HB    VAL   42 - HA    VAL   42   2.94 +/- 0.04  93.227% * 97.8517% (0.87  10.0 10.00   4.34  87.33) =  99.993%  kept
          QB    LEU   98 - HA    VAL   42   5.15 +/- 0.84   5.115% *  0.0862% (0.76   1.0  1.00   0.02   0.62) =   0.005%
        T HB2   LYS+ 112 - HA    PHE   55   7.53 +/- 1.14   0.526% *  0.1824% (0.16   1.0 10.00   0.02   0.23) =   0.001%
          HB3   LEU   73 - HA    VAL   42   7.07 +/- 1.17   0.845% *  0.0903% (0.80   1.0  1.00   0.02   1.55) =   0.001%
          HG3   LYS+ 106 - HA    VAL   42   8.94 +/- 0.78   0.138% *  0.0639% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    VAL   42  13.08 +/- 3.06   0.049% *  0.0506% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    VAL   42  11.23 +/- 0.52   0.031% *  0.0549% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    VAL   42  12.50 +/- 0.66   0.017% *  0.1041% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HA    VAL   42  18.07 +/- 1.49   0.002% *  0.7749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    VAL   42  12.59 +/- 0.93   0.017% *  0.0862% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    VAL   42  15.13 +/- 1.22   0.006% *  0.0979% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    VAL   42  13.72 +/- 0.88   0.010% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    PHE   55  19.17 +/- 0.94   0.001% *  0.2303% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    VAL   42  17.99 +/- 2.01   0.002% *  0.1089% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  16.07 +/- 2.08   0.005% *  0.0230% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  17.56 +/- 1.30   0.002% *  0.0129% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  20.02 +/- 0.88   0.001% *  0.0213% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  19.33 +/- 1.78   0.001% *  0.0119% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  19.67 +/- 1.45   0.001% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  21.60 +/- 1.24   0.001% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  25.61 +/- 2.68   0.000% *  0.0256% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  21.37 +/- 1.20   0.001% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  28.93 +/- 1.38   0.000% *  0.0245% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  29.30 +/- 1.43   0.000% *  0.0203% (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 415 (0.37, 4.44, 60.39 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 87.3:
    * O T QG1   VAL   42 - HA    VAL   42   2.74 +/- 0.19  98.910% * 98.1799% (0.97  10.0 10.00   4.00  87.33) =  99.999%  kept
        T QB    ALA   64 - HA    VAL   42   8.12 +/- 0.81   0.185% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HA    PHE   55   9.68 +/- 0.81   0.063% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    PHE   55   6.94 +/- 1.30   0.819% *  0.0164% (0.16   1.0  1.00   0.02   0.23) =   0.000%
        T QB    ALA   47 - HA    VAL   42  14.50 +/- 0.59   0.005% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HA    PHE   55  14.09 +/- 0.82   0.006% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   64 - HA    PHE   55  13.28 +/- 0.94   0.009% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    VAL   42  17.12 +/- 2.08   0.003% *  0.0699% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (0.15, 4.44, 60.39 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 87.3:
    * O T QG2   VAL   42 - HA    VAL   42   2.14 +/- 0.19  99.917% * 99.6660% (0.80  10.0 10.00   4.00  87.33) = 100.000%  kept
          QG2   VAL   75 - HA    VAL   42   7.30 +/- 0.55   0.081% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HA    PHE   55  15.33 +/- 1.00   0.001% *  0.2346% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HA    PHE   55  15.52 +/- 0.68   0.001% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.34, residual support = 87.3:
    * O T HA    VAL   42 - HB    VAL   42   2.94 +/- 0.04  98.825% * 97.9628% (0.87  10.0 10.00   4.34  87.33) =  99.998%  kept
        T HA    PHE   55 - HB2   LYS+ 112   7.53 +/- 1.14   0.564% *  0.3914% (0.35   1.0 10.00   0.02   0.23) =   0.002%
          HA    ALA  110 - HB2   LYS+ 112   7.69 +/- 1.28   0.487% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    VAL   42  10.52 +/- 1.22   0.064% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - HB2   LYS+ 112  18.07 +/- 1.49   0.002% *  0.6913% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LYS+ 112  14.16 +/- 2.36   0.031% *  0.0364% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - HB    VAL   42  19.17 +/- 0.94   0.001% *  0.5546% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   42  13.73 +/- 0.48   0.010% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   42  14.12 +/- 0.39   0.008% *  0.0515% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  17.66 +/- 2.64   0.003% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  19.51 +/- 1.73   0.001% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  19.61 +/- 0.70   0.001% *  0.0368% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  20.76 +/- 2.65   0.002% *  0.0259% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  31.56 +/- 1.68   0.000% *  0.0419% (0.37   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 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 = 0.795, support = 4.58, residual support = 101.7:
    * O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.01  81.677% * 65.1690% (0.84  10.0 10.00   4.34  87.33) =  89.968%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.79 +/- 0.23  18.130% * 32.7352% (0.42  10.0 10.00   6.74 231.10) =  10.032%  kept
          QB    ALA   64 - HB    VAL   42   6.20 +/- 0.78   0.186% *  0.0134% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB2   LYS+ 112  12.77 +/- 1.91   0.004% *  0.4755% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  13.77 +/- 1.16   0.001% *  0.4599% (0.59   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  15.39 +/- 0.55   0.001% *  0.6738% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  17.48 +/- 2.01   0.000% *  0.4639% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HB2   LYS+ 112  14.22 +/- 1.19   0.001% *  0.0094% (0.12   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 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.695, support = 4.24, residual support = 87.3:
    * O T QG2   VAL   42 - HB    VAL   42   2.12 +/- 0.02  99.967% * 99.1635% (0.69  10.0 10.00   4.24  87.33) = 100.000%  kept
          QG2   VAL   75 - HB    VAL   42   8.30 +/- 0.54   0.031% *  0.0801% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HB2   LYS+ 112  14.23 +/- 1.35   0.001% *  0.6998% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HB2   LYS+ 112  16.74 +/- 1.58   0.001% *  0.0565% (0.40   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 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.837, support = 4.34, residual support = 87.3:
    * O T HB    VAL   42 - QG1   VAL   42   2.13 +/- 0.01  99.092% * 96.3200% (0.84  10.0 10.00   4.34  87.33) =  99.999%  kept
          HB3   LEU   73 - QG1   VAL   42   5.40 +/- 0.79   0.622% *  0.0889% (0.77   1.0  1.00   0.02   1.55) =   0.001%
          QB    LEU   98 - QG1   VAL   42   6.68 +/- 0.78   0.149% *  0.0849% (0.74   1.0  1.00   0.02   0.62) =   0.000%
        T HB2   LYS+ 112 - QB    ALA   47  12.77 +/- 1.91   0.005% *  0.6587% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG1   VAL   42   7.90 +/- 0.77   0.046% *  0.0540% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QG1   VAL   42   9.00 +/- 0.90   0.022% *  0.0629% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG1   VAL   42  13.77 +/- 1.16   0.002% *  0.7627% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG1   VAL   42   9.97 +/- 1.04   0.012% *  0.0963% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG1   VAL   42  10.97 +/- 1.94   0.013% *  0.0498% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG1   VAL   42  10.87 +/- 0.75   0.006% *  0.1025% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    ALA   47  15.39 +/- 0.55   0.001% *  0.8318% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47  10.30 +/- 1.42   0.011% *  0.0296% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  10.96 +/- 1.18   0.007% *  0.0467% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  13.92 +/- 1.54   0.002% *  0.1072% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG1   VAL   42  13.09 +/- 0.81   0.002% *  0.0849% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  11.67 +/- 0.66   0.004% *  0.0343% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    ALA   47  13.40 +/- 0.84   0.002% *  0.0768% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QB    ALA   47  15.17 +/- 1.64   0.001% *  0.0543% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    ALA   47  15.72 +/- 1.05   0.001% *  0.0733% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QB    ALA   47  17.22 +/- 1.86   0.000% *  0.0832% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  20.68 +/- 2.45   0.000% *  0.0925% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  21.41 +/- 1.41   0.000% *  0.0885% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  21.65 +/- 1.83   0.000% *  0.0733% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  19.47 +/- 1.34   0.000% *  0.0430% (0.37   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 423 (0.37, 0.37, 21.48 ppm):
    2 diagonal assignments:
    *     QG1   VAL   42 - QG1   VAL   42  (0.93)  kept
          QB    ALA   47 - QB    ALA   47  (0.83)  kept
 
    Peak 424 (0.15, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 87.3:
    * O T QG2   VAL   42 - QG1   VAL   42   2.08 +/- 0.03  99.787% * 98.9960% (0.77  10.0 10.00   4.00  87.33) = 100.000%  kept
          QG2   VAL   75 - QG1   VAL   42   6.12 +/- 0.55   0.183% *  0.0800% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - QB    ALA   47   8.38 +/- 0.77   0.029% *  0.0691% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - QB    ALA   47  12.72 +/- 0.71   0.002% *  0.8549% (0.67   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 425 (4.44, 0.15, 20.83 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 87.3:
    * O T HA    VAL   42 - QG2   VAL   42   2.14 +/- 0.19  99.957% * 99.2010% (0.80  10.0 10.00   4.00  87.33) = 100.000%  kept
          HA    GLN   17 - QG2   VAL   42   9.72 +/- 1.21   0.030% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG2   VAL   42  15.33 +/- 1.00   0.001% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG2   VAL   42  11.75 +/- 0.60   0.006% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   VAL   42  12.44 +/- 0.48   0.003% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   VAL   42  13.49 +/- 2.08   0.003% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG2   VAL   42  16.20 +/- 0.61   0.001% *  0.0372% (0.30   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 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.695, support = 4.24, residual support = 87.3:
    * O T HB    VAL   42 - QG2   VAL   42   2.12 +/- 0.02  99.340% * 98.4381% (0.69  10.0 10.00   4.24  87.33) =  99.999%  kept
          QB    LEU   98 - QG2   VAL   42   5.55 +/- 0.59   0.404% *  0.0867% (0.61   1.0  1.00   0.02   0.62) =   0.000%
          HB3   LEU   73 - QG2   VAL   42   7.21 +/- 1.00   0.122% *  0.0909% (0.64   1.0  1.00   0.02   1.55) =   0.000%
          HG3   LYS+ 106 - QG2   VAL   42   7.95 +/- 0.84   0.048% *  0.0642% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   42   9.67 +/- 2.49   0.056% *  0.0509% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG2   VAL   42  14.23 +/- 1.35   0.001% *  0.7795% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG2   VAL   42  11.11 +/- 1.09   0.006% *  0.0984% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG2   VAL   42  11.07 +/- 0.80   0.005% *  0.1048% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   42  10.17 +/- 0.77   0.010% *  0.0552% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG2   VAL   42  11.52 +/- 0.93   0.004% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   42  14.72 +/- 1.65   0.001% *  0.1095% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  13.26 +/- 0.78   0.002% *  0.0350% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 87.3:
    * O T QG1   VAL   42 - QG2   VAL   42   2.08 +/- 0.03  99.649% * 98.8869% (0.77  10.0 10.00   4.00  87.33) = 100.000%  kept
          QB    ALA   64 - QG2   VAL   42   5.71 +/- 0.81   0.347% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - QG2   VAL   42  12.72 +/- 0.71   0.002% *  1.0224% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QG2   VAL   42  13.51 +/- 1.84   0.002% *  0.0704% (0.55   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 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 = 59.9:
    * O T HB    VAL   43 - HA    VAL   43   2.87 +/- 0.17  99.969% * 99.7401% (0.97  10.0 10.00   3.30  59.93) = 100.000%  kept
          HB2   LYS+  99 - HA    VAL   43  12.81 +/- 0.89   0.015% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    VAL   43  13.46 +/- 0.86   0.011% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    VAL   43  15.12 +/- 0.81   0.005% *  0.1024% (0.99   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 431 (0.76, 4.67, 60.29 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 4.33, residual support = 59.9:
    * O T QG1   VAL   43 - HA    VAL   43   2.75 +/- 0.28  93.314% * 99.5406% (0.90  10.0 10.00   4.33  59.93) =  99.995%  kept
          QD2   LEU   73 - HA    VAL   43   4.88 +/- 0.60   5.376% *  0.0584% (0.53   1.0  1.00   0.02   8.35) =   0.003%
          QG1   VAL   41 - HA    VAL   43   7.09 +/- 0.52   0.422% *  0.1100% (0.99   1.0  1.00   0.02   1.58) =   0.001%
          QG2   VAL   18 - HA    VAL   43   7.50 +/- 1.01   0.438% *  0.0762% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   43   8.01 +/- 0.64   0.194% *  0.0628% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   43   8.63 +/- 0.76   0.116% *  0.0762% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   43   9.15 +/- 0.85   0.095% *  0.0277% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   43  11.77 +/- 1.34   0.022% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    VAL   43  11.56 +/- 0.78   0.023% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 59.9:
    * O T QG2   VAL   43 - HA    VAL   43   2.22 +/- 0.27  99.279% * 98.9143% (0.69  10.0 10.00   3.00  59.93) =  99.993%  kept
        T QD2   LEU   31 - HA    VAL   43   6.32 +/- 0.83   0.610% *  1.0457% (0.73   1.0 10.00   0.02   0.02) =   0.006%
          QG2   VAL   83 - HA    VAL   43   7.35 +/- 0.60   0.111% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.31 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 = 59.9:
    * O T HA    VAL   43 - HB    VAL   43   2.87 +/- 0.17  99.939% * 99.8083% (0.97  10.0 10.00   3.30  59.93) = 100.000%  kept
          HA    LEU   71 - HB    VAL   43  10.58 +/- 0.50   0.045% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB    VAL   43  13.25 +/- 1.03   0.012% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB    VAL   43  15.97 +/- 0.64   0.004% *  0.0895% (0.87   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 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 = 3.69, residual support = 59.9:
    * O T QG1   VAL   43 - HB    VAL   43   2.13 +/- 0.02  99.693% * 97.7514% (0.87  10.0 10.00   3.69  59.93) =  99.999%  kept
        T QG1   VAL   41 - HB    VAL   43   7.21 +/- 0.71   0.094% *  1.0803% (0.96   1.0 10.00   0.02   1.58) =   0.001%
        T QG2   VAL   18 - HB    VAL   43   9.61 +/- 1.03   0.016% *  0.7487% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB    VAL   43   6.83 +/- 0.75   0.119% *  0.0573% (0.51   1.0  1.00   0.02   8.35) =   0.000%
          HG    LEU   31 - HB    VAL   43   8.46 +/- 0.98   0.033% *  0.0749% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   43   8.55 +/- 0.78   0.028% *  0.0617% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   43  10.68 +/- 0.92   0.007% *  0.1682% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   43  11.32 +/- 0.94   0.005% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   43  12.14 +/- 1.57   0.004% *  0.0303% (0.27   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 436 (0.06, 1.77, 34.62 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 2.89, residual support = 59.9:
    * O T QG2   VAL   43 - HB    VAL   43   2.12 +/- 0.01  99.469% * 98.9143% (0.66  10.0 10.00   2.89  59.93) =  99.997%  kept
        T QD2   LEU   31 - HB    VAL   43   6.40 +/- 0.82   0.226% *  1.0457% (0.70   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   83 - HB    VAL   43   5.99 +/- 0.93   0.305% *  0.0400% (0.27   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 437 (4.67, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.33, residual support = 59.9:
    * O T HA    VAL   43 - QG1   VAL   43   2.75 +/- 0.28  99.794% * 99.8083% (0.90  10.0 10.00   4.33  59.93) = 100.000%  kept
          HA    LEU   71 - QG1   VAL   43   8.23 +/- 0.80   0.168% *  0.0222% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - QG1   VAL   43  11.12 +/- 1.07   0.026% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG1   VAL   43  12.73 +/- 0.82   0.012% *  0.0895% (0.80   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 438 (1.77, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.866, support = 3.69, residual support = 59.9:
    * O T HB    VAL   43 - QG1   VAL   43   2.13 +/- 0.02  99.979% * 99.7401% (0.87  10.0 10.00   3.69  59.93) = 100.000%  kept
          HB2   LYS+  99 - QG1   VAL   43   9.52 +/- 1.25   0.016% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   43  12.42 +/- 1.05   0.003% *  0.1024% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   43  13.59 +/- 0.66   0.002% *  0.0544% (0.47   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 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 = 3.81, residual support = 59.9:
    * O T QG2   VAL   43 - QG1   VAL   43   2.07 +/- 0.04  97.332% * 98.9143% (0.62  10.0 10.00   3.81  59.93) =  99.977%  kept
        T QD2   LEU   31 - QG1   VAL   43   4.47 +/- 0.91   2.137% *  1.0457% (0.65   1.0 10.00   0.02   0.02) =   0.023%
          QG2   VAL   83 - QG1   VAL   43   5.15 +/- 0.60   0.531% *  0.0400% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (1.77, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 2.89, residual support = 59.9:
    * O T HB    VAL   43 - QG2   VAL   43   2.12 +/- 0.01  99.744% * 99.3815% (0.66  10.0 10.00   2.89  59.93) =  99.999%  kept
        T HB    VAL   43 - QD2   LEU   31   6.40 +/- 0.82   0.227% *  0.2851% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG2   VAL   43  10.94 +/- 1.01   0.007% *  0.1028% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   43  11.42 +/- 1.05   0.005% *  0.1021% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD2   LEU   31   9.77 +/- 1.16   0.014% *  0.0295% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   43  12.81 +/- 0.94   0.002% *  0.0542% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  14.33 +/- 0.87   0.001% *  0.0293% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  14.46 +/- 0.92   0.001% *  0.0155% (0.10   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 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.54, support = 4.13, residual support = 87.2:
    * O T QG1   VAL   43 - QG2   VAL   43   2.07 +/- 0.04  47.421% * 80.9559% (0.62  10.0 10.00   3.81  59.93) =  84.123%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.12 +/- 0.01  40.692% * 17.7908% (0.14  10.0 10.00   5.82 231.60) =  15.864%  kept
        T QG1   VAL   43 - QD2   LEU   31   4.47 +/- 0.91   1.099% *  0.2323% (0.18   1.0 10.00   0.02   0.02) =   0.006%
          QG1   VAL   41 - QD2   LEU   31   3.23 +/- 0.87   8.689% *  0.0257% (0.20   1.0  1.00   0.02   0.02) =   0.005%
        T HG    LEU   31 - QG2   VAL   43   6.04 +/- 0.85   0.119% *  0.6201% (0.47   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   73 - QG2   VAL   43   4.75 +/- 0.92   0.789% *  0.0475% (0.36   1.0  1.00   0.02   8.35) =   0.001%
          QG1   VAL   41 - QG2   VAL   43   5.77 +/- 0.92   0.203% *  0.0895% (0.68   1.0  1.00   0.02   1.58) =   0.000%
          QD2   LEU   73 - QD2   LEU   31   4.58 +/- 1.08   0.866% *  0.0136% (0.10   1.0  1.00   0.02   3.24) =   0.000%
          QG2   VAL   18 - QG2   VAL   43   7.57 +/- 1.02   0.037% *  0.0620% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QG2   VAL   43   6.88 +/- 0.72   0.043% *  0.0511% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   43   8.58 +/- 0.80   0.011% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.93 +/- 1.40   0.003% *  0.0251% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QD2   LEU   31  10.12 +/- 1.08   0.004% *  0.0178% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QG2   VAL   43   9.72 +/- 0.92   0.005% *  0.0139% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   31   8.76 +/- 1.09   0.011% *  0.0065% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31  10.93 +/- 0.45   0.002% *  0.0147% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31   9.43 +/- 0.93   0.006% *  0.0040% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.91 +/- 1.28   0.000% *  0.0072% (0.05   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 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   2.88 +/- 0.14  99.591% * 97.1917% (1.00  10.0 10.00   2.68  37.77) = 100.000%  kept
          HB3   PHE   72 - HA    ASP-  44   7.90 +/- 0.56   0.268% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASP-  44  15.32 +/- 1.90   0.006% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  44  10.20 +/- 1.86   0.077% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASP-  44  16.77 +/- 1.78   0.003% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  44  12.79 +/- 0.73   0.015% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP-  44  11.56 +/- 1.08   0.035% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASP-  44  23.53 +/- 2.57   0.001% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  16.33 +/- 0.70   0.003% *  0.0270% (0.28   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 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   2.57 +/- 0.31  98.898% * 98.4998% (1.00  10.0 10.00   4.00  37.77) =  99.999%  kept
          HB3   PRO   93 - HA    ASP-  44   6.90 +/- 0.83   0.842% *  0.0753% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T QB    ALA   84 - HA    ASP-  44  10.20 +/- 0.48   0.033% *  0.7887% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASP-  44   9.11 +/- 1.44   0.099% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ASP-  44   9.76 +/- 1.14   0.056% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASP-  44  11.00 +/- 0.92   0.024% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASP-  44  10.39 +/- 1.14   0.029% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASP-  44  15.56 +/- 2.49   0.006% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ASP-  44  14.73 +/- 0.63   0.003% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ASP-  44  18.05 +/- 1.98   0.001% *  0.0951% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  16.21 +/- 0.78   0.002% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  14.59 +/- 1.65   0.005% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  20.62 +/- 0.37   0.000% *  0.0336% (0.34   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 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   2.88 +/- 0.14  99.319% * 98.1053% (1.00  10.0 10.00   2.68  37.77) = 100.000%  kept
          HA    ALA   57 - HB2   ASP-  44   7.59 +/- 1.11   0.621% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ASP-  44  11.76 +/- 0.55   0.023% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ASP-  44  16.84 +/- 1.36   0.003% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  44  13.32 +/- 0.75   0.011% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ASP-  44  23.61 +/- 2.78   0.001% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ASP-  44  14.55 +/- 0.51   0.006% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ASP-  44  16.96 +/- 0.49   0.002% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  15.47 +/- 1.33   0.006% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ASP-  44  15.85 +/- 0.77   0.004% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  16.91 +/- 0.56   0.003% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  21.07 +/- 2.49   0.001% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.61, residual support = 37.8:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  99.948% * 99.2040% (1.00  10.0 10.00   2.61  37.77) = 100.000%  kept
          HB3   PRO   93 - HB2   ASP-  44   7.87 +/- 1.36   0.029% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   ASP-  44   8.15 +/- 1.39   0.017% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  44  11.30 +/- 1.25   0.002% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  11.59 +/- 0.77   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  44  11.39 +/- 0.43   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  17.23 +/- 2.67   0.000% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  14.81 +/- 0.78   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  12.75 +/- 1.09   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  17.92 +/- 2.04   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  16.88 +/- 1.17   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  15.29 +/- 1.66   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  20.59 +/- 0.72   0.000% *  0.0338% (0.34   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 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   2.57 +/- 0.31  99.528% * 99.3093% (1.00  10.0 10.00   4.00  37.77) = 100.000%  kept
          HA    ALA   57 - HB3   ASP-  44   6.93 +/- 1.05   0.424% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   ASP-  44  11.30 +/- 0.79   0.025% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  44  13.48 +/- 0.84   0.006% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   ASP-  44  14.63 +/- 1.11   0.006% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   ASP-  44  16.66 +/- 0.73   0.002% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  14.59 +/- 0.95   0.004% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  16.88 +/- 0.82   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  16.80 +/- 0.63   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  17.91 +/- 1.57   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  22.19 +/- 2.63   0.001% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  24.72 +/- 2.89   0.000% *  0.0991% (1.00   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 452 (2.27, 1.34, 38.87 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.61, residual support = 37.8:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  99.962% * 99.4398% (1.00  10.0 10.00   2.61  37.77) = 100.000%  kept
          HB3   PHE   72 - HB3   ASP-  44   6.91 +/- 0.60   0.031% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP-  44  10.18 +/- 2.04   0.005% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   ASP-  44  13.88 +/- 1.07   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  14.34 +/- 1.78   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  15.44 +/- 1.82   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  12.12 +/- 1.15   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  16.49 +/- 1.17   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  22.51 +/- 2.68   0.000% *  0.0603% (0.61   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 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 = 80.3:
    * O T HB2   PHE   45 - HA    PHE   45   3.08 +/- 0.00  99.817% * 99.8680% (1.00  10.0 10.00   3.31  80.26) = 100.000%  kept
          HB2   CYS   21 - HA    PHE   45   9.68 +/- 1.80   0.174% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    PHE   45  16.22 +/- 1.91   0.009% *  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 = 80.3:
    * O T HB3   PHE   45 - HA    PHE   45   2.56 +/- 0.04  99.926% * 99.6736% (1.00  10.0 10.00   4.00  80.26) = 100.000%  kept
          QE    LYS+ 112 - HA    PHE   45  13.38 +/- 2.52   0.041% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    PHE   45  11.18 +/- 1.08   0.017% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    PHE   45  11.80 +/- 0.94   0.012% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    PHE   45  17.69 +/- 0.86   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    PHE   45  15.14 +/- 0.76   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  18.61 +/- 0.74   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 457 (4.86, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.3:
    * O T HA    PHE   45 - HB2   PHE   45   3.08 +/- 0.00  99.985% * 99.9145% (1.00  10.0 10.00   3.31  80.26) = 100.000%  kept
          HA    VAL   41 - HB2   PHE   45  13.93 +/- 0.60   0.012% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   PHE   45  18.87 +/- 2.10   0.002% *  0.0249% (0.25   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 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 = 80.3:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  99.985% * 99.6736% (1.00  10.0 10.00   3.31  80.26) = 100.000%  kept
          QE    LYS+ 112 - HB2   PHE   45  12.11 +/- 2.42   0.007% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   PHE   45   9.10 +/- 1.10   0.007% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   PHE   45  11.92 +/- 1.15   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  15.10 +/- 1.07   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  19.90 +/- 0.76   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  20.14 +/- 0.97   0.000% *  0.0222% (0.22   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 460 (4.86, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 80.3:
    * O T HA    PHE   45 - HB3   PHE   45   2.56 +/- 0.04  99.997% * 99.9145% (1.00  10.0 10.00   4.00  80.26) = 100.000%  kept
          HA    VAL   41 - HB3   PHE   45  14.60 +/- 0.40   0.003% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   PHE   45  20.34 +/- 2.13   0.000% *  0.0249% (0.25   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 461 (3.05, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.3:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.998% * 99.8680% (1.00  10.0 10.00   3.31  80.26) = 100.000%  kept
          HB2   CYS   21 - HB3   PHE   45  11.84 +/- 1.84   0.002% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   PHE   45  15.02 +/- 2.01   0.001% *  0.0945% (0.95   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 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   2.51 +/- 0.13  99.988% * 98.0423% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          HA    LYS+ 112 - HA    THR   46  12.93 +/- 1.66   0.010% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   13  22.57 +/- 2.60   0.000% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   37  18.27 +/- 4.63   0.001% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   37  25.93 +/- 1.53   0.000% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    THR   46  18.98 +/- 1.03   0.001% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  21.78 +/- 2.77   0.000% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  29.46 +/- 1.76   0.000% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  29.18 +/- 2.39   0.000% *  0.0384% (0.39   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 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   3.03 +/- 0.27  98.603% * 97.3989% (1.00  10.0 10.00   3.00  34.52) =  99.999%  kept
          QD1   ILE   19 - HA    SER   13   7.87 +/- 1.53   0.572% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    THR   46   8.93 +/- 1.28   0.290% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    THR   46   9.62 +/- 1.18   0.162% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   37   8.64 +/- 0.45   0.210% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   13  12.30 +/- 1.26   0.037% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    SER   37  13.08 +/- 1.54   0.021% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    THR   46  13.44 +/- 1.42   0.020% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   13  18.44 +/- 1.89   0.003% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   37  14.17 +/- 0.96   0.012% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   37  21.39 +/- 0.80   0.001% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   37  13.80 +/- 0.94   0.012% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   13  16.14 +/- 2.74   0.016% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    THR   46  15.43 +/- 0.47   0.006% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   37  16.72 +/- 0.86   0.004% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  13.06 +/- 0.47   0.018% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  17.52 +/- 1.75   0.004% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    THR   46  17.99 +/- 0.82   0.003% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  17.63 +/- 0.83   0.003% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   13  22.56 +/- 2.64   0.001% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  19.72 +/- 2.45   0.002% *  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   2.51 +/- 0.13  99.967% * 98.0777% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          HA    PRO   58 - HB    THR   46  10.90 +/- 1.18   0.018% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    THR   46  13.68 +/- 2.07   0.006% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    THR   46  13.12 +/- 0.93   0.006% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB    THR   46  22.57 +/- 2.60   0.000% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   37 - HB    THR   46  25.93 +/- 1.53   0.000% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  17.60 +/- 1.99   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  19.71 +/- 1.02   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (3.44, 3.44, 70.99 ppm):
    1 diagonal assignment:
    *     HB    THR   46 - HB    THR   46  (1.00)  kept
 
    Peak 468 (0.75, 3.44, 70.99 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T QG2   THR   46 - HB    THR   46   2.16 +/- 0.01  99.826% * 99.5878% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          QG2   VAL   18 - HB    THR   46   7.60 +/- 1.74   0.141% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    THR   46   9.55 +/- 1.38   0.025% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    THR   46  12.03 +/- 1.90   0.005% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  15.10 +/- 0.96   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  18.36 +/- 0.77   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  17.13 +/- 1.51   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 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   3.03 +/- 0.27  99.768% * 98.0777% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          HA    PRO   58 - QG2   THR   46   9.98 +/- 1.62   0.120% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG2   THR   46  11.59 +/- 1.39   0.049% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG2   THR   46  11.13 +/- 0.78   0.044% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - QG2   THR   46  18.44 +/- 1.89   0.003% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QG2   THR   46  21.39 +/- 0.80   0.001% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG2   THR   46  14.53 +/- 1.24   0.011% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG2   THR   46  16.53 +/- 0.71   0.004% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (3.44, 0.75, 18.88 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HB    THR   46 - QG2   THR   46   2.16 +/- 0.01  99.995% * 99.8459% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          HA    LYS+ 112 - QG2   THR   46  13.09 +/- 1.78   0.004% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - QG2   THR   46  16.43 +/- 1.57   0.001% *  0.0895% (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 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 +/- 0.02  99.995% * 99.0048% (0.95  10.0 10.00   2.00  10.97) = 100.000%  kept
        T QG1   VAL   42 - HA    ALA   47  13.11 +/- 0.58   0.002% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    ALA   47  15.85 +/- 2.80   0.002% *  0.0551% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HA    ALA   47  14.53 +/- 0.87   0.001% *  0.0323% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (4.56, 0.37, 21.60 ppm):
    12 chemical-shift based assignments, quality = 0.932, support = 2.02, residual support = 10.9:
    * O T HA    ALA   47 - QB    ALA   47   2.14 +/- 0.02  69.575% * 93.1965% (0.95  10.0 10.00   2.00  10.97) =  97.417%  kept
          HA    CYS   50 - QB    ALA   47   2.86 +/- 1.13  29.856% *  5.7576% (0.42   1.0  1.00   2.76   6.75) =   2.583%  kept
          HA    TRP   49 - QB    ALA   47   4.84 +/- 0.19   0.524% *  0.0259% (0.26   1.0  1.00   0.02  16.03) =   0.000%
          HA    VAL  108 - QB    ALA   47  10.27 +/- 2.09   0.020% *  0.0914% (0.93   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   47 - QG1   VAL   42  13.11 +/- 0.58   0.001% *  0.7138% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QG1   VAL   42  10.81 +/- 0.78   0.005% *  0.0700% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    ALA   47  11.45 +/- 2.33   0.007% *  0.0383% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  10.14 +/- 1.32   0.007% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  14.11 +/- 1.54   0.001% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  13.89 +/- 0.98   0.001% *  0.0293% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  14.45 +/- 1.45   0.001% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  17.35 +/- 0.64   0.000% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 1.77, residual support = 9.47:
    * O T QB    SER   48 - HA    SER   48   2.29 +/- 0.10  99.255% * 96.0221% (1.00  10.0 10.00   1.77   9.47) =  99.998%  kept
        T QB    SER   85 - HB2   SER   82   5.58 +/- 0.44   0.611% *  0.2561% (0.27   1.0 10.00   0.02   2.96) =   0.002%
          HA2   GLY   51 - HA    SER   48   8.62 +/- 1.10   0.070% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER   48  15.27 +/- 1.98   0.002% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HB2   SER   82  14.32 +/- 1.24   0.002% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   48  13.17 +/- 1.04   0.004% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    VAL   70  15.29 +/- 2.28   0.002% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    VAL   70  11.25 +/- 2.07   0.018% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  13.53 +/- 4.09   0.008% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70  10.71 +/- 0.75   0.011% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   48  21.83 +/- 1.49   0.000% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  13.65 +/- 3.20   0.004% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA2   GLY   16 - HA    SER   48  23.39 +/- 2.51   0.000% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  15.57 +/- 1.86   0.001% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  11.34 +/- 1.16   0.008% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    VAL   70  23.30 +/- 1.31   0.000% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  25.85 +/- 1.41   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  16.48 +/- 1.70   0.001% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  22.90 +/- 0.86   0.000% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  17.45 +/- 1.01   0.001% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   48  22.22 +/- 1.85   0.000% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  26.20 +/- 1.40   0.000% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  23.59 +/- 1.25   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  28.03 +/- 1.22   0.000% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  26.21 +/- 1.00   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  27.98 +/- 1.66   0.000% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  30.59 +/- 2.53   0.000% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  22.60 +/- 1.41   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  30.90 +/- 2.41   0.000% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  27.91 +/- 1.32   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 478 (3.99, 3.94, 63.31 ppm):
    1 diagonal assignment:
          QB    SER   85 - QB    SER   85  (0.03)  kept
    Reference assignment not found: HA    SER   48 - QB    SER   48
 
    Peak 479 (3.94, 3.94, 63.31 ppm):
    3 diagonal assignments:
    *     QB    SER   48 - QB    SER   48  (1.00)  kept
          QB    SER  117 - QB    SER  117  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.15)  kept
 
    Peak 480 (4.58, 4.58, 54.06 ppm):
    2 diagonal assignments:
    *     HA    TRP   49 - HA    TRP   49  (1.00)  kept
          HA    CYS   50 - HA    CYS   50  (0.89)  kept
 
    Peak 481 (3.69, 4.58, 54.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.88, residual support = 74.3:
    * O T HB2   TRP   49 - HA    TRP   49   2.39 +/- 0.08  99.276% * 50.9151% (1.00  10.0 10.00   3.89  74.74) =  99.336%  kept
        T HB2   TRP   49 - HA    CYS   50   5.57 +/- 0.29   0.704% * 47.9899% (0.94   1.0 10.00   3.33   3.19) =   0.664%  kept
        T HA2   GLY  109 - HA    CYS   50  14.11 +/- 2.89   0.007% *  0.3843% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY  109 - HA    TRP   49  17.92 +/- 2.94   0.001% *  0.4077% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    CYS   50  14.51 +/- 1.89   0.003% *  0.0454% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    TRP   49  16.10 +/- 1.39   0.001% *  0.0482% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  13.04 +/- 1.46   0.005% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    CYS   50  19.23 +/- 2.16   0.000% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  20.58 +/- 2.17   0.000% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  14.95 +/- 1.23   0.002% *  0.0069% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  23.77 +/- 1.28   0.000% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  25.19 +/- 1.20   0.000% *  0.0505% (0.99   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 482 (3.15, 4.58, 54.06 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.89, residual support = 74.7:
    * O T HB3   TRP   49 - HA    TRP   49   2.46 +/- 0.08  99.505% * 98.8838% (0.84  10.0 10.00   3.89  74.74) =  99.995%  kept
        T HB3   TRP   49 - HA    CYS   50   6.03 +/- 0.20   0.488% *  0.9320% (0.79   1.0 10.00   0.02   3.19) =   0.005%
          HB3   PHE   59 - HA    CYS   50  13.33 +/- 2.03   0.006% *  0.0893% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   59 - HA    TRP   49  17.75 +/- 1.27   0.001% *  0.0948% (0.80   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 483 (4.58, 3.69, 29.61 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.89, residual support = 74.7:
    * O T HA    TRP   49 - HB2   TRP   49   2.39 +/- 0.08  99.151% * 97.9260% (1.00  10.0 10.00   3.89  74.74) =  99.993%  kept
        T HA    CYS   50 - HB2   TRP   49   5.57 +/- 0.29   0.703% *  0.9263% (0.95   1.0 10.00   0.02   3.19) =   0.007%
        T HA1   GLY  109 - HB2   TRP   49  17.43 +/- 3.39   0.004% *  0.9451% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HB2   TRP   49   7.34 +/- 0.46   0.140% *  0.0272% (0.28   1.0  1.00   0.02  16.03) =   0.000%
          HA    VAL  108 - HB2   TRP   49  17.21 +/- 2.73   0.002% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB2   TRP   49  21.31 +/- 2.50   0.000% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  29.77 +/- 1.78   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 74.7:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00 100.000% * 99.9042% (0.84  10.0 10.00   3.00  74.74) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  17.89 +/- 1.32   0.000% *  0.0958% (0.80   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 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 3.89, residual support = 74.7:
    * O T HA    TRP   49 - HB3   TRP   49   2.46 +/- 0.08  99.115% * 98.7661% (0.84  10.0 10.00   3.89  74.74) =  99.995%  kept
        T HA    CYS   50 - HB3   TRP   49   6.03 +/- 0.20   0.486% *  0.9343% (0.79   1.0 10.00   0.02   3.19) =   0.005%
          HA    ALA   47 - HB3   TRP   49   6.45 +/- 0.58   0.392% *  0.0275% (0.23   1.0  1.00   0.02  16.03) =   0.000%
          HA1   GLY  109 - HB3   TRP   49  17.71 +/- 3.36   0.004% *  0.0953% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB3   TRP   49  20.57 +/- 2.75   0.001% *  0.0934% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  17.21 +/- 2.72   0.002% *  0.0195% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  29.09 +/- 1.93   0.000% *  0.0639% (0.54   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 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.0, residual support = 74.7:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.999% * 99.6151% (0.84  10.0 10.00   3.00  74.74) = 100.000%  kept
          HA    ALA   84 - HB3   TRP   49  15.33 +/- 1.64   0.000% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB3   TRP   49  17.20 +/- 3.17   0.000% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  15.37 +/- 1.61   0.000% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  24.27 +/- 1.13   0.000% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  25.33 +/- 1.03   0.000% *  0.0987% (0.83   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 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 = 1.62, residual support = 7.2:
    * O T QB    CYS   50 - HA    CYS   50   2.27 +/- 0.12  98.350% * 51.3514% (1.00  10.0 10.00   1.60   7.26) =  98.601%  kept
        T QB    CYS   50 - HA    TRP   49   4.73 +/- 0.35   1.481% * 48.4012% (0.94   1.0 10.00   3.17   3.19) =   1.399%  kept
          QE    LYS+  74 - HA    CYS   50   9.19 +/- 1.46   0.038% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    TRP   49   9.52 +/- 2.81   0.105% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    TRP   49  11.86 +/- 1.35   0.007% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    CYS   50  10.63 +/- 2.06   0.019% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  18.28 +/- 1.51   0.000% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  21.65 +/- 1.00   0.000% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYS   50  27.94 +/- 1.96   0.000% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  31.77 +/- 0.88   0.000% *  0.0388% (0.75   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 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 1.6, residual support = 7.26:
    * O T HA    CYS   50 - QB    CYS   50   2.27 +/- 0.12  97.705% * 98.7658% (1.00  10.0 10.00   1.60   7.26) =  99.985%  kept
        T HA    TRP   49 - QB    CYS   50   4.73 +/- 0.35   1.473% *  0.9343% (0.95   1.0 10.00   0.02   3.19) =   0.014%
          HA    ALA   47 - QB    CYS   50   5.24 +/- 0.66   0.813% *  0.0443% (0.45   1.0  1.00   0.02   6.75) =   0.000%
          HA1   GLY  109 - QB    CYS   50  14.05 +/- 2.11   0.003% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    CYS   50  13.10 +/- 2.04   0.005% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    CYS   50  15.49 +/- 1.30   0.001% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  23.61 +/- 1.82   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 7.07, residual support = 223.5:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  98.626% * 99.8323% (1.00  10.0 10.00   7.07 223.51) = 100.000%  kept
          HA    ALA   91 - HD2   PRO   52   9.44 +/- 1.86   1.178% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HD2   PRO   52  12.56 +/- 1.64   0.136% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HD2   PRO   52  15.27 +/- 1.61   0.054% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HD2   PRO   52  21.04 +/- 1.18   0.005% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.15 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.54, residual support = 223.5:
    * O T HB2   PRO   52 - HD2   PRO   52   3.92 +/- 0.09  99.969% * 99.5699% (1.00  10.0 10.00   6.54 223.51) = 100.000%  kept
        T HG2   MET   96 - HD2   PRO   52  17.75 +/- 1.76   0.015% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HD2   PRO   52  16.97 +/- 0.72   0.016% *  0.0564% (0.57   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 495 (1.84, 3.98, 51.93 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.64, residual support = 223.5:
    * O T HB3   PRO   52 - HD2   PRO   52   3.97 +/- 0.09  74.593% * 98.1836% (1.00  10.0 10.00   6.64 223.51) =  99.989%  kept
          HG2   PRO   93 - HD2   PRO   52   5.87 +/- 2.13  22.299% *  0.0303% (0.31   1.0  1.00   0.02   0.52) =   0.009%
          HG2   ARG+  54 - HD2   PRO   52   6.87 +/- 0.49   2.922% *  0.0368% (0.38   1.0  1.00   0.02   1.76) =   0.001%
        T QB    LYS+  81 - HD2   PRO   52  15.46 +/- 1.60   0.027% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   52  13.10 +/- 2.36   0.135% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   PRO   52  23.32 +/- 2.21   0.002% *  0.9818% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   PRO   52  25.18 +/- 1.32   0.001% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   52  21.67 +/- 1.56   0.004% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   PRO   52  19.74 +/- 0.65   0.005% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   52  22.46 +/- 1.07   0.002% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   52  20.73 +/- 1.39   0.004% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  22.85 +/- 1.66   0.003% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   PRO   52  26.16 +/- 2.91   0.001% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  24.45 +/- 1.41   0.002% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.07 A, kept.
 
    Peak 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.47, residual support = 223.5:
    * O T HG2   PRO   52 - HD2   PRO   52   2.41 +/- 0.23  99.482% * 99.6094% (1.00  10.0 10.00   6.47 223.51) = 100.000%  kept
          HG2   MET   92 - HD2   PRO   52   7.08 +/- 1.88   0.507% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HD2   PRO   52  13.54 +/- 1.67   0.006% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD2   PRO   52  15.38 +/- 1.95   0.003% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  14.18 +/- 0.74   0.003% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  25.37 +/- 2.24   0.000% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  33.47 +/- 1.64   0.000% *  0.0644% (0.65   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 497 (2.08, 3.98, 51.93 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.47, residual support = 223.5:
    * O T HG3   PRO   52 - HD2   PRO   52   2.75 +/- 0.23  99.008% * 98.5427% (1.00  10.0 10.00   6.47 223.51) = 100.000%  kept
          HB2   PRO   93 - HD2   PRO   52   6.89 +/- 1.88   0.978% *  0.0304% (0.31   1.0  1.00   0.02   0.52) =   0.000%
        T HG2   PRO   58 - HD2   PRO   52  12.60 +/- 0.68   0.013% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    GLN   32 - HD2   PRO   52  26.33 +/- 1.20   0.000% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  26.12 +/- 2.60   0.000% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  19.85 +/- 1.77   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  26.95 +/- 2.31   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  34.25 +/- 4.16   0.000% *  0.0966% (0.98   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 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 = 5.16, residual support = 223.5:
    * O T HB2   PRO   52 - HA    PRO   52   2.58 +/- 0.21  99.996% * 99.5699% (1.00  10.0 10.00   5.16 223.51) = 100.000%  kept
        T HG2   MET   96 - HA    PRO   52  18.62 +/- 1.59   0.001% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HA    PRO   52  15.46 +/- 0.88   0.002% *  0.0564% (0.57   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 501 (1.84, 4.51, 65.44 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 223.5:
    * O T HB3   PRO   52 - HA    PRO   52   2.45 +/- 0.21  97.975% * 99.2796% (1.00  10.0 10.00   6.14 223.51) =  99.999%  kept
          HG2   ARG+  54 - HA    PRO   52   6.24 +/- 0.91   1.056% *  0.0373% (0.38   1.0  1.00   0.02   1.76) =   0.000%
          HG2   PRO   93 - HA    PRO   52   6.18 +/- 1.63   0.964% *  0.0306% (0.31   1.0  1.00   0.02   0.52) =   0.000%
        T QB    LYS+  81 - HA    PRO   52  18.47 +/- 1.69   0.001% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   52  15.59 +/- 2.37   0.003% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   52  21.36 +/- 2.75   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   52  18.65 +/- 0.79   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  22.47 +/- 1.22   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  20.09 +/- 1.22   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  23.37 +/- 1.02   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  23.39 +/- 1.38   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  25.39 +/- 2.99   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  26.44 +/- 1.31   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  24.92 +/- 1.22   0.000% *  0.0153% (0.15   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 502 (2.32, 4.51, 65.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.5:
    * O T HG2   PRO   52 - HA    PRO   52   3.95 +/- 0.04  96.284% * 99.6094% (1.00  10.0 10.00   5.98 223.51) =  99.998%  kept
          HG2   MET   92 - HA    PRO   52   8.39 +/- 1.84   3.379% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HA    PRO   52  11.69 +/- 1.50   0.211% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PRO   52  12.38 +/- 0.86   0.114% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    PRO   52  18.63 +/- 1.74   0.010% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   52  28.39 +/- 2.03   0.001% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  34.74 +/- 1.63   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.37 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 223.5:
    * O T HG3   PRO   52 - HA    PRO   52   3.90 +/- 0.04  96.440% * 98.7160% (1.00  10.0 10.00   5.97 223.51) =  99.996%  kept
        T HG2   PRO   58 - HA    PRO   52  10.42 +/- 0.87   0.301% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HB2   PRO   93 - HA    PRO   52   7.90 +/- 1.71   3.253% *  0.0305% (0.31   1.0  1.00   0.02   0.52) =   0.001%
          HB2   GLU-  14 - HA    PRO   52  27.10 +/- 2.30   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   52  26.34 +/- 2.53   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  22.70 +/- 1.84   0.003% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  35.23 +/- 3.85   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  28.02 +/- 1.18   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.78 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.07, residual support = 223.5:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  99.628% * 99.4673% (1.00  10.0 10.00   7.07 223.51) = 100.000%  kept
          HA    SER   48 - HA    PRO   52  11.11 +/- 1.28   0.329% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    PRO   52  19.40 +/- 1.84   0.009% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    PRO   52  19.80 +/- 1.58   0.007% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    PRO   52  21.23 +/- 0.86   0.004% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    PRO   52  18.97 +/- 0.89   0.009% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    PRO   52  20.26 +/- 2.08   0.008% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    PRO   52  24.00 +/- 1.63   0.002% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HA    PRO   52  23.65 +/- 1.49   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  31.47 +/- 1.23   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  29.70 +/- 1.35   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  31.64 +/- 1.39   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 0.76 A, kept.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.16, residual support = 223.5:
    * O T HA    PRO   52 - HB2   PRO   52   2.58 +/- 0.21  99.724% * 99.4915% (1.00  10.0 10.00   5.16 223.51) = 100.000%  kept
          HA    LYS+ 111 - HB2   PRO   52   9.32 +/- 1.64   0.091% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB2   PRO   52   9.98 +/- 2.14   0.067% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  12.84 +/- 1.94   0.024% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   MET   96   9.49 +/- 1.31   0.070% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - HG2   MET   96  18.62 +/- 1.59   0.001% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  12.01 +/- 1.22   0.014% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  13.49 +/- 1.09   0.006% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  16.70 +/- 1.39   0.002% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  22.11 +/- 1.93   0.000% *  0.0523% (0.53   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 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 = 6.2, residual support = 223.5:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  94.521% * 98.7825% (1.00  10.0 10.00   6.21 223.51) =  99.998%  kept
          HG2   PRO   93 - HB2   PRO   52   4.85 +/- 2.24   4.219% *  0.0305% (0.31   1.0  1.00   0.02   0.52) =   0.001%
          HG12  ILE  103 - HG2   MET   96   4.31 +/- 0.97   1.070% *  0.0260% (0.26   1.0  1.00   0.02   7.90) =   0.000%
          HB    ILE  103 - HG2   MET   96   5.89 +/- 0.93   0.115% *  0.0119% (0.12   1.0  1.00   0.02   7.90) =   0.000%
          HB    VAL   41 - HG2   MET   96   7.30 +/- 1.11   0.035% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   52   8.13 +/- 0.73   0.012% *  0.0371% (0.38   1.0  1.00   0.02   1.76) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   8.39 +/- 1.36   0.019% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  17.35 +/- 1.52   0.000% *  0.2902% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   8.90 +/- 0.83   0.007% *  0.0045% (0.05   1.0  1.00   0.02   0.17) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  17.21 +/- 2.23   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  13.80 +/- 2.69   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  14.96 +/- 1.26   0.000% *  0.0448% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  13.68 +/- 0.98   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  21.48 +/- 2.76   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  18.82 +/- 1.29   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  20.77 +/- 1.93   0.000% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  18.83 +/- 1.84   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  16.42 +/- 1.28   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  18.96 +/- 2.75   0.000% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  14.55 +/- 1.79   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  22.10 +/- 1.92   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  15.03 +/- 1.20   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  21.63 +/- 2.07   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  18.94 +/- 2.55   0.000% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  25.30 +/- 3.39   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  20.39 +/- 1.45   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  23.44 +/- 1.90   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  25.73 +/- 1.87   0.000% *  0.0246% (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 508 (2.32, 2.63, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 223.5:
    * O T HG2   PRO   52 - HB2   PRO   52   2.63 +/- 0.30  96.313% * 99.2053% (1.00  10.0 10.00   6.10 223.51) =  99.998%  kept
          HG2   MET   92 - HB2   PRO   52   6.61 +/- 2.16   3.606% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HB2   PRO   52  10.80 +/- 1.77   0.044% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   MET   96  16.58 +/- 1.95   0.002% *  0.2914% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  12.28 +/- 1.53   0.014% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  14.13 +/- 1.44   0.008% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   PRO   52  17.76 +/- 2.27   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  13.47 +/- 0.67   0.006% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  15.83 +/- 1.28   0.003% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  19.52 +/- 1.07   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  20.74 +/- 1.41   0.001% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  27.39 +/- 2.73   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  19.36 +/- 1.23   0.001% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  33.89 +/- 2.30   0.000% *  0.0642% (0.65   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 509 (2.08, 2.63, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 223.5:
    * O T HG3   PRO   52 - HB2   PRO   52   2.53 +/- 0.25  97.825% * 98.0617% (1.00  10.0 10.00   6.10 223.51) =  99.999%  kept
          HB2   PRO   93 - HB2   PRO   52   6.72 +/- 2.32   2.135% *  0.0303% (0.31   1.0  1.00   0.02   0.52) =   0.001%
        T HG2   PRO   58 - HB2   PRO   52  11.55 +/- 0.73   0.014% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG2   MET   96  17.42 +/- 2.14   0.002% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   MET   96  18.98 +/- 1.39   0.001% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  12.30 +/- 1.00   0.011% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  13.33 +/- 1.64   0.009% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  15.35 +/- 1.30   0.003% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  27.34 +/- 2.58   0.000% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  23.30 +/- 2.32   0.000% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  21.40 +/- 2.62   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  19.61 +/- 1.45   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  26.29 +/- 2.97   0.000% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  29.86 +/- 3.48   0.000% *  0.0282% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  35.46 +/- 3.91   0.000% *  0.0961% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  27.05 +/- 1.85   0.000% *  0.0194% (0.20   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 510 (3.98, 2.63, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.54, residual support = 223.5:
    * O T HD2   PRO   52 - HB2   PRO   52   3.92 +/- 0.09  99.178% * 99.0230% (1.00  10.0 10.00   6.54 223.51) = 100.000%  kept
          HA    SER   48 - HB2   PRO   52  11.02 +/- 1.48   0.318% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   MET   96  12.13 +/- 1.79   0.166% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG2   MET   96  17.75 +/- 1.76   0.015% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PRO   52  17.42 +/- 2.33   0.016% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   MET   96  12.76 +/- 1.39   0.101% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   MET   96  16.14 +/- 1.51   0.026% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PRO   52  18.19 +/- 2.12   0.012% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  15.15 +/- 1.58   0.038% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  15.03 +/- 0.85   0.034% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  18.88 +/- 1.42   0.009% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PRO   52  21.62 +/- 1.28   0.004% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  18.65 +/- 1.27   0.009% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  16.70 +/- 1.20   0.019% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  20.20 +/- 2.09   0.007% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  22.14 +/- 2.17   0.003% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  19.54 +/- 0.94   0.007% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  17.64 +/- 2.72   0.017% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  24.36 +/- 1.86   0.002% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  21.08 +/- 1.38   0.005% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  17.86 +/- 1.32   0.013% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  30.28 +/- 2.02   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  28.63 +/- 2.13   0.001% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  30.75 +/- 2.08   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (4.51, 1.84, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 223.5:
    * O T HA    PRO   52 - HB3   PRO   52   2.45 +/- 0.21  99.799% * 99.6990% (1.00  10.0 10.00   6.14 223.51) = 100.000%  kept
          HA    LYS+ 111 - HB3   PRO   52   9.31 +/- 1.75   0.087% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   PRO   52  10.05 +/- 1.89   0.061% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  13.12 +/- 1.52   0.008% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  10.03 +/- 1.72   0.039% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - QB    LYS+  81  18.47 +/- 1.69   0.001% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  13.47 +/- 0.99   0.005% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  22.61 +/- 1.38   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  22.54 +/- 2.15   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  20.06 +/- 1.13   0.000% *  0.0023% (0.02   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 512 (2.63, 1.84, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 223.5:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  99.999% * 99.4073% (1.00  10.0 10.00   6.21 223.51) = 100.000%  kept
        T HG2   MET   96 - HB3   PRO   52  17.35 +/- 1.52   0.000% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  17.21 +/- 2.23   0.000% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  14.96 +/- 1.26   0.000% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HB3   PRO   52  16.50 +/- 0.96   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  24.44 +/- 0.95   0.000% *  0.0065% (0.06   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 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 = 6.17, residual support = 223.5:
    * O T HG2   PRO   52 - HB3   PRO   52   2.60 +/- 0.32  94.105% * 99.4355% (1.00  10.0 10.00   6.17 223.51) =  99.996%  kept
          HG2   MET   92 - HB3   PRO   52   6.56 +/- 2.04   5.484% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLU-  79 - QB    LYS+  81   6.85 +/- 0.26   0.345% *  0.0091% (0.09   1.0  1.00   0.02   1.52) =   0.000%
          QG    GLU- 114 - HB3   PRO   52  10.97 +/- 1.72   0.030% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - QB    LYS+  81  15.35 +/- 2.01   0.004% *  0.1141% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  12.00 +/- 0.77   0.014% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   PRO   52  18.09 +/- 2.10   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  13.22 +/- 1.93   0.012% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  13.87 +/- 0.93   0.005% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  27.79 +/- 2.21   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  20.13 +/- 1.92   0.001% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  23.68 +/- 1.13   0.000% *  0.0176% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  34.42 +/- 1.61   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  25.34 +/- 0.96   0.000% *  0.0074% (0.07   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 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 223.5:
    * O T HG3   PRO   52 - HB3   PRO   52   2.61 +/- 0.28  99.146% * 98.1909% (1.00  10.0 10.00   6.16 223.51) =  99.998%  kept
        T HB2   PRO   93 - HB3   PRO   52   7.29 +/- 1.66   0.556% *  0.3031% (0.31   1.0 10.00   0.02   0.52) =   0.002%
        T HG2   PRO   58 - HB3   PRO   52  11.90 +/- 0.98   0.016% *  0.9819% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81   7.70 +/- 0.92   0.270% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - QB    LYS+  81  15.85 +/- 2.23   0.003% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - QB    LYS+  81  23.17 +/- 0.95   0.000% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  14.09 +/- 1.80   0.007% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  27.87 +/- 2.19   0.000% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  21.79 +/- 2.05   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  26.79 +/- 2.64   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  17.34 +/- 0.87   0.002% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  35.96 +/- 3.67   0.000% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  24.55 +/- 1.85   0.000% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  27.50 +/- 1.30   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  30.38 +/- 3.85   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  28.23 +/- 0.99   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.64, residual support = 223.5:
    * O T HD2   PRO   52 - HB3   PRO   52   3.97 +/- 0.09  55.345% * 97.9761% (1.00  10.0 10.00   6.64 223.51) =  99.996%  kept
          HB2   SER   82 - QB    LYS+  81   4.59 +/- 0.50  27.223% *  0.0038% (0.04   1.0  1.00   0.02  19.09) =   0.002%
          QB    SER   85 - QB    LYS+  81   5.10 +/- 0.63  16.416% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - HB3   PRO   52  11.18 +/- 1.48   0.195% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  81   8.52 +/- 0.57   0.611% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  81  15.46 +/- 1.60   0.020% *  0.1124% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  81  11.70 +/- 1.70   0.140% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   PRO   52  17.51 +/- 1.80   0.009% *  0.0904% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QB    LYS+  81  20.13 +/- 0.84   0.003% *  0.1063% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   PRO   52  18.29 +/- 1.68   0.007% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  17.00 +/- 0.83   0.009% *  0.0280% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB3   PRO   52  30.78 +/- 1.37   0.000% *  0.9268% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  19.42 +/- 0.95   0.004% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   PRO   52  22.14 +/- 0.83   0.002% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB3   PRO   52  29.12 +/- 1.48   0.000% *  0.2443% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB3   PRO   52  20.52 +/- 2.07   0.004% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PRO   52  22.38 +/- 1.71   0.002% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  24.87 +/- 1.45   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PRO   52  31.28 +/- 1.50   0.000% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  22.33 +/- 0.91   0.002% *  0.0173% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  19.03 +/- 0.89   0.005% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  25.39 +/- 0.80   0.001% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  25.77 +/- 1.00   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  27.90 +/- 1.60   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.76 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.5:
    * O T HA    PRO   52 - HG2   PRO   52   3.95 +/- 0.04  97.032% * 99.8323% (1.00  10.0 10.00   5.98 223.51) =  99.999%  kept
          HA    ALA   91 - HG2   PRO   52   8.45 +/- 1.85   2.450% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HG2   PRO   52  11.08 +/- 1.90   0.329% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   52  13.71 +/- 1.92   0.183% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   52  21.07 +/- 1.52   0.005% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 518 (2.63, 2.32, 28.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 223.5:
    * O T HB2   PRO   52 - HG2   PRO   52   2.63 +/- 0.30  99.996% * 99.5699% (1.00  10.0 10.00   6.10 223.51) = 100.000%  kept
        T HG2   MET   96 - HG2   PRO   52  16.58 +/- 1.95   0.002% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG2   PRO   52  17.15 +/- 0.89   0.002% *  0.0564% (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 519 (1.84, 2.32, 28.73 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.17, residual support = 223.5:
    * O T HB3   PRO   52 - HG2   PRO   52   2.60 +/- 0.32  82.777% * 99.2796% (1.00  10.0 10.00   6.17 223.51) =  99.994%  kept
          HG2   PRO   93 - HG2   PRO   52   4.89 +/- 2.05  17.112% *  0.0306% (0.31   1.0  1.00   0.02   0.52) =   0.006%
          HG2   ARG+  54 - HG2   PRO   52   8.45 +/- 0.55   0.082% *  0.0373% (0.38   1.0  1.00   0.02   1.76) =   0.000%
        T QB    LYS+  81 - HG2   PRO   52  15.35 +/- 2.01   0.003% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   52  12.10 +/- 2.43   0.022% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  20.45 +/- 1.63   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   52  19.68 +/- 0.84   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  19.44 +/- 1.66   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   52  22.79 +/- 2.28   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  21.77 +/- 1.41   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  21.46 +/- 1.74   0.001% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  26.02 +/- 3.28   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  23.31 +/- 1.57   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  25.19 +/- 1.51   0.000% *  0.0248% (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 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 = 223.5:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  99.850% * 98.7160% (1.00  10.0 10.00   5.99 223.51) = 100.000%  kept
          HB2   PRO   93 - HG2   PRO   52   6.34 +/- 1.83   0.150% *  0.0305% (0.31   1.0  1.00   0.02   0.52) =   0.000%
        T HG2   PRO   58 - HG2   PRO   52  12.93 +/- 0.82   0.001% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  19.81 +/- 2.24   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  26.99 +/- 2.42   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   PRO   52  26.90 +/- 2.64   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  35.09 +/- 3.66   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  26.22 +/- 1.41   0.000% *  0.0195% (0.20   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 522 (3.98, 2.32, 28.73 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.47, residual support = 223.5:
    * O T HD2   PRO   52 - HG2   PRO   52   2.41 +/- 0.23  99.903% * 99.4673% (1.00  10.0 10.00   6.47 223.51) = 100.000%  kept
          HA    SER   48 - HG2   PRO   52   9.09 +/- 1.54   0.093% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   52  16.01 +/- 1.86   0.002% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  16.64 +/- 1.74   0.001% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  18.64 +/- 1.06   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  20.31 +/- 1.81   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  22.14 +/- 0.95   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  24.57 +/- 1.36   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  21.56 +/- 1.77   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  29.48 +/- 1.46   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  27.53 +/- 1.67   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  30.14 +/- 1.62   0.000% *  0.0153% (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 523 (4.51, 2.08, 28.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 223.5:
    * O T HA    PRO   52 - HG3   PRO   52   3.90 +/- 0.04  97.218% * 98.8988% (1.00  10.0 10.00   5.97 223.51) =  99.996%  kept
        T HA    PRO   52 - HG2   PRO   58  10.42 +/- 0.87   0.304% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   91 - HG3   PRO   52   8.88 +/- 1.98   1.471% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   PRO   58  11.54 +/- 3.16   0.451% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG3   PRO   52  11.15 +/- 1.89   0.313% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG3   PRO   52  14.23 +/- 1.87   0.143% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   58  13.95 +/- 2.01   0.082% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  18.40 +/- 1.90   0.011% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  22.05 +/- 1.80   0.004% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   58  22.08 +/- 0.79   0.003% *  0.0421% (0.43   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.30 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 223.5:
    * O T HB2   PRO   52 - HG3   PRO   52   2.53 +/- 0.25  99.142% * 98.4337% (1.00  10.0 10.00   6.10 223.51) =  99.999%  kept
          HB2   ASP-  62 - HG2   PRO   58   6.08 +/- 0.83   0.840% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - HG2   PRO   58  11.55 +/- 0.73   0.014% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG3   PRO   52  17.42 +/- 2.14   0.002% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG2   PRO   58  18.98 +/- 1.39   0.001% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG3   PRO   52  17.87 +/- 0.70   0.001% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (1.84, 2.08, 28.73 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 223.5:
    * O T HB3   PRO   52 - HG3   PRO   52   2.61 +/- 0.28  94.374% * 97.4419% (1.00  10.0 10.00   6.16 223.51) =  99.982%  kept
        T HG2   PRO   93 - HG3   PRO   52   5.74 +/- 2.04   5.305% *  0.3008% (0.31   1.0 10.00   0.02   0.52) =   0.017%
        T HB3   PRO   52 - HG2   PRO   58  11.90 +/- 0.98   0.015% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG2   PRO   58  11.16 +/- 1.56   0.028% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   8.51 +/- 1.20   0.133% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.81 +/- 0.52   0.084% *  0.0366% (0.38   1.0  1.00   0.02   1.76) =   0.000%
          QB    LYS+  66 - HG2   PRO   58  10.91 +/- 0.76   0.020% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   58  13.55 +/- 2.53   0.011% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  15.85 +/- 2.23   0.003% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  12.42 +/- 2.67   0.020% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  17.57 +/- 2.42   0.002% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  17.41 +/- 1.81   0.002% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  21.24 +/- 1.78   0.000% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  20.39 +/- 1.10   0.001% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   PRO   52  23.49 +/- 2.47   0.000% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  23.17 +/- 0.95   0.000% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  21.07 +/- 1.24   0.000% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  22.35 +/- 1.66   0.000% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  22.71 +/- 1.59   0.000% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  20.15 +/- 1.78   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  22.19 +/- 1.94   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  23.36 +/- 1.71   0.000% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  26.86 +/- 3.21   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.13 +/- 1.27   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  22.44 +/- 1.78   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  26.09 +/- 1.75   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  24.00 +/- 1.77   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  23.88 +/- 1.36   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.07 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.982, support = 5.96, residual support = 221.9:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  84.431% * 86.8129% (1.00  10.0 10.00   5.99 223.51) =  97.949%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.40 +/- 0.23  14.144% * 10.8440% (0.12  10.0 10.00   4.27 147.15) =   2.050%  kept
          HG2   MET   92 - HG3   PRO   52   5.90 +/- 2.34   1.420% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   52 - HG2   PRO   58  12.93 +/- 0.82   0.001% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   PRO   58  11.40 +/- 1.81   0.002% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   PRO   52  12.42 +/- 1.86   0.001% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  15.28 +/- 0.68   0.000% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  15.49 +/- 2.17   0.000% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  16.72 +/- 2.51   0.000% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  21.45 +/- 0.99   0.000% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  30.55 +/- 1.70   0.000% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  34.37 +/- 2.06   0.000% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  26.58 +/- 2.78   0.000% *  0.0821% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  29.39 +/- 1.19   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 = 6.47, residual support = 223.5:
    * O T HD2   PRO   52 - HG3   PRO   52   2.75 +/- 0.23  99.833% * 96.1754% (1.00  10.0 10.00   6.47 223.51) = 100.000%  kept
        T HD2   PRO   52 - HG2   PRO   58  12.60 +/- 0.68   0.013% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   PRO   52   9.55 +/- 1.65   0.111% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   58  12.96 +/- 0.48   0.010% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   PRO   52  16.46 +/- 2.09   0.003% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   58  13.22 +/- 1.54   0.011% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   PRO   58  16.67 +/- 1.37   0.003% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  14.12 +/- 0.60   0.007% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  17.10 +/- 1.94   0.002% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  16.52 +/- 1.49   0.003% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG2   PRO   58  29.25 +/- 1.07   0.000% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   PRO   52  30.45 +/- 1.84   0.000% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  19.63 +/- 1.51   0.001% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  28.50 +/- 2.02   0.000% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  21.01 +/- 2.04   0.001% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  28.29 +/- 1.06   0.000% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  23.02 +/- 1.29   0.000% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  24.83 +/- 1.25   0.000% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  28.04 +/- 1.31   0.000% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  24.40 +/- 0.86   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  22.24 +/- 1.86   0.000% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  25.50 +/- 2.05   0.000% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  31.14 +/- 1.93   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  27.44 +/- 1.14   0.000% *  0.0266% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 44.0:
    * O T HB2   CYS   53 - HA    CYS   53   2.94 +/- 0.15  97.966% * 99.5207% (1.00  10.0 10.00   2.96  44.02) =  99.999%  kept
          HD3   PRO   52 - HA    CYS   53   6.27 +/- 0.04   1.072% *  0.0684% (0.69   1.0  1.00   0.02  53.95) =   0.001%
          HD2   PRO   58 - HA    CYS   53   6.55 +/- 0.62   0.958% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   SER   82 - HA    CYS   53  20.80 +/- 1.42   0.001% *  0.1970% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    CYS   53  18.45 +/- 1.63   0.002% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    CYS   53  22.69 +/- 1.49   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  25.85 +/- 1.10   0.000% *  0.0409% (0.41   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 531 (3.34, 4.17, 63.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.27, residual support = 44.0:
    * O T HB3   CYS   53 - HA    CYS   53   2.58 +/- 0.18  92.927% * 99.5685% (1.00  10.0 10.00   3.27  44.02) =  99.993%  kept
          QB    PHE   55 - HA    CYS   53   4.45 +/- 0.42   4.564% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HD3   PRO   93 - HA    CYS   53   5.28 +/- 0.94   2.247% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HA    CYS   53   7.93 +/- 0.38   0.127% *  0.0987% (0.99   1.0  1.00   0.02  31.92) =   0.000%
          HB2   PHE   59 - HA    CYS   53   7.93 +/- 0.60   0.134% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    CYS   53  20.18 +/- 2.09   0.001% *  0.0919% (0.92   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 532 (4.17, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 44.0:
    * O T HA    CYS   53 - HB2   CYS   53   2.94 +/- 0.15  99.984% * 98.9901% (1.00  10.0 10.00   2.96  44.02) = 100.000%  kept
          HA    ILE   19 - HB2   CYS   53  15.19 +/- 2.25   0.009% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HB2   CYS   53  21.97 +/- 1.44   0.001% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HB2   CYS   53  19.64 +/- 1.24   0.001% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  16.27 +/- 1.11   0.004% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  21.25 +/- 1.91   0.001% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.33, residual support = 44.0:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  99.837% * 99.5685% (1.00  10.0 10.00   3.33  44.02) = 100.000%  kept
          HD3   PRO   93 - HB2   CYS   53   6.36 +/- 1.18   0.088% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   CYS   53   6.30 +/- 0.33   0.049% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB2   CYS   53   7.21 +/- 0.44   0.022% *  0.0987% (0.99   1.0  1.00   0.02  31.92) =   0.000%
          HB2   PHE   59 - HB2   CYS   53   9.65 +/- 1.02   0.005% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   CYS   53  20.90 +/- 2.29   0.000% *  0.0919% (0.92   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 535 (4.17, 3.34, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.27, residual support = 44.0:
    * O T HA    CYS   53 - HB3   CYS   53   2.58 +/- 0.18  99.993% * 99.7562% (1.00  10.0 10.00   3.27  44.02) = 100.000%  kept
          HA    ILE   19 - HB3   CYS   53  15.61 +/- 2.12   0.004% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  15.85 +/- 1.32   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  21.61 +/- 1.61   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  21.10 +/- 1.93   0.000% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  18.76 +/- 1.34   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.33, residual support = 44.0:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  99.885% * 99.6975% (1.00  10.0 10.00   3.33  44.02) = 100.000%  kept
          HD3   PRO   52 - HB3   CYS   53   5.72 +/- 0.49   0.093% *  0.0685% (0.69   1.0  1.00   0.02  53.95) =   0.000%
          HD2   PRO   58 - HB3   CYS   53   8.00 +/- 0.93   0.022% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   CYS   53  17.27 +/- 1.79   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  21.98 +/- 1.64   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  19.28 +/- 1.53   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  26.06 +/- 1.22   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (3.34, 3.34, 34.62 ppm):
    1 diagonal assignment:
    *     HB3   CYS   53 - HB3   CYS   53  (1.00)  kept
 
    Peak 538 (4.11, 4.11, 59.18 ppm):
    2 diagonal assignments:
    *     HA    ARG+  54 - HA    ARG+  54  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.19)  kept
 
    Peak 539 (2.05, 4.11, 59.18 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.67, residual support = 166.7:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.77 +/- 0.07  96.240% * 98.6035% (1.00  10.0 10.00   5.67 166.74) =  99.999%  kept
          HB    ILE  119 - HA    LEU  115   5.42 +/- 1.09   3.008% *  0.0263% (0.27   1.0  1.00   0.02   8.44) =   0.001%
          HB2   PRO   93 - HA    ARG+  54   8.45 +/- 1.47   0.212% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LEU  115  10.81 +/- 2.32   0.397% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LEU  115   8.85 +/- 1.02   0.116% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    LEU  115  14.73 +/- 1.14   0.005% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ARG+  54  14.52 +/- 1.28   0.006% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ARG+  54  16.20 +/- 1.74   0.003% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  22.19 +/- 2.49   0.001% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  17.19 +/- 3.30   0.009% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  22.06 +/- 1.40   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  21.55 +/- 1.70   0.001% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  20.39 +/- 1.56   0.001% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  30.34 +/- 4.20   0.000% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  24.35 +/- 2.17   0.000% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  20.65 +/- 1.51   0.001% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  22.42 +/- 2.00   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  22.24 +/- 1.81   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  30.38 +/- 1.39   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  31.46 +/- 3.38   0.000% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.14 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 166.7:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.58 +/- 0.62  98.185% * 96.1276% (1.00  10.0 10.00   5.69 166.74) =  99.998%  kept
        T HB3   PRO   52 - HA    ARG+  54   7.86 +/- 0.30   0.295% *  0.3608% (0.38   1.0 10.00   0.02   1.76) =   0.001%
          HB    ILE   56 - HA    ARG+  54   6.87 +/- 0.30   0.603% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  115   8.12 +/- 0.79   0.250% *  0.0247% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LEU  115   7.54 +/- 1.13   0.379% *  0.0122% (0.13   1.0  1.00   0.02   0.33) =   0.000%
          HB3   ASP- 105 - HA    LEU  115   8.93 +/- 1.88   0.143% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LEU  115  16.24 +/- 3.72   0.011% *  0.2932% (0.30   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LEU  115  12.79 +/- 1.43   0.026% *  0.1110% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LEU  115  14.88 +/- 1.36   0.010% *  0.2958% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    ARG+  54  19.05 +/- 1.20   0.001% *  0.8338% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  10.96 +/- 1.58   0.073% *  0.0111% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    ARG+  54  21.92 +/- 2.46   0.001% *  0.9528% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ARG+  54  15.97 +/- 1.06   0.003% *  0.0803% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ARG+  54  18.22 +/- 2.28   0.002% *  0.0887% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LEU  115  21.96 +/- 1.45   0.001% *  0.2566% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  15.45 +/- 1.44   0.004% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ARG+  54  20.00 +/- 0.82   0.001% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ARG+  54  19.23 +/- 2.26   0.001% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  23.67 +/- 1.39   0.000% *  0.0928% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  19.73 +/- 1.43   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  23.95 +/- 1.09   0.000% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  15.18 +/- 1.86   0.005% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  21.24 +/- 1.35   0.001% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  22.10 +/- 1.37   0.001% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  22.65 +/- 1.29   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  20.68 +/- 1.50   0.001% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  23.05 +/- 2.11   0.000% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  30.45 +/- 1.02   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.14 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.993, support = 5.36, residual support = 156.8:
    *   T HD2   ARG+  54 - HA    ARG+  54   3.92 +/- 0.68  61.383% * 72.2827% (1.00 10.00   5.44 166.74) =  93.407%  kept
          QB    PHE   55 - HA    ARG+  54   5.12 +/- 0.13  13.657% * 12.3371% (0.80  1.00   4.26   3.47) =   3.547%  kept
          HB3   CYS   53 - HA    ARG+  54   5.36 +/- 0.41   9.693% * 14.9014% (0.99  1.00   4.16  31.92) =   3.041%  kept
          HB2   PHE   59 - HA    LEU  115   6.29 +/- 1.49  13.179% *  0.0117% (0.16  1.00   0.02  29.37) =   0.003%
          HD3   PRO   93 - HA    ARG+  54   9.17 +/- 1.12   0.472% *  0.0648% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HA    ARG+  54   8.83 +/- 1.00   0.717% *  0.0380% (0.53  1.00   0.02   0.02) =   0.001%
          QB    PHE   55 - HA    LEU  115   9.40 +/- 1.35   0.583% *  0.0178% (0.25  1.00   0.02   1.52) =   0.000%
          HD3   PRO   93 - HA    LEU  115  12.07 +/- 1.46   0.188% *  0.0199% (0.28  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HA    LEU  115  16.16 +/- 1.17   0.015% *  0.2224% (0.31 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    LEU  115  12.63 +/- 0.92   0.078% *  0.0220% (0.30  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    LEU  115  15.19 +/- 2.32   0.032% *  0.0193% (0.27  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    ARG+  54  20.51 +/- 1.95   0.004% *  0.0627% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 542 (4.11, 2.05, 30.44 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 5.67, residual support = 166.7:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.77 +/- 0.07  99.973% * 98.5625% (1.00  10.0 10.00   5.67 166.74) = 100.000%  kept
        T HA    LEU  115 - HB2   ARG+  54  14.73 +/- 1.14   0.005% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  22.19 +/- 2.49   0.001% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  20.38 +/- 1.60   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  15.95 +/- 2.96   0.007% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  17.32 +/- 1.41   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  24.35 +/- 2.17   0.000% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  26.65 +/- 1.95   0.000% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  19.69 +/- 3.70   0.003% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  19.14 +/- 2.10   0.001% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  24.76 +/- 4.24   0.001% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  19.49 +/- 3.13   0.001% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  28.65 +/- 5.47   0.001% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  30.34 +/- 4.20   0.000% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  26.86 +/- 1.14   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  20.78 +/- 4.15   0.001% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  31.46 +/- 3.38   0.000% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  28.63 +/- 1.16   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  24.00 +/- 3.64   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  30.01 +/- 2.19   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  24.57 +/- 4.02   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  26.11 +/- 1.98   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  34.97 +/- 1.28   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  28.91 +/- 4.87   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  32.93 +/- 4.11   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  28.57 +/- 2.16   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  35.55 +/- 3.51   0.000% *  0.0017% (0.02   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 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 = 4.82, residual support = 166.7:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.42 +/- 0.36  97.146% * 97.3460% (1.00  10.0 10.00   4.82 166.74) =  99.997%  kept
          QB    PHE   55 - HB2   ARG+  54   4.78 +/- 0.25   2.435% *  0.0779% (0.80   1.0  1.00   0.02   3.47) =   0.002%
          HB3   CYS   53 - HB2   ARG+  54   6.66 +/- 0.66   0.352% *  0.0965% (0.99   1.0  1.00   0.02  31.92) =   0.000%
        T HD3   PRO   93 - HB2   ARG+  54   9.82 +/- 1.17   0.037% *  0.8730% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   ARG+  54  10.73 +/- 0.97   0.024% *  0.0512% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   GLU-  14  15.11 +/- 2.16   0.003% *  0.1242% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   ARG+  54  22.81 +/- 1.91   0.000% *  0.8444% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   MET   11  20.30 +/- 3.64   0.001% *  0.0816% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HB2   GLU-  14  24.49 +/- 3.18   0.000% *  0.1432% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  26.00 +/- 2.51   0.000% *  0.1284% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  22.66 +/- 2.41   0.000% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  32.61 +/- 4.55   0.000% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  20.66 +/- 2.14   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  23.23 +/- 1.90   0.000% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  33.87 +/- 3.65   0.000% *  0.0844% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  30.79 +/- 3.85   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  28.26 +/- 3.58   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  30.38 +/- 3.23   0.000% *  0.0075% (0.08   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 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 166.7:
    *   T HA    ARG+  54 - HD2   ARG+  54   3.92 +/- 0.68  99.947% * 99.0328% (1.00 10.00   5.44 166.74) = 100.000%  kept
        T HA    LEU  115 - HD2   ARG+  54  16.16 +/- 1.17   0.031% *  0.6007% (0.61 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   ARG+  54  21.45 +/- 1.39   0.006% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD2   ARG+  54  18.78 +/- 1.33   0.013% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HD2   ARG+  54  27.41 +/- 2.29   0.001% *  0.0971% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HD2   ARG+  54  27.94 +/- 1.27   0.001% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  29.61 +/- 1.57   0.001% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  31.38 +/- 2.65   0.001% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  35.91 +/- 1.61   0.000% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.04 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.82, residual support = 166.7:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.42 +/- 0.36  99.979% * 97.9068% (1.00  10.0 10.00   4.82 166.74) = 100.000%  kept
        T HB2   PRO   93 - HD2   ARG+  54  11.42 +/- 1.45   0.018% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   ARG+  54  17.26 +/- 1.68   0.001% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   ARG+  54  24.74 +/- 1.55   0.000% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD2   ARG+  54  19.07 +/- 2.11   0.001% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD2   ARG+  54  24.49 +/- 3.18   0.000% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  25.34 +/- 1.65   0.000% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD2   ARG+  54  32.61 +/- 4.55   0.000% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   ARG+  54  25.12 +/- 2.10   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  33.88 +/- 1.87   0.000% *  0.0784% (0.80   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 552 (1.86, 3.34, 43.59 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.67, residual support = 166.7:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.83 +/- 0.12  99.809% * 97.2335% (1.00  10.0 10.00   4.67 166.74) = 100.000%  kept
        T HB3   PRO   52 - HD2   ARG+  54   9.13 +/- 0.85   0.114% *  0.3649% (0.38   1.0 10.00   0.02   1.76) =   0.000%
          HB    ILE   56 - HD2   ARG+  54   9.60 +/- 0.72   0.072% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HD2   ARG+  54  20.78 +/- 1.22   0.001% *  0.8434% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD2   ARG+  54  24.84 +/- 2.67   0.000% *  0.9637% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   ARG+  54  20.06 +/- 2.47   0.001% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   ARG+  54  18.88 +/- 1.30   0.001% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  23.33 +/- 1.12   0.000% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  21.70 +/- 2.94   0.001% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  26.57 +/- 1.61   0.000% *  0.0938% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  27.31 +/- 1.20   0.000% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  25.34 +/- 1.62   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  26.06 +/- 1.42   0.000% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  33.91 +/- 1.52   0.000% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.6, residual support = 20.5:
    * O T QB    PHE   55 - HA    PHE   55   2.46 +/- 0.10  99.101% * 99.2105% (1.00  10.0 10.00   3.60  20.51) =  99.999%  kept
          HD2   ARG+  54 - HA    PHE   55   5.82 +/- 0.59   0.672% *  0.0794% (0.80   1.0  1.00   0.02   3.47) =   0.001%
          HB2   PHE   59 - HA    PHE   55   8.04 +/- 0.85   0.096% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   55   8.16 +/- 0.23   0.079% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   55  10.07 +/- 1.26   0.029% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    PHE   55 - HA    VAL   42  16.40 +/- 1.37   0.001% *  0.2335% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  12.67 +/- 1.82   0.009% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  12.30 +/- 1.15   0.008% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  15.51 +/- 0.95   0.002% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  15.84 +/- 0.80   0.002% *  0.0229% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   55  20.95 +/- 1.95   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  21.38 +/- 1.32   0.000% *  0.0187% (0.19   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 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.6, residual support = 20.5:
    * O T HA    PHE   55 - QB    PHE   55   2.46 +/- 0.10  97.924% * 99.2581% (1.00  10.0 10.00   3.60  20.51) =  99.998%  kept
          HA    ALA  110 - QB    PHE   55   7.12 +/- 2.75   2.073% *  0.0861% (0.87   1.0  1.00   0.02   0.18) =   0.002%
        T HA    VAL   42 - QB    PHE   55  16.40 +/- 1.37   0.001% *  0.5620% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    PHE   55  15.47 +/- 1.55   0.002% *  0.0939% (0.95   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 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 = 4.43, residual support = 124.4:
    * O T HB    ILE   56 - HA    ILE   56   2.56 +/- 0.17  99.109% * 98.8500% (1.00  10.0 10.00   4.43 124.38) =  99.997%  kept
        T HB3   PRO   58 - HA    ILE   56   5.97 +/- 0.43   0.679% *  0.4812% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HA    ILE   56   7.71 +/- 0.90   0.185% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    ILE   56  12.49 +/- 1.74   0.013% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ILE   56  13.10 +/- 1.51   0.008% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE   56  15.77 +/- 1.28   0.002% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  19.46 +/- 1.94   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  18.59 +/- 2.68   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  21.07 +/- 1.16   0.000% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  21.85 +/- 1.43   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  21.13 +/- 1.33   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  22.87 +/- 1.35   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  27.61 +/- 1.27   0.000% *  0.0954% (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 560 (1.27, 4.38, 60.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 124.4:
    * O   QG2   ILE   56 - HA    ILE   56   2.91 +/- 0.34  99.956% * 98.4757% (1.00  10.0  1.00   4.72 124.38) = 100.000%  kept
          QB    ALA   91 - HA    ILE   56  12.75 +/- 1.35   0.018% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  13.48 +/- 1.51   0.016% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  18.32 +/- 1.13   0.002% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   56  19.44 +/- 0.99   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HA    ILE   56  29.24 +/- 1.19   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   56  23.76 +/- 1.49   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  17.96 +/- 1.30   0.003% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  19.62 +/- 1.71   0.001% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  20.67 +/- 1.19   0.001% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 124.4:
    * O T QG1   ILE   56 - HA    ILE   56   2.91 +/- 0.46  99.845% * 97.9351% (1.00  10.0 10.00   3.76 124.38) = 100.000%  kept
        T QD    LYS+ 106 - HA    ILE   56  14.73 +/- 1.52   0.008% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    ILE   56  11.11 +/- 1.84   0.138% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - HA    ILE   56  21.88 +/- 1.34   0.001% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HA    ILE   56  20.66 +/- 1.33   0.001% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HA    ILE   56  17.69 +/- 1.64   0.003% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    ILE   56  16.99 +/- 1.14   0.004% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.16 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 124.4:
    * O T HA    ILE   56 - HB    ILE   56   2.56 +/- 0.17  99.744% * 98.4172% (1.00  10.0 10.00   4.43 124.38) =  99.999%  kept
        T HA    PRO   58 - HB    ILE   56   7.78 +/- 0.90   0.157% *  0.2736% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB    ILE   56   9.39 +/- 1.61   0.095% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  123 - HB    ILE   56  16.60 +/- 2.49   0.002% *  0.9647% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB    ILE   56  21.70 +/- 1.47   0.000% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  20.86 +/- 1.56   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  20.68 +/- 1.38   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  27.42 +/- 1.59   0.000% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  26.57 +/- 2.04   0.000% *  0.0245% (0.25   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 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 = 5.58, residual support = 124.4:
    * O T QG2   ILE   56 - HB    ILE   56   2.11 +/- 0.02  99.991% * 98.4757% (1.00  10.0 10.00   5.58 124.38) = 100.000%  kept
          QB    ALA   91 - HB    ILE   56  11.48 +/- 1.58   0.005% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  13.42 +/- 1.49   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  18.40 +/- 1.56   0.000% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  19.16 +/- 1.36   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HB    ILE   56  28.93 +/- 1.70   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  23.24 +/- 1.66   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  19.30 +/- 1.96   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  18.42 +/- 1.38   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  20.66 +/- 1.32   0.000% *  0.0172% (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 566 (1.72, 1.88, 41.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.5, residual support = 124.4:
    * O T QG1   ILE   56 - HB    ILE   56   2.26 +/- 0.09  99.935% * 98.7886% (1.00  10.0 10.00   4.50 124.38) = 100.000%  kept
        T QD    LYS+ 106 - HB    ILE   56  13.48 +/- 1.56   0.003% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    ILE   56   9.44 +/- 2.13   0.060% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HB    ILE   56  20.22 +/- 1.44   0.000% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  16.23 +/- 2.12   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  16.70 +/- 1.40   0.001% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  21.25 +/- 1.52   0.000% *  0.0968% (0.98   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 569 (1.88, 1.27, 17.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 124.4:
    * O T HB    ILE   56 - QG2   ILE   56   2.11 +/- 0.02  99.769% * 98.4311% (1.00  10.0 10.00   5.58 124.38) = 100.000%  kept
          HG2   ARG+  54 - QG2   ILE   56   6.98 +/- 0.63   0.090% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG2   ILE   56   7.22 +/- 0.37   0.066% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG2   ILE   56   8.41 +/- 1.53   0.045% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   ILE   56   9.39 +/- 1.49   0.021% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  12.13 +/- 1.05   0.003% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE   56  14.20 +/- 1.94   0.002% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QG2   ILE   56  22.33 +/- 1.28   0.000% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE   56  15.98 +/- 1.77   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  15.89 +/- 2.50   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  17.25 +/- 1.89   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  15.95 +/- 1.44   0.001% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  18.46 +/- 1.61   0.000% *  0.0557% (0.57   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 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 = 4.72, residual support = 124.4:
    * O T QG1   ILE   56 - QG2   ILE   56   2.17 +/- 0.12  99.801% * 98.7886% (1.00  10.0 10.00   4.72 124.38) = 100.000%  kept
        T QD    LYS+ 106 - QG2   ILE   56  10.76 +/- 1.54   0.010% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG2   ILE   56   7.26 +/- 1.69   0.181% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG2   ILE   56  16.52 +/- 1.24   0.001% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QG2   ILE   56  12.69 +/- 2.09   0.004% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG2   ILE   56  13.17 +/- 1.75   0.003% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG2   ILE   56  17.27 +/- 1.30   0.000% *  0.0968% (0.98   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 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 124.4:
    * O T HA    ILE   56 - QG1   ILE   56   2.91 +/- 0.46  97.893% * 98.1263% (1.00  10.0 10.00   3.76 124.38) =  99.994%  kept
        T HA    ASP- 113 - QG1   ILE   56   7.77 +/- 1.45   0.840% *  0.6348% (0.65   1.0 10.00   0.02   0.02) =   0.006%
          HA    PRO   58 - QG1   ILE   56   6.73 +/- 0.66   1.238% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - QG1   ILE   56  17.89 +/- 1.17   0.003% *  0.9282% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG1   ILE   56  13.71 +/- 1.30   0.018% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG1   ILE   56  17.16 +/- 1.16   0.004% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  17.60 +/- 1.19   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QG1   ILE   56  23.10 +/- 1.32   0.001% *  0.0979% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  22.93 +/- 1.91   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.11 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.5, residual support = 124.4:
    * O T HB    ILE   56 - QG1   ILE   56   2.26 +/- 0.09  99.756% * 98.6066% (1.00  10.0 10.00   4.50 124.38) = 100.000%  kept
        T QB    LYS+ 106 - QG1   ILE   56   9.48 +/- 1.43   0.031% *  0.7536% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG1   ILE   56   7.30 +/- 0.85   0.141% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG1   ILE   56   9.75 +/- 1.67   0.026% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG1   ILE   56   8.72 +/- 0.76   0.034% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG1   ILE   56  11.86 +/- 0.94   0.006% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  15.93 +/- 2.23   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  15.92 +/- 2.68   0.002% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  18.20 +/- 1.68   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  17.78 +/- 1.63   0.001% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  16.44 +/- 1.37   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  19.30 +/- 1.46   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  22.97 +/- 1.26   0.000% *  0.0952% (0.97   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 575 (1.27, 1.72, 31.79 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 124.4:
    * O T QG2   ILE   56 - QG1   ILE   56   2.17 +/- 0.12  99.977% * 98.4757% (1.00  10.0 10.00   4.72 124.38) = 100.000%  kept
          QB    ALA   91 - QG1   ILE   56  10.26 +/- 1.50   0.013% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG1   ILE   56  11.48 +/- 1.37   0.006% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  15.27 +/- 1.18   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QG1   ILE   56  15.99 +/- 1.16   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QG1   ILE   56  24.37 +/- 1.30   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG1   ILE   56  19.22 +/- 1.26   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  16.85 +/- 1.83   0.001% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  15.64 +/- 1.14   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  17.17 +/- 1.12   0.000% *  0.0172% (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 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 = 142.9:
    * O T HA    PRO   58 - HD2   PRO   58   3.80 +/- 0.04  39.723% * 97.5354% (0.95  10.0 10.00   6.70 147.15) =  97.081%  kept
          HA    ILE   56 - HD2   PRO   58   3.50 +/- 0.56  60.101% *  1.9381% (0.26   1.0  1.00   1.43   0.02) =   2.919%  kept
          HA    THR   46 - HD2   PRO   58  10.08 +/- 0.78   0.137% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   58  13.02 +/- 1.03   0.029% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   58  18.47 +/- 1.01   0.003% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HD2   PRO   58  17.22 +/- 1.44   0.005% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   58  22.18 +/- 0.86   0.001% *  0.0941% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   58  24.06 +/- 2.04   0.001% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  23.48 +/- 1.28   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  28.75 +/- 1.04   0.000% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  28.38 +/- 0.81   0.000% *  0.0243% (0.24   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 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 6.92, residual support = 147.2:
    * O T HB2   PRO   58 - HD2   PRO   58   4.02 +/- 0.21  99.440% * 99.3830% (0.95  10.0 10.00   6.92 147.15) = 100.000%  kept
          HB2   GLN  116 - HD2   PRO   58  11.52 +/- 1.38   0.270% *  0.0563% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HD2   PRO   58  10.94 +/- 0.90   0.271% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HD2   PRO   58  17.74 +/- 1.61   0.017% *  0.0722% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HD2   PRO   58  28.10 +/- 1.18   0.001% *  0.4456% (0.42   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   58  27.55 +/- 1.34   0.001% *  0.0276% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.05 A, kept.
 
    Peak 585 (1.89, 3.81, 50.93 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 6.99, residual support = 146.1:
    * O T HB3   PRO   58 - HD2   PRO   58   3.65 +/- 0.23  83.194% * 92.2735% (0.79  10.0 10.00   7.04 147.15) =  99.290%  kept
          HB    ILE   56 - HD2   PRO   58   5.45 +/- 0.64  10.408% *  5.2659% (0.79   1.0  1.00   1.14   0.02) =   0.709%  kept
          HG2   ARG+  54 - HD2   PRO   58   6.11 +/- 1.05   6.316% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HD2   PRO   58  14.11 +/- 1.81   0.047% *  0.1066% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HD2   PRO   58  21.63 +/- 1.12   0.002% *  1.1047% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   PRO   58  15.21 +/- 1.19   0.019% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   PRO   58  28.32 +/- 0.97   0.000% *  1.0450% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   58  17.96 +/- 1.10   0.007% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   58  20.55 +/- 1.85   0.003% *  0.0341% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   PRO   58  21.21 +/- 1.21   0.002% *  0.0415% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  22.61 +/- 1.10   0.002% *  0.0275% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  28.94 +/- 3.52   0.000% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.14 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.61, residual support = 147.2:
    * O T HG2   PRO   58 - HD2   PRO   58   2.88 +/- 0.13  99.858% * 98.7160% (0.95  10.0 10.00   6.61 147.15) = 100.000%  kept
        T HG3   PRO   52 - HD2   PRO   58  11.57 +/- 0.68   0.026% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HD2   PRO   58   9.65 +/- 1.56   0.113% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   58  20.82 +/- 1.92   0.001% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  19.52 +/- 2.01   0.001% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  28.84 +/- 3.29   0.000% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  22.81 +/- 1.28   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  25.37 +/- 0.93   0.000% *  0.0195% (0.19   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 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 = 147.2:
    * O T HB2   PRO   58 - HA    PRO   58   2.67 +/- 0.15  99.975% * 99.2784% (1.00  10.0 10.00   6.26 147.15) = 100.000%  kept
        T HB2   GLN  116 - HA    PRO   58  11.98 +/- 1.60   0.017% *  0.5621% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    PRO   58  16.76 +/- 1.70   0.002% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    PRO   58  13.96 +/- 0.81   0.005% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  26.37 +/- 1.35   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  26.62 +/- 1.20   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 590 (1.89, 4.41, 66.06 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 6.21, residual support = 147.2:
    * O T HB3   PRO   58 - HA    PRO   58   2.37 +/- 0.15  99.840% * 98.4544% (0.84  10.0 10.00   6.21 147.15) =  99.999%  kept
        T HB    ILE   56 - HA    PRO   58   7.78 +/- 0.90   0.111% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    PRO   58   9.09 +/- 1.02   0.044% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    PRO   58  16.51 +/- 1.65   0.001% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    PRO   58  15.50 +/- 1.04   0.001% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    PRO   58  19.79 +/- 1.00   0.000% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  17.30 +/- 1.27   0.001% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  22.05 +/- 1.34   0.000% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  20.39 +/- 1.02   0.000% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  25.88 +/- 1.02   0.000% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  22.45 +/- 1.74   0.000% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  25.72 +/- 3.35   0.000% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.08, 4.41, 66.06 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 147.2:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.00  99.604% * 98.7160% (1.00  10.0 10.00   5.98 147.15) =  99.999%  kept
        T HG3   PRO   52 - HA    PRO   58  14.71 +/- 0.58   0.040% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    PRO   58  11.40 +/- 1.49   0.303% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   58  17.69 +/- 1.80   0.017% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   58  16.30 +/- 1.79   0.028% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   58  25.58 +/- 3.10   0.002% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   58  22.44 +/- 1.37   0.003% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  23.59 +/- 0.87   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.24 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.7, residual support = 147.2:
    * O T HD2   PRO   58 - HA    PRO   58   3.80 +/- 0.04  99.530% * 98.5403% (0.95  10.0 10.00   6.70 147.15) = 100.000%  kept
          HB2   CYS   53 - HA    PRO   58   9.51 +/- 0.76   0.465% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HA    PRO   58  25.27 +/- 1.72   0.001% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HA    PRO   58  25.19 +/- 0.80   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    PRO   58  23.36 +/- 1.48   0.002% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.07 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.26, residual support = 147.2:
    * O T HA    PRO   58 - HB2   PRO   58   2.67 +/- 0.15  98.734% * 99.4356% (1.00  10.0 10.00   6.26 147.15) = 100.000%  kept
          HA    ILE   56 - HB2   PRO   58   5.69 +/- 0.37   1.234% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   PRO   58  11.58 +/- 1.02   0.017% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   PRO   58  13.13 +/- 0.68   0.007% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   PRO   58  14.65 +/- 2.04   0.006% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  17.02 +/- 1.13   0.002% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   PRO   58  21.34 +/- 1.22   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  22.68 +/- 2.14   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  27.44 +/- 1.26   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  22.86 +/- 1.64   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  27.76 +/- 1.06   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.49, residual support = 147.2:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  99.967% * 98.9371% (0.84  10.0 10.00   4.49 147.15) = 100.000%  kept
          HB    ILE   56 - HB2   PRO   58   7.63 +/- 1.09   0.027% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58   9.70 +/- 1.24   0.005% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  17.31 +/- 1.69   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  16.08 +/- 1.56   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   58  23.68 +/- 1.13   0.000% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  21.89 +/- 0.99   0.000% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  17.68 +/- 1.97   0.000% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  27.08 +/- 1.42   0.000% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  22.09 +/- 1.16   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  23.67 +/- 1.65   0.000% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  27.48 +/- 3.38   0.000% *  0.0207% (0.18   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 596 (2.08, 2.35, 31.07 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.27, residual support = 147.2:
    * O T HG2   PRO   58 - HB2   PRO   58   2.40 +/- 0.23  99.988% * 98.7160% (1.00  10.0 10.00   4.27 147.15) = 100.000%  kept
        T HG3   PRO   52 - HB2   PRO   58  15.28 +/- 0.68   0.002% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   PRO   58  12.57 +/- 1.38   0.008% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   58  19.60 +/- 1.84   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  16.97 +/- 2.12   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  27.30 +/- 3.14   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  24.55 +/- 1.16   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  25.38 +/- 0.89   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.92, residual support = 147.2:
    * O T HD2   PRO   58 - HB2   PRO   58   4.02 +/- 0.21  99.710% * 98.5403% (0.95  10.0 10.00   6.92 147.15) = 100.000%  kept
          HB2   CYS   53 - HB2   PRO   58  10.81 +/- 0.76   0.285% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB2   PRO   58  26.56 +/- 1.79   0.001% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB2   PRO   58  26.57 +/- 1.14   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   PRO   58  25.14 +/- 1.21   0.002% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 6.21, residual support = 147.2:
    * O T HA    PRO   58 - HB3   PRO   58   2.37 +/- 0.15  99.475% * 99.1888% (0.84  10.0 10.00   6.21 147.15) =  99.999%  kept
        T HA    ILE   56 - HB3   PRO   58   5.97 +/- 0.43   0.507% *  0.2758% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB3   PRO   58  11.56 +/- 0.96   0.011% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   58  12.92 +/- 0.75   0.004% *  0.0602% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  16.99 +/- 1.07   0.001% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   PRO   58  15.73 +/- 1.39   0.001% *  0.0372% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  22.49 +/- 2.12   0.000% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  22.01 +/- 1.05   0.000% *  0.0957% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  27.92 +/- 1.04   0.000% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  23.57 +/- 1.50   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  28.27 +/- 0.86   0.000% *  0.0247% (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 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.49, residual support = 147.2:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  99.997% * 99.1367% (0.84  10.0 10.00   4.49 147.15) = 100.000%  kept
          HB2   GLN  116 - HB3   PRO   58  11.72 +/- 2.18   0.003% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PHE   97 - HB3   PRO   58  18.36 +/- 1.93   0.000% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   PRO   58  14.46 +/- 0.83   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  28.20 +/- 1.36   0.000% *  0.0444% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  28.73 +/- 1.30   0.000% *  0.0276% (0.23   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 600 (1.89, 1.89, 31.07 ppm):
    1 diagonal assignment:
    *     HB3   PRO   58 - HB3   PRO   58  (0.70)  kept
 
    Peak 601 (2.08, 1.89, 31.07 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.22, residual support = 147.2:
    * O T HG2   PRO   58 - HB3   PRO   58   2.86 +/- 0.23  99.969% * 97.0168% (0.84  10.0 10.00   4.22 147.15) = 100.000%  kept
        T HG3   PRO   52 - HB3   PRO   58  15.09 +/- 0.63   0.005% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HB3   PRO   58  19.38 +/- 1.82   0.001% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   PRO   58  12.61 +/- 1.51   0.021% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   PRO   58  27.13 +/- 3.02   0.000% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  17.61 +/- 1.93   0.003% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  24.51 +/- 1.37   0.000% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  25.57 +/- 0.86   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 0.47 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 7.04, residual support = 147.2:
    * O T HD2   PRO   58 - HB3   PRO   58   3.65 +/- 0.23  99.779% * 98.5403% (0.79  10.0 10.00   7.04 147.15) = 100.000%  kept
          HB2   CYS   53 - HB3   PRO   58  10.40 +/- 0.81   0.218% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB3   PRO   58  27.20 +/- 1.73   0.001% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB3   PRO   58  27.16 +/- 0.93   0.001% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   PRO   58  25.25 +/- 1.37   0.001% *  0.1021% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.06 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.995, support = 5.95, residual support = 146.4:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.00  39.926% * 97.9061% (1.00  10.0 10.00   5.98 147.15) =  99.519%  kept
          HA    ILE   56 - HG2   PRO   58   3.73 +/- 0.38  58.200% *  0.3228% (0.28   1.0  1.00   0.24   0.02) =   0.478%
          HA    THR   46 - HG3   PRO   52   7.90 +/- 1.53   1.626% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HA    PRO   58 - HG3   PRO   52  14.71 +/- 0.58   0.016% *  0.7926% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HG2   PRO   58  12.35 +/- 0.58   0.047% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG3   PRO   52  10.59 +/- 0.67   0.125% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG2   PRO   58  13.34 +/- 0.90   0.032% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   PRO   58  15.40 +/- 1.99   0.015% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   PRO   58  18.80 +/- 1.04   0.004% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   PRO   58  22.02 +/- 1.23   0.001% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   PRO   58  24.53 +/- 2.07   0.001% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  21.29 +/- 1.92   0.002% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   52  25.91 +/- 1.65   0.001% *  0.0765% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  25.97 +/- 1.80   0.001% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   PRO   52  25.20 +/- 1.57   0.001% *  0.0297% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  31.24 +/- 2.65   0.000% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  23.35 +/- 1.59   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  28.70 +/- 1.34   0.000% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  28.60 +/- 1.13   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  26.31 +/- 1.57   0.001% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  33.65 +/- 1.79   0.000% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  31.27 +/- 1.67   0.000% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.32 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.627, support = 5.0, residual support = 179.7:
    * O T HB2   PRO   58 - HG2   PRO   58   2.40 +/- 0.23  14.373% * 87.8577% (1.00  10.0 10.00   4.27 147.15) =  57.335%  kept
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  85.621% * 10.9746% (0.12  10.0 10.00   5.99 223.51) =  42.665%  kept
          HB2   GLN  116 - HG2   PRO   58   9.82 +/- 1.74   0.005% *  0.0497% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  15.28 +/- 0.68   0.000% *  0.7113% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  12.93 +/- 0.82   0.001% *  0.1356% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG3   PRO   52  16.59 +/- 2.69   0.000% *  0.0403% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   PRO   58  17.53 +/- 2.17   0.000% *  0.0638% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  20.03 +/- 1.51   0.000% *  0.0516% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  27.97 +/- 1.41   0.000% *  0.0394% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  26.58 +/- 2.78   0.000% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  30.38 +/- 1.93   0.000% *  0.0319% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  29.39 +/- 1.19   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 = 4.22, residual support = 147.1:
    * O T HB3   PRO   58 - HG2   PRO   58   2.86 +/- 0.23  91.852% * 96.9979% (0.84  10.0 10.00   4.22 147.15) =  99.992%  kept
          HB    ILE   56 - HG2   PRO   58   5.76 +/- 0.97   4.040% *  0.0970% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HB2   MET   92 - HG3   PRO   52   6.60 +/- 1.65   3.567% *  0.0907% (0.78   1.0  1.00   0.02   0.02) =   0.004%
          HB    ILE   56 - HG3   PRO   52   9.38 +/- 1.69   0.145% *  0.0785% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG3   PRO   52  15.09 +/- 0.63   0.005% *  0.7853% (0.68   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   8.51 +/- 1.20   0.194% *  0.0179% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.81 +/- 0.52   0.127% *  0.0145% (0.12   1.0  1.00   0.02   1.76) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  15.85 +/- 2.23   0.005% *  0.3528% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  12.42 +/- 2.67   0.036% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   PRO   58  15.75 +/- 1.79   0.006% *  0.1121% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  14.32 +/- 1.70   0.012% *  0.0387% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   PRO   58  15.38 +/- 1.67   0.006% *  0.0477% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  23.17 +/- 0.95   0.000% *  0.4358% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  17.41 +/- 1.81   0.003% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  22.69 +/- 1.16   0.000% *  0.1161% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  23.92 +/- 1.97   0.000% *  0.0940% (0.81   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  29.32 +/- 3.46   0.000% *  0.2034% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  22.44 +/- 1.78   0.000% *  0.0358% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  20.15 +/- 1.78   0.001% *  0.0165% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  28.03 +/- 1.40   0.000% *  0.1099% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.13 +/- 1.27   0.000% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  35.96 +/- 4.50   0.000% *  0.1646% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  26.09 +/- 1.75   0.000% *  0.0234% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  32.55 +/- 1.64   0.000% *  0.0889% (0.77   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.44 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 = 147.2:
    * O T HD2   PRO   58 - HG2   PRO   58   2.88 +/- 0.13  98.763% * 98.7117% (0.95  10.0 10.00   6.61 147.15) =  99.999%  kept
          HB2   CYS   53 - HG3   PRO   52   6.49 +/- 0.72   1.134% *  0.0288% (0.28   1.0  1.00   0.02  53.95) =   0.000%
        T HD2   PRO   58 - HG3   PRO   52  11.57 +/- 0.68   0.026% *  0.7991% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   PRO   58   9.68 +/- 0.64   0.075% *  0.0356% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   52  19.05 +/- 2.15   0.001% *  0.0828% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  24.75 +/- 1.27   0.000% *  0.1023% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  27.11 +/- 1.71   0.000% *  0.1034% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  29.37 +/- 1.69   0.000% *  0.0837% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  27.48 +/- 1.18   0.000% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  31.22 +/- 1.64   0.000% *  0.0235% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.81 +/- 0.30  99.781% * 99.6348% (1.00  10.0 10.00   3.29  58.46) = 100.000%  kept
          QB    PHE   55 - HA    PHE   59   9.04 +/- 0.64   0.112% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   59  12.06 +/- 2.06   0.057% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   59  11.81 +/- 0.32   0.021% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    PHE   59  12.87 +/- 1.40   0.019% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   59  13.82 +/- 1.29   0.009% *  0.0798% (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 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   2.67 +/- 0.24  99.999% * 99.9552% (1.00  10.0 10.00   3.98  58.46) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  20.11 +/- 0.80   0.001% *  0.0448% (0.45   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 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   2.81 +/- 0.30  99.894% * 99.8386% (1.00  10.0 10.00   3.29  58.46) = 100.000%  kept
          HA    ASP- 113 - HB2   PHE   59   9.27 +/- 1.55   0.103% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   PHE   59  20.55 +/- 1.48   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  19.26 +/- 1.97   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  24.90 +/- 1.75   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  58.46) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  18.22 +/- 0.91   0.000% *  0.0448% (0.45   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 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   2.67 +/- 0.24  99.890% * 99.8386% (1.00  10.0 10.00   3.98  58.46) = 100.000%  kept
          HA    ASP- 113 - HB3   PHE   59   8.95 +/- 1.02   0.108% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   PHE   59  20.91 +/- 1.49   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  19.53 +/- 1.58   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  25.22 +/- 1.35   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.966% * 99.6348% (1.00  10.0 10.00   3.44  58.46) = 100.000%  kept
          QB    PHE   55 - HB3   PHE   59   7.21 +/- 0.81   0.027% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB3   PHE   59  10.11 +/- 0.64   0.003% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HB3   PHE   59  11.68 +/- 1.28   0.001% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  13.90 +/- 2.26   0.001% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  11.84 +/- 1.29   0.001% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 71.5:
    * O T HB2   PHE   60 - HA    PHE   60   2.95 +/- 0.17  99.997% * 99.9010% (1.00  10.0 10.00   4.00  71.47) = 100.000%  kept
          HB2   TRP   87 - HA    PHE   60  17.14 +/- 0.97   0.003% *  0.0990% (0.99   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 619 (2.97, 3.92, 62.21 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.5:
    * O T HB3   PHE   60 - HA    PHE   60   2.55 +/- 0.26  99.971% * 99.7797% (1.00  10.0 10.00   4.00  71.47) = 100.000%  kept
          HB2   PHE   97 - HA    PHE   60  11.48 +/- 1.26   0.019% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    PHE   60  13.34 +/- 1.16   0.006% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   60  15.11 +/- 1.29   0.004% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    PHE   60  21.70 +/- 1.40   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 620 (3.92, 3.40, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.5:
    * O T HA    PHE   60 - HB2   PHE   60   2.95 +/- 0.17  99.893% * 99.8400% (1.00  10.0 10.00   4.00  71.47) = 100.000%  kept
          QB    SER  117 - HB2   PHE   60  12.47 +/- 0.97   0.020% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   PHE   60  10.63 +/- 0.98   0.055% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   60  13.32 +/- 0.92   0.014% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   PHE   60  14.10 +/- 1.49   0.013% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  15.60 +/- 1.30   0.005% *  0.0278% (0.28   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 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 = 71.5:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  99.998% * 99.7797% (1.00  10.0 10.00   4.00  71.47) = 100.000%  kept
          QE    LYS+ 106 - HB2   PHE   60  14.17 +/- 1.50   0.000% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HB2   PHE   60  13.15 +/- 1.70   0.001% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  14.72 +/- 1.14   0.000% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  22.91 +/- 1.38   0.000% *  0.0249% (0.25   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 623 (3.92, 2.97, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.5:
    * O T HA    PHE   60 - HB3   PHE   60   2.55 +/- 0.26  99.947% * 99.8400% (1.00  10.0 10.00   4.00  71.47) = 100.000%  kept
          HB    THR   94 - HB3   PHE   60  10.21 +/- 1.11   0.030% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB3   PHE   60  12.10 +/- 1.39   0.011% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   PHE   60  14.13 +/- 1.18   0.005% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  15.06 +/- 1.82   0.003% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   PHE   60  14.50 +/- 1.76   0.005% *  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 624 (3.40, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.5:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  71.47) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  16.33 +/- 1.29   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.13 +/- 0.01  99.884% * 98.4786% (1.00  10.0 10.00   2.21  18.02) = 100.000%  kept
        T QB    ALA  110 - HA    ALA   61  14.07 +/- 3.29   0.017% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA   61   8.22 +/- 0.94   0.040% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA   61   9.56 +/- 1.03   0.015% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA   61   9.61 +/- 1.06   0.015% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   61   9.74 +/- 1.03   0.014% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA   61  11.33 +/- 1.18   0.006% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  11.41 +/- 1.27   0.006% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   61  17.64 +/- 1.01   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA   61  13.78 +/- 0.93   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  16.59 +/- 1.78   0.001% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  17.57 +/- 0.86   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  23.76 +/- 1.66   0.000% *  0.0518% (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 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   2.13 +/- 0.01  99.604% * 98.9510% (1.00  10.0 10.00   2.21  18.02) = 100.000%  kept
          HD3   PRO   58 - QB    ALA   61   5.78 +/- 0.43   0.283% *  0.0444% (0.45   1.0  1.00   0.02   0.74) =   0.000%
        T HA    ALA   61 - QB    ALA  110  14.07 +/- 3.29   0.017% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QB    ALA  110   9.19 +/- 3.25   0.080% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA   61  10.42 +/- 1.11   0.009% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   61  11.66 +/- 1.02   0.004% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  18.62 +/- 2.45   0.000% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  15.71 +/- 2.58   0.001% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  15.80 +/- 0.92   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  19.36 +/- 2.12   0.000% *  0.0163% (0.16   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 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   2.71 +/- 0.26  99.998% * 99.9434% (1.00  10.0 10.00   3.00  41.03) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  17.63 +/- 0.73   0.002% *  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 632 (2.45, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HA    ASP-  62   2.88 +/- 0.22  99.998% * 99.7306% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HG3   MET   96 - HA    ASP-  62  18.48 +/- 1.01   0.002% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  24.41 +/- 2.18   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    ASP-  62  25.94 +/- 0.78   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  25.65 +/- 1.59   0.000% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.03 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   2.71 +/- 0.26  99.975% * 99.8236% (1.00  10.0 10.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB2   ASP-  62  12.28 +/- 1.47   0.025% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB2   ASP-  62  21.93 +/- 1.20   0.000% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB2   ASP-  62  28.10 +/- 1.00   0.000% *  0.0278% (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 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  17.76 +/- 1.50   0.000% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  25.66 +/- 2.43   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  25.52 +/- 1.29   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  26.70 +/- 1.72   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   2.88 +/- 0.22  99.974% * 99.8236% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB3   ASP-  62  12.09 +/- 1.28   0.025% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB3   ASP-  62  21.66 +/- 0.97   0.001% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   ASP-  62  27.74 +/- 1.02   0.000% *  0.0278% (0.27   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 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  15.69 +/- 0.83   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 = 240.8:
    * O T HB2   LEU   63 - HA    LEU   63   2.91 +/- 0.12  99.848% * 99.1997% (1.00  10.0 10.00   6.28 240.83) = 100.000%  kept
          HB3   ASP-  44 - HA    LEU   63  10.84 +/- 1.63   0.060% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   63  10.89 +/- 1.83   0.058% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   63  14.31 +/- 1.68   0.009% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   63  18.18 +/- 2.90   0.005% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   63  15.91 +/- 1.62   0.005% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  16.80 +/- 1.77   0.004% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  15.72 +/- 2.31   0.007% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LEU   63  20.77 +/- 1.86   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   63  19.78 +/- 1.19   0.001% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   63  21.84 +/- 1.20   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  20.95 +/- 1.55   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  21.33 +/- 1.46   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (0.88, 3.50, 57.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.8:
    * O T HB3   LEU   63 - HA    LEU   63   2.52 +/- 0.21  97.048% * 99.7424% (1.00  10.0 10.00   5.98 240.83) =  99.999%  kept
          QG1   VAL   70 - HA    LEU   63   6.32 +/- 1.17   1.371% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HA    LEU   63   6.41 +/- 1.67   1.286% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU   63   8.49 +/- 1.19   0.172% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    LEU   63  15.38 +/- 2.85   0.106% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU   63  11.38 +/- 1.24   0.017% *  0.0340% (0.34   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 642 (1.06, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.8:
    * O T HG    LEU   63 - HA    LEU   63   2.95 +/- 0.60  99.425% * 99.8120% (1.00  10.0 10.00   5.98 240.83) = 100.000%  kept
          QG1   VAL  107 - HA    LEU   63   9.46 +/- 1.59   0.555% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU   63  14.01 +/- 1.96   0.018% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LEU   63  19.53 +/- 1.48   0.002% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.10 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.689, support = 5.61, residual support = 240.8:
        T QD2   LEU   63 - HA    LEU   63   2.67 +/- 0.32  81.533% * 35.7505% (0.57 10.00   5.60 240.83) =  71.717%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.68 +/- 0.60  18.204% * 63.1462% (1.00 10.00   5.62 240.83) =  28.283%  kept
          QD2   LEU  115 - HA    LEU   63   7.93 +/- 1.30   0.234% *  0.0527% (0.84  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.28 +/- 1.37   0.010% *  0.6315% (1.00 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HA    LEU   63  12.98 +/- 2.04   0.016% *  0.3575% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  17.06 +/- 1.23   0.002% *  0.0506% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   63  18.47 +/- 1.54   0.001% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.07 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.951, support = 5.6, residual support = 240.8:
    *   T QD2   LEU   63 - HA    LEU   63   2.67 +/- 0.32  81.533% * 63.5438% (1.00 10.00   5.60 240.83) =  88.778%  kept
        T QD1   LEU   63 - HA    LEU   63   3.68 +/- 0.60  18.204% * 35.9756% (0.57 10.00   5.62 240.83) =  11.222%  kept
          QD2   LEU  115 - HA    LEU   63   7.93 +/- 1.30   0.234% *  0.0158% (0.25  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.28 +/- 1.37   0.010% *  0.3598% (0.57 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   63  12.75 +/- 1.36   0.010% *  0.0385% (0.61  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    LEU   63  13.94 +/- 1.67   0.007% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  17.79 +/- 1.64   0.001% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  17.06 +/- 1.23   0.002% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.07 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 240.8:
    * O T HA    LEU   63 - HB2   LEU   63   2.91 +/- 0.12  99.998% * 99.2046% (1.00  10.0 10.00   6.28 240.83) = 100.000%  kept
        T HB2   HIS   22 - HB2   LEU   63  20.40 +/- 1.69   0.001% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB2   LEU   63  20.32 +/- 1.52   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 240.8:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  99.768% * 99.7424% (1.00  10.0 10.00   6.31 240.83) = 100.000%  kept
          QG1   VAL   18 - HB2   LEU   63   7.08 +/- 1.35   0.081% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB2   LEU   63   6.73 +/- 0.97   0.055% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   63   7.38 +/- 1.93   0.089% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   63  13.68 +/- 2.07   0.005% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU   63  10.89 +/- 1.33   0.003% *  0.0340% (0.34   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 648 (1.06, 1.34, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.8:
    * O T HG    LEU   63 - HB2   LEU   63   2.62 +/- 0.19  99.475% * 99.8120% (1.00  10.0 10.00   6.31 240.83) = 100.000%  kept
          QG1   VAL  107 - HB2   LEU   63   7.96 +/- 1.38   0.508% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   LEU   63  12.56 +/- 1.81   0.015% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LEU   63  17.80 +/- 1.49   0.001% *  0.0963% (0.97   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 649 (0.58, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.964, support = 6.16, residual support = 240.8:
    * O T QD1   LEU   63 - HB2   LEU   63   2.19 +/- 0.23  85.917% * 63.1462% (1.00  10.0 10.00   6.16 240.83) =  91.627%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.09 +/- 0.21  13.867% * 35.7505% (0.57  10.0 10.00   6.10 240.83) =   8.373%  kept
          QD2   LEU  115 - HB2   LEU   63   6.71 +/- 1.13   0.196% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  11.05 +/- 1.44   0.015% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   63  12.59 +/- 1.88   0.004% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.17 +/- 1.38   0.001% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  16.58 +/- 1.62   0.001% *  0.0111% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.57, 1.34, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.662, support = 6.15, residual support = 240.8:
      O T QD1   LEU   63 - HB2   LEU   63   2.19 +/- 0.23  85.912% * 35.9756% (0.57  10.0 10.00   6.16 240.83) =  77.817%  kept
    * O T QD2   LEU   63 - HB2   LEU   63   3.09 +/- 0.21  13.865% * 63.5438% (1.00  10.0 10.00   6.10 240.83) =  22.183%  kept
        T QD1   LEU   73 - HB2   LEU   63  11.05 +/- 1.44   0.015% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU   63   6.71 +/- 1.13   0.196% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   LEU   63  11.64 +/- 1.21   0.006% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   LEU   63  12.59 +/- 1.55   0.004% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  15.86 +/- 1.78   0.001% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.17 +/- 1.38   0.001% *  0.0141% (0.22   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 651 (3.50, 0.88, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.8:
    * O T HA    LEU   63 - HB3   LEU   63   2.52 +/- 0.21  99.999% * 99.8862% (1.00  10.0 10.00   5.98 240.83) = 100.000%  kept
          HB2   HIS   22 - HB3   LEU   63  20.78 +/- 2.03   0.000% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   LEU   63  19.52 +/- 1.78   0.001% *  0.0375% (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 652 (1.34, 0.88, 41.55 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.8:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  99.979% * 99.1997% (1.00  10.0 10.00   6.31 240.83) = 100.000%  kept
          HB3   ASP-  44 - HB3   LEU   63   9.25 +/- 2.00   0.014% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  11.41 +/- 2.29   0.003% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  17.32 +/- 3.04   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   63  13.04 +/- 1.83   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  13.95 +/- 1.65   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  15.43 +/- 1.53   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  13.91 +/- 1.92   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  19.00 +/- 2.10   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  18.23 +/- 1.38   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  20.01 +/- 1.63   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  19.77 +/- 1.56   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  19.67 +/- 1.42   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 240.8:
    * O T HG    LEU   63 - HB3   LEU   63   2.91 +/- 0.19  98.322% * 99.8120% (1.00  10.0 10.00   6.00 240.83) = 100.000%  kept
          QG1   VAL  107 - HB3   LEU   63   8.34 +/- 1.53   1.663% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU   63  13.71 +/- 1.83   0.012% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   LEU   63  17.97 +/- 1.81   0.002% *  0.0963% (0.97   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 655 (0.58, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.76, support = 5.83, residual support = 240.8:
      O T QD2   LEU   63 - HB3   LEU   63   2.30 +/- 0.30  68.518% * 35.7505% (0.57  10.0 10.00   5.80 240.83) =  55.285%  kept
    * O T QD1   LEU   63 - HB3   LEU   63   2.64 +/- 0.22  31.375% * 63.1462% (1.00  10.0 10.00   5.86 240.83) =  44.715%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.88 +/- 1.84   0.013% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   63   7.46 +/- 1.11   0.088% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   63  11.75 +/- 1.98   0.006% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  15.58 +/- 1.61   0.001% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  16.84 +/- 1.83   0.000% *  0.0111% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.911, support = 5.81, residual support = 240.8:
    * O T QD2   LEU   63 - HB3   LEU   63   2.30 +/- 0.30  68.515% * 63.5438% (1.00  10.0 10.00   5.80 240.83) =  79.413%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.64 +/- 0.22  31.373% * 35.9756% (0.57  10.0 10.00   5.86 240.83) =  20.587%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.88 +/- 1.84   0.013% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   63   7.46 +/- 1.11   0.088% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   63  11.19 +/- 1.51   0.007% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   63  12.27 +/- 1.78   0.004% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  16.39 +/- 2.03   0.001% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  15.58 +/- 1.61   0.001% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 657 (3.50, 1.06, 26.21 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.8:
    * O T HA    LEU   63 - HG    LEU   63   2.95 +/- 0.60  99.995% * 99.8862% (1.00  10.0 10.00   5.98 240.83) = 100.000%  kept
          HB2   HIS   22 - HG    LEU   63  21.45 +/- 2.54   0.003% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HG    LEU   63  20.29 +/- 1.86   0.002% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 658 (1.34, 1.06, 26.21 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.8:
    * O T HB2   LEU   63 - HG    LEU   63   2.62 +/- 0.19  99.783% * 99.1997% (1.00  10.0 10.00   6.31 240.83) = 100.000%  kept
          HB3   ASP-  44 - HG    LEU   63   9.25 +/- 2.41   0.148% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   63  11.79 +/- 2.45   0.031% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   63  12.53 +/- 2.19   0.015% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   63  16.35 +/- 2.92   0.005% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG    LEU   63  14.51 +/- 1.65   0.005% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  16.26 +/- 1.60   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  13.98 +/- 2.19   0.007% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   63  18.24 +/- 1.81   0.001% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG    LEU   63  19.91 +/- 2.67   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   63  20.28 +/- 1.98   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  20.87 +/- 1.92   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  19.60 +/- 1.80   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 659 (0.88, 1.06, 26.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 240.8:
    * O T HB3   LEU   63 - HG    LEU   63   2.91 +/- 0.19  93.390% * 99.7424% (1.00  10.0 10.00   6.00 240.83) =  99.996%  kept
          QG1   VAL   70 - HG    LEU   63   6.47 +/- 1.41   2.941% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HG    LEU   63   8.01 +/- 1.91   1.225% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HG    LEU   63   6.95 +/- 2.13   2.345% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HG    LEU   63  13.82 +/- 2.16   0.047% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU   63  11.24 +/- 1.94   0.052% *  0.0340% (0.34   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 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 = 0.846, support = 5.59, residual support = 240.8:
    * O T QD1   LEU   63 - HG    LEU   63   2.10 +/- 0.02  50.654% * 63.0834% (1.00  10.0 10.00   5.60 240.83) =  64.502%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.239% * 35.7149% (0.57  10.0 10.00   5.58 240.83) =  35.498%  kept
          QD2   LEU  115 - HG    LEU   63   6.87 +/- 1.48   0.101% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  11.58 +/- 1.87   0.003% *  0.6308% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HG    LEU   63  12.22 +/- 1.85   0.002% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   83 - HG    LEU   63  17.17 +/- 2.08   0.000% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  15.90 +/- 1.93   0.000% *  0.0505% (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 662 (0.57, 1.06, 26.21 ppm):
    8 chemical-shift based assignments, quality = 0.84, support = 5.59, residual support = 240.8:
    * O T QD2   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.238% * 63.5438% (1.00  10.0 10.00   5.58 240.83) =  63.194%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.10 +/- 0.02  50.653% * 35.9756% (0.57  10.0 10.00   5.60 240.83) =  36.806%  kept
          QD2   LEU  115 - HG    LEU   63   6.87 +/- 1.48   0.101% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  11.58 +/- 1.87   0.003% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HG    LEU   63  11.89 +/- 1.90   0.002% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  12.82 +/- 1.88   0.002% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  16.63 +/- 2.28   0.000% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  15.90 +/- 1.93   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 = 5.62, residual support = 240.8:
    *   T HA    LEU   63 - QD1   LEU   63   3.68 +/- 0.60  92.692% * 98.5216% (1.00 10.00   5.62 240.83) =  99.997%  kept
          HB2   HIS   22 - QD1   LEU   73   8.78 +/- 1.56   1.803% *  0.0753% (0.76  1.00   0.02   0.02) =   0.001%
        T HA    LEU   63 - QD1   LEU   73  12.28 +/- 1.37   0.090% *  0.9852% (1.00 10.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU  104   7.07 +/- 1.42   4.899% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
        T HA    LEU   63 - QD1   LEU  104  12.98 +/- 2.04   0.107% *  0.2412% (0.24 10.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   73  10.65 +/- 1.56   0.367% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU   63  17.54 +/- 2.10   0.017% *  0.0753% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   63  16.20 +/- 1.80   0.022% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU  104  20.50 +/- 1.70   0.005% *  0.0184% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.10 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 240.8:
    * O T HB2   LEU   63 - QD1   LEU   63   2.19 +/- 0.23  94.543% * 95.2053% (1.00  10.0 10.00   6.16 240.83) =  99.997%  kept
          HB3   ASP-  44 - QD1   LEU   63   6.71 +/- 2.12   0.874% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD1   LEU  104   4.08 +/- 0.44   3.396% *  0.0132% (0.14   1.0  1.00   0.02  16.68) =   0.000%
          HB2   LEU   31 - QD1   LEU   73   5.90 +/- 1.05   0.525% *  0.0854% (0.90   1.0  1.00   0.02   3.24) =   0.000%
        T HB2   LEU   63 - QD1   LEU   73  11.05 +/- 1.44   0.021% *  0.9521% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU   73   9.20 +/- 0.57   0.020% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   73   7.30 +/- 1.02   0.116% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   73   8.01 +/- 0.76   0.069% *  0.0933% (0.98   1.0  1.00   0.02   7.11) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.55 +/- 0.59   0.177% *  0.0187% (0.20   1.0  1.00   0.02   7.72) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   9.33 +/- 1.71   0.037% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   63  12.51 +/- 2.42   0.022% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.24 +/- 1.89   0.016% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU  104  12.59 +/- 1.88   0.004% *  0.2330% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU   63  15.93 +/- 1.74   0.001% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  11.13 +/- 1.70   0.010% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   73  10.68 +/- 1.20   0.010% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  10.83 +/- 0.48   0.007% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  11.61 +/- 4.49   0.022% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.46 +/- 0.36   0.070% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  11.57 +/- 0.63   0.006% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63  10.43 +/- 1.82   0.014% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  13.00 +/- 1.17   0.003% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   63  13.18 +/- 1.49   0.003% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104  10.41 +/- 0.77   0.012% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  14.19 +/- 1.55   0.002% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.14 +/- 3.21   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU   63  16.03 +/- 2.25   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU  104  17.63 +/- 1.11   0.000% *  0.2284% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU  104  12.68 +/- 1.12   0.003% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.14 +/- 1.03   0.005% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  13.52 +/- 1.14   0.002% *  0.0228% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  13.33 +/- 0.90   0.002% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  17.31 +/- 1.56   0.001% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  19.91 +/- 2.39   0.000% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  15.17 +/- 1.64   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  17.35 +/- 2.46   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  15.78 +/- 1.02   0.001% *  0.0160% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  16.56 +/- 0.95   0.001% *  0.0151% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  14.62 +/- 1.56   0.001% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.86, residual support = 240.8:
    * O T HB3   LEU   63 - QD1   LEU   63   2.64 +/- 0.22  59.774% * 98.2083% (1.00  10.0 10.00   5.86 240.83) =  99.975%  kept
          QD1   LEU   71 - QD1   LEU   73   3.44 +/- 1.36  34.235% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.020%
          QG1   VAL   70 - QD1   LEU   63   5.65 +/- 1.15   1.898% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD1   LEU   63   6.09 +/- 1.78   1.970% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   63   6.53 +/- 1.53   0.860% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   73   5.93 +/- 0.68   0.585% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   63 - QD1   LEU   73  10.88 +/- 1.84   0.016% *  0.9821% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104  11.75 +/- 1.98   0.024% *  0.2404% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   7.88 +/- 0.70   0.098% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU  104   7.02 +/- 1.26   0.334% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   63  10.47 +/- 1.56   0.053% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63   9.33 +/- 1.50   0.038% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   9.23 +/- 1.05   0.059% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104  10.70 +/- 3.37   0.035% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   73  13.72 +/- 1.10   0.003% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  13.68 +/- 2.24   0.005% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.62 +/- 1.10   0.007% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  12.41 +/- 0.41   0.006% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 5.6, residual support = 240.8:
    * O T HG    LEU   63 - QD1   LEU   63   2.10 +/- 0.02  96.011% * 96.2195% (1.00  10.0 10.00   5.60 240.83) =  99.992%  kept
        T QG1   VAL  107 - QD1   LEU   63   5.52 +/- 1.27   3.781% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.006%
        T QG2   VAL   24 - QD1   LEU   73   6.90 +/- 1.10   0.148% *  0.9286% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   63 - QD1   LEU   73  11.58 +/- 1.87   0.006% *  0.9622% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63   9.79 +/- 1.79   0.025% *  0.0735% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD1   LEU   63  14.65 +/- 1.89   0.001% *  0.9286% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  12.22 +/- 1.85   0.004% *  0.2355% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU  104   9.20 +/- 1.04   0.018% *  0.0363% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU   73  11.46 +/- 0.93   0.004% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD1   LEU  104  14.37 +/- 1.20   0.001% *  0.2273% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  18.43 +/- 1.74   0.000% *  0.0735% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  18.23 +/- 1.39   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 = 5.6, residual support = 240.8:
    *   T HA    LEU   63 - QD2   LEU   63   2.67 +/- 0.32  99.993% * 99.8862% (1.00 10.00   5.60 240.83) = 100.000%  kept
          HB2   HIS   22 - QD2   LEU   63  18.08 +/- 2.16   0.002% *  0.0763% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD2   LEU   63  15.91 +/- 2.09   0.004% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.11 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 240.8:
    * O T HB2   LEU   63 - QD2   LEU   63   3.09 +/- 0.21  98.270% * 98.3391% (1.00  10.0 10.00   6.10 240.83) =  99.998%  kept
          HB3   ASP-  44 - QD2   LEU   63   8.37 +/- 2.00   0.734% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD2   LEU   63   9.13 +/- 2.35   0.577% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD2   LEU   63  11.35 +/- 1.85   0.073% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   63  14.05 +/- 2.65   0.058% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   63  11.34 +/- 1.91   0.074% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD2   LEU   63  17.17 +/- 1.75   0.005% *  0.9639% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   63  12.31 +/- 1.71   0.041% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   63  11.05 +/- 2.17   0.140% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD2   LEU   63  16.02 +/- 2.41   0.008% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   63  15.52 +/- 1.59   0.008% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   63  16.26 +/- 1.71   0.006% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   63  16.41 +/- 1.69   0.006% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.8, residual support = 240.8:
    * O T HB3   LEU   63 - QD2   LEU   63   2.30 +/- 0.30  84.871% * 99.7424% (1.00  10.0 10.00   5.80 240.83) =  99.991%  kept
          QG1   VAL   70 - QD2   LEU   63   4.46 +/- 1.27   8.441% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.006%
          QD1   LEU  123 - QD2   LEU   63   5.42 +/- 2.21   6.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - QD2   LEU   63   7.20 +/- 1.61   0.538% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU   63  11.65 +/- 2.10   0.098% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU   63   8.83 +/- 1.78   0.052% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.03 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 240.8:
    * O T HG    LEU   63 - QD2   LEU   63   2.11 +/- 0.02  99.341% * 98.8183% (1.00  10.0 10.00   5.58 240.83) =  99.999%  kept
        T QG1   VAL  107 - QD2   LEU   63   6.60 +/- 1.41   0.646% *  0.1525% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD2   LEU   63  11.38 +/- 1.99   0.012% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD2   LEU   63  15.34 +/- 1.99   0.001% *  0.9537% (0.97   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.58 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   2.13 +/- 0.01  99.999% * 99.9825% (1.00  10.0 10.00   2.00  20.76) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  16.29 +/- 0.66   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.959, support = 2.03, residual support = 21.9:
    * O T HA    ALA   64 - QB    ALA   64   2.13 +/- 0.01  84.238% * 72.6945% (1.00  10.0 10.00   2.00  20.76) =  93.439%  kept
        T HB2   PHE   72 - QB    ALA   64   2.98 +/- 0.44  15.761% * 27.2831% (0.38   1.0 10.00   2.48  37.84) =   6.561%  kept
          HB3   ASN   35 - QB    ALA   64  16.63 +/- 0.75   0.000% *  0.0224% (0.31   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 678 (0.40, 0.40, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   64 - QB    ALA   64  (1.00)  kept
 
    Peak 679 (3.96, 3.96, 58.29 ppm):
    2 diagonal assignments:
    *     HA    LYS+  65 - HA    LYS+  65  (0.85)  kept
          HA    LYS+ 121 - HA    LYS+ 121  (0.06)  kept
 
    Peak 680 (1.80, 3.96, 58.29 ppm):
    16 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 164.3:
    * O T QB    LYS+  65 - HA    LYS+  65   2.39 +/- 0.10  97.958% * 99.3780% (0.92  10.0 10.00   6.30 164.30) =  99.999%  kept
          HB3   GLN   17 - HA    LYS+  65   6.16 +/- 1.57   1.132% *  0.0603% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    LYS+  65   5.28 +/- 0.13   0.873% *  0.0563% (0.52   1.0  1.00   0.02  25.13) =   0.001%
          HB2   LEU   71 - HA    LYS+  65  12.58 +/- 0.65   0.005% *  0.0992% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HA    LYS+ 121  14.48 +/- 1.19   0.002% *  0.1121% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121  10.43 +/- 1.34   0.020% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  65  19.36 +/- 1.74   0.000% *  0.0830% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  65  16.87 +/- 0.75   0.001% *  0.0373% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  15.91 +/- 3.64   0.002% *  0.0110% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  21.72 +/- 1.28   0.000% *  0.0974% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  16.92 +/- 3.16   0.001% *  0.0112% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  16.65 +/- 3.62   0.002% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  21.65 +/- 1.27   0.000% *  0.0248% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  16.90 +/- 3.73   0.002% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  19.74 +/- 1.74   0.000% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  21.34 +/- 1.68   0.000% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 682 (1.50, 3.96, 58.29 ppm):
    20 chemical-shift based assignments, quality = 0.884, support = 5.39, residual support = 170.0:
    * O T HG2   LYS+  65 - HA    LYS+  65   2.80 +/- 0.57  44.712% * 53.0514% (0.92  10.0 10.00   5.27 164.30) =  95.007%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.65 +/- 0.22  48.722% *  1.4928% (0.03  10.0 10.00   8.16 314.80) =   2.913%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.93 +/- 0.44   6.095% *  5.9339% (0.10   1.0 10.00   7.49 314.80) =   1.449%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.96 +/- 0.58   0.409% * 38.5232% (0.67   1.0 10.00   5.46  25.13) =   0.631%  kept
        T QD    LYS+  66 - HA    LYS+ 121  11.41 +/- 2.00   0.019% *  0.0435% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.87 +/- 2.60   0.002% *  0.5258% (0.91   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  13.49 +/- 1.59   0.003% *  0.0819% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.97 +/- 1.27   0.004% *  0.0443% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.49 +/- 1.32   0.001% *  0.1323% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  14.56 +/- 0.97   0.002% *  0.0526% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.13 +/- 1.57   0.001% *  0.0599% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.84 +/- 1.27   0.003% *  0.0118% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  12.43 +/- 4.41   0.016% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.71 +/- 3.75   0.010% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  19.37 +/- 1.44   0.000% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  21.50 +/- 2.19   0.000% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  15.00 +/- 1.34   0.002% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  21.89 +/- 1.62   0.000% *  0.0092% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  21.67 +/- 1.94   0.000% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.76 +/- 1.74   0.000% *  0.0050% (0.09   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 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.916, support = 5.29, residual support = 165.5:
    * O T HG3   LYS+  65 - HA    LYS+  65   3.22 +/- 0.59  73.470% * 94.0974% (0.92  10.0 10.00   5.27 164.30) =  99.208%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   4.17 +/- 0.61  26.236% *  2.1015% (0.02   1.0 10.00   6.64 314.80) =   0.791%  kept
          HB    VAL   42 - HA    LYS+  65  11.25 +/- 0.75   0.054% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  13.50 +/- 1.96   0.073% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  17.34 +/- 1.52   0.005% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+ 121  12.95 +/- 2.96   0.033% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  17.43 +/- 2.66   0.010% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  65  20.48 +/- 1.66   0.002% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  13.95 +/- 0.86   0.015% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  17.50 +/- 1.38   0.004% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+ 121  19.04 +/- 4.32   0.004% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  65  25.26 +/- 1.27   0.000% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  13.76 +/- 0.91   0.016% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  13.95 +/- 2.93   0.020% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.90 +/- 0.84   0.005% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  65  18.88 +/- 1.53   0.002% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  65  17.53 +/- 1.44   0.004% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  14.62 +/- 3.61   0.019% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  23.60 +/- 3.51   0.001% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  15.60 +/- 1.07   0.007% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  18.89 +/- 1.27   0.002% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  65  21.52 +/- 0.65   0.001% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  15.95 +/- 3.88   0.011% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.14 +/- 2.44   0.002% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  18.59 +/- 1.46   0.002% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  24.47 +/- 2.42   0.001% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  22.41 +/- 1.81   0.001% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.63 +/- 1.56   0.001% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.828, support = 5.15, residual support = 181.8:
    *   T QD    LYS+  65 - HA    LYS+  65   3.07 +/- 0.55  45.505% * 86.8789% (0.92   1.0 10.00   4.75 164.30) =  88.382%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.93 +/- 0.06  53.120% *  9.7826% (0.10  10.0 10.00   8.24 314.80) =  11.617%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.64 +/- 0.73   1.320% *  0.0334% (0.04   1.0 10.00   0.02   2.26) =   0.001%
        T HB2   LEU  123 - HA    LYS+  65  13.77 +/- 2.51   0.009% *  0.2964% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  15.83 +/- 1.43   0.003% *  0.8669% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  12.96 +/- 1.72   0.012% *  0.0492% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.45 +/- 0.96   0.001% *  0.8020% (0.85   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.38 +/- 0.84   0.016% *  0.0242% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  16.41 +/- 1.34   0.002% *  0.0980% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  18.02 +/- 3.60   0.002% *  0.0905% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  17.41 +/- 3.81   0.002% *  0.0555% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  23.50 +/- 1.41   0.000% *  0.4919% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  24.52 +/- 2.40   0.000% *  0.2166% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  17.18 +/- 1.63   0.002% *  0.0244% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  65  23.36 +/- 2.36   0.000% *  0.1340% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  19.43 +/- 1.78   0.001% *  0.0326% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  16.63 +/- 1.41   0.002% *  0.0151% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  23.34 +/- 1.01   0.000% *  0.0861% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.44 +/- 0.60   0.002% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  21.03 +/- 1.74   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  20.52 +/- 1.85   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  25.43 +/- 2.64   0.000% *  0.0097% (0.10   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 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 164.3:
    *   T QE    LYS+  65 - HA    LYS+  65   4.16 +/- 0.62  99.861% * 97.2340% (0.92 10.00   4.75 164.30) =  99.999%  kept
        T QE    LYS+  33 - HA    LYS+  65  14.90 +/- 1.99   0.074% *  0.8720% (0.83 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HA    LYS+  65  23.11 +/- 1.07   0.004% *  0.9384% (0.89 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+ 121  17.17 +/- 1.31   0.031% *  0.1097% (0.10 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    LYS+  65  22.13 +/- 0.98   0.006% *  0.5898% (0.56 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LYS+ 121  22.05 +/- 3.16   0.007% *  0.0984% (0.09 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  65  25.48 +/- 1.05   0.002% *  0.0898% (0.85  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  65  23.74 +/- 1.09   0.004% *  0.0365% (0.35  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  24.80 +/- 3.09   0.003% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  23.92 +/- 3.78   0.005% *  0.0067% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LYS+ 121  27.95 +/- 3.05   0.002% *  0.0106% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  29.48 +/- 1.86   0.001% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 5.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 686 (3.96, 1.80, 33.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 164.3:
    * O T HA    LYS+  65 - QB    LYS+  65   2.39 +/- 0.10  95.478% * 98.7802% (0.92  10.0 10.00   6.30 164.30) =  99.995%  kept
          HA2   GLY   16 - QB    LYS+  65   5.84 +/- 1.49   4.504% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.005%
        T HA    LYS+ 121 - QB    LYS+  65  14.48 +/- 1.19   0.002% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  65  11.65 +/- 1.42   0.010% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  14.01 +/- 1.05   0.003% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    LYS+  65  17.31 +/- 1.14   0.001% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    LYS+  65  18.91 +/- 1.82   0.001% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    LYS+  65  18.50 +/- 1.21   0.001% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    LYS+  65  18.37 +/- 1.07   0.001% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  24.15 +/- 0.52   0.000% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  21.57 +/- 0.84   0.000% *  0.0212% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  25.79 +/- 0.81   0.000% *  0.0187% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.986, support = 5.55, residual support = 157.2:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.44 +/- 0.14  93.111% * 57.5064% (1.00  10.0 10.00   5.57 164.30) =  94.923%  kept
        T QD    LYS+  66 - QB    LYS+  65   4.58 +/- 0.87   6.858% * 41.7582% (0.73   1.0 10.00   5.32  25.13) =   5.077%  kept
        T HD2   LYS+ 121 - QB    LYS+  65  14.62 +/- 2.54   0.006% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  65  12.18 +/- 1.07   0.007% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  65  14.20 +/- 0.77   0.003% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  65  12.16 +/- 1.26   0.008% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QB    LYS+  65  13.66 +/- 0.98   0.003% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  65  14.43 +/- 1.36   0.003% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  18.08 +/- 1.26   0.001% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  17.97 +/- 2.10   0.001% *  0.0101% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (1.66, 1.80, 33.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.04, residual support = 164.3:
    * O T QD    LYS+  65 - QB    LYS+  65   2.12 +/- 0.13  99.958% * 97.4795% (1.00  10.0 10.00   5.04 164.30) = 100.000%  kept
          QB    ALA   57 - QB    LYS+  65   9.12 +/- 0.94   0.028% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+  65  16.48 +/- 1.73   0.001% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QB    LYS+  65  11.85 +/- 1.35   0.004% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  11.67 +/- 1.89   0.007% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QB    LYS+  65  18.87 +/- 0.82   0.000% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+  65  13.68 +/- 1.49   0.002% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QB    LYS+  65  21.77 +/- 1.18   0.000% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  65  20.57 +/- 2.20   0.000% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  19.50 +/- 2.23   0.000% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  21.44 +/- 0.85   0.000% *  0.0966% (0.99   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 692 (2.93, 1.80, 33.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.04, residual support = 164.3:
    *   T QE    LYS+  65 - QB    LYS+  65   3.33 +/- 0.36  99.977% * 98.8300% (1.00 10.00   5.04 164.30) = 100.000%  kept
        T QE    LYS+  33 - QB    LYS+  65  15.08 +/- 1.80   0.018% *  0.8863% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QB    LYS+  65  22.11 +/- 0.87   0.001% *  0.0954% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+  65  21.57 +/- 0.87   0.002% *  0.0599% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  65  23.32 +/- 0.72   0.001% *  0.0912% (0.92  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  65  21.20 +/- 0.99   0.002% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 5.36 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 = 164.3:
    * O T HA    LYS+  65 - HG2   LYS+  65   2.80 +/- 0.57  95.786% * 97.8884% (0.92  10.0 10.00   5.27 164.30) =  99.995%  kept
          HA2   GLY   16 - HG2   LYS+  65   6.13 +/- 1.50   4.174% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.005%
        T HA    ALA  120 - HG2   LYS+  65  14.16 +/- 1.78   0.020% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG2   LYS+  65  17.13 +/- 1.57   0.009% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - HG2   LYS+  65  16.41 +/- 1.12   0.006% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+  65  19.17 +/- 1.62   0.002% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+  65  20.47 +/- 2.41   0.001% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+  65  20.44 +/- 1.84   0.001% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   LYS+  65  20.27 +/- 1.68   0.001% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+  65  26.49 +/- 1.59   0.000% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  23.45 +/- 1.57   0.000% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  28.46 +/- 1.39   0.000% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 701 (1.80, 1.50, 25.13 ppm):
    8 chemical-shift based assignments, quality = 0.997, support = 5.56, residual support = 163.5:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.44 +/- 0.14  96.879% * 63.6862% (1.00  10.0 10.00   5.57 164.30) =  99.396%  kept
        T QB    LYS+  66 - HG2   LYS+  65   5.96 +/- 0.98   1.037% * 36.0562% (0.57   1.0 10.00   4.46  25.13) =   0.603%  kept
          HB3   GLN   17 - HG2   LYS+  65   6.28 +/- 1.92   2.078% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG2   LYS+  65  13.85 +/- 1.16   0.004% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+  65  18.28 +/- 1.84   0.001% *  0.0532% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   LYS+  65  17.86 +/- 1.26   0.001% *  0.0239% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  22.66 +/- 1.40   0.000% *  0.0624% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  22.27 +/- 1.50   0.000% *  0.0159% (0.25   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 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 = 164.3:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.29 +/- 0.10  99.964% * 96.4735% (1.00  10.0 10.00   4.44 164.30) = 100.000%  kept
        T HD2   LYS+  74 - HG2   LYS+  65  12.36 +/- 2.37   0.009% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HG2   LYS+  65  16.12 +/- 1.69   0.002% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  65  10.01 +/- 1.46   0.021% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  65  21.02 +/- 0.94   0.000% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  14.23 +/- 2.32   0.003% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  65  24.38 +/- 1.57   0.000% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  65  23.57 +/- 2.37   0.000% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  22.37 +/- 2.45   0.000% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  18.31 +/- 1.85   0.000% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  65  23.29 +/- 2.19   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 = 164.3:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.72 +/- 0.29  99.995% * 98.8300% (1.00  10.0 10.00   4.44 164.30) = 100.000%  kept
        T QE    LYS+  33 - HG2   LYS+  65  16.16 +/- 2.08   0.003% *  0.8863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  65  23.80 +/- 1.81   0.000% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  23.59 +/- 1.55   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  25.55 +/- 1.79   0.000% *  0.0912% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  65  22.84 +/- 2.02   0.000% *  0.0371% (0.38   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 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 164.3:
    *   T HA    LYS+  65 - QD    LYS+  65   3.07 +/- 0.55  89.700% * 96.9449% (0.92 10.00   4.75 164.30) =  99.989%  kept
          HA2   GLY   16 - QD    LYS+  65   5.50 +/- 1.57   9.243% *  0.1014% (0.97  1.00   0.02   0.02) =   0.011%
        T HA    LYS+ 121 - QD    LYS+  65  16.41 +/- 1.34   0.010% *  0.5946% (0.57 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  65  13.60 +/- 1.54   0.026% *  0.0993% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+ 111   8.97 +/- 1.21   0.265% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   8.49 +/- 1.04   0.359% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+ 102  17.41 +/- 3.81   0.007% *  0.1503% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+ 111  17.18 +/- 1.63   0.005% *  0.1472% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  38  18.02 +/- 3.60   0.006% *  0.1086% (0.10 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD2   LYS+ 111  16.63 +/- 1.41   0.006% *  0.0911% (0.09 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  65  19.09 +/- 2.30   0.006% *  0.0803% (0.76  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38  10.22 +/- 0.62   0.114% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 111  14.16 +/- 2.24   0.025% *  0.0168% (0.16  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+  38  19.45 +/- 0.96   0.002% *  0.1771% (0.17 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  13.87 +/- 2.20   0.039% *  0.0104% (0.10  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  15.53 +/- 2.35   0.013% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  65  15.73 +/- 1.11   0.010% *  0.0262% (0.25  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  65  18.62 +/- 1.33   0.004% *  0.0679% (0.65  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  15.40 +/- 2.43   0.022% *  0.0089% (0.08  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  65  18.96 +/- 1.87   0.004% *  0.0511% (0.49  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+ 102  23.50 +/- 1.41   0.001% *  0.2450% (0.23 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  16.72 +/- 1.45   0.006% *  0.0246% (0.23  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+ 111  24.52 +/- 2.40   0.001% *  0.2400% (0.23 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  15.73 +/- 1.26   0.008% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  14.00 +/- 1.70   0.024% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 111  23.36 +/- 2.36   0.001% *  0.1485% (0.14 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  14.88 +/- 2.33   0.021% *  0.0055% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  15.88 +/- 1.19   0.007% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  65  19.06 +/- 1.48   0.003% *  0.0358% (0.34  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  17.22 +/- 2.15   0.008% *  0.0127% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  19.90 +/- 3.94   0.004% *  0.0181% (0.17  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  38  19.00 +/- 2.11   0.004% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  16.58 +/- 2.05   0.008% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  65  24.88 +/- 1.26   0.001% *  0.1014% (0.97  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  20.18 +/- 3.16   0.002% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  16.17 +/- 2.82   0.012% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  20.34 +/- 2.54   0.002% *  0.0199% (0.19  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  16.57 +/- 1.65   0.005% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  19.92 +/- 2.50   0.003% *  0.0123% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  23.22 +/- 2.51   0.001% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  22.04 +/- 1.25   0.001% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  23.33 +/- 1.86   0.001% *  0.0203% (0.19  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  24.35 +/- 2.03   0.001% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  22.68 +/- 1.62   0.001% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  23.30 +/- 2.48   0.001% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  21.97 +/- 0.89   0.001% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  19.67 +/- 2.12   0.003% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  27.99 +/- 2.78   0.000% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  21.83 +/- 2.68   0.002% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  26.84 +/- 1.11   0.000% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  26.87 +/- 2.76   0.000% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  33.28 +/- 2.56   0.000% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  25.11 +/- 1.66   0.001% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  27.31 +/- 1.11   0.000% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  22.03 +/- 2.59   0.001% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  28.16 +/- 1.52   0.000% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  25.17 +/- 1.83   0.000% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  29.93 +/- 1.05   0.000% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  32.25 +/- 0.88   0.000% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  32.74 +/- 2.36   0.000% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.05 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.86, support = 4.99, residual support = 163.4:
    * O T QB    LYS+  65 - QD    LYS+  65   2.12 +/- 0.13  50.035% * 77.3143% (1.00  10.0 10.00   5.04 164.30) =  81.349%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.20 +/- 0.33  46.288% * 19.1545% (0.25  10.0 10.00   4.75 159.35) =  18.645%  kept
        T HG2   PRO   93 - HD2   LYS+ 111  12.01 +/- 3.39   2.844% *  0.0989% (0.13   1.0 10.00   0.02   0.02) =   0.006%
          HB3   GLN   17 - QD    LYS+  65   5.85 +/- 1.73   0.346% *  0.0469% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.09 +/- 0.51   0.140% *  0.0438% (0.57   1.0  1.00   0.02  25.13) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  38   9.71 +/- 1.91   0.017% *  0.1384% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD3   LYS+ 111  12.61 +/- 3.07   0.084% *  0.0160% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+ 102   6.12 +/- 1.01   0.226% *  0.0049% (0.06   1.0  1.00   0.02  22.38) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102   9.61 +/- 0.82   0.009% *  0.0733% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  38  10.46 +/- 0.63   0.004% *  0.0530% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  17.53 +/- 1.51   0.000% *  0.6458% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.68 +/- 0.78   0.001% *  0.0771% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  17.42 +/- 0.94   0.000% *  0.2902% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  10.82 +/- 0.54   0.003% *  0.0141% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  21.54 +/- 1.20   0.000% *  0.7578% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.04 +/- 1.09   0.001% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD3   LYS+ 111  20.57 +/- 2.20   0.000% *  0.1914% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+  38  18.87 +/- 0.82   0.000% *  0.1412% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.50 +/- 2.23   0.000% *  0.1184% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  21.77 +/- 1.18   0.000% *  0.1954% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.22 +/- 1.34   0.000% *  0.1632% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  22.00 +/- 2.17   0.000% *  0.1161% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  13.99 +/- 1.13   0.001% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  16.51 +/- 1.28   0.000% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  26.32 +/- 1.05   0.000% *  0.1180% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.17 +/- 1.96   0.000% *  0.0445% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  19.02 +/- 2.24   0.000% *  0.0108% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  19.38 +/- 1.63   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  18.02 +/- 2.06   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  21.45 +/- 1.35   0.000% *  0.0193% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  22.10 +/- 2.67   0.000% *  0.0188% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  20.91 +/- 1.29   0.000% *  0.0086% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  25.27 +/- 2.56   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  20.96 +/- 2.17   0.000% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  24.53 +/- 2.29   0.000% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  24.61 +/- 1.34   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  23.68 +/- 2.32   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  20.79 +/- 1.69   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  27.02 +/- 2.85   0.000% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  25.90 +/- 2.85   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 164.3:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.29 +/- 0.10  85.524% * 94.3122% (1.00  10.0 10.00   4.44 164.30) =  99.990%  kept
        T QD    LYS+  66 - QD    LYS+  65   6.05 +/- 1.00   0.569% *  0.6848% (0.73   1.0 10.00   0.02  25.13) =   0.005%
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.50 +/- 0.38   9.223% *  0.0253% (0.03  10.0  1.00   0.02 315.47) =   0.003%
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.78 +/- 0.20   4.454% *  0.0409% (0.04  10.0  1.00   0.02 315.47) =   0.002%
        T HB2   LYS+  74 - QD    LYS+  65  12.35 +/- 1.66   0.005% *  0.7878% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  65  16.53 +/- 2.54   0.002% *  0.9348% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  65  12.35 +/- 2.43   0.008% *  0.1455% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+ 102   7.26 +/- 1.02   0.135% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+ 102  16.10 +/- 4.11   0.002% *  0.2363% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD3   LYS+ 111  15.55 +/- 2.36   0.002% *  0.2314% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  65  16.36 +/- 1.44   0.001% *  0.2352% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  65  14.16 +/- 1.21   0.002% *  0.0935% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.62 +/- 0.87   0.041% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  15.54 +/- 3.75   0.002% *  0.0594% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  18.15 +/- 3.10   0.001% *  0.1708% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+  38  17.91 +/- 1.48   0.000% *  0.1251% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  10.41 +/- 1.12   0.012% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HD3   LYS+ 111  19.96 +/- 2.88   0.000% *  0.1695% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  16.48 +/- 1.92   0.001% *  0.0582% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  17.02 +/- 3.10   0.001% *  0.0430% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  21.14 +/- 1.92   0.000% *  0.1731% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  12.29 +/- 1.55   0.005% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  15.08 +/- 2.40   0.002% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  21.02 +/- 0.94   0.000% *  0.1723% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  15.00 +/- 1.11   0.001% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  20.55 +/- 0.75   0.000% *  0.1439% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  23.57 +/- 2.37   0.000% *  0.2335% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  23.48 +/- 2.37   0.000% *  0.1950% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  14.86 +/- 0.65   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  16.08 +/- 1.48   0.001% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  22.37 +/- 2.45   0.000% *  0.1445% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  24.38 +/- 1.57   0.000% *  0.2384% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  22.01 +/- 2.33   0.000% *  0.0360% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  19.69 +/- 1.41   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  21.63 +/- 1.10   0.000% *  0.0368% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  19.63 +/- 2.14   0.000% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  18.93 +/- 2.77   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  20.34 +/- 0.96   0.000% *  0.0199% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  15.99 +/- 1.56   0.001% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  22.64 +/- 0.70   0.000% *  0.0266% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  22.64 +/- 2.46   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  25.09 +/- 2.18   0.000% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  24.50 +/- 2.12   0.000% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  21.58 +/- 2.71   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  20.82 +/- 2.15   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  21.25 +/- 2.27   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  21.15 +/- 2.53   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  23.89 +/- 3.03   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  23.22 +/- 2.63   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  26.27 +/- 2.65   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 = 164.3:
    * O T QE    LYS+  65 - QD    LYS+  65   2.10 +/- 0.03  99.927% * 97.0780% (1.00  10.0 10.00   4.00 164.30) = 100.000%  kept
        T QE    LYS+  33 - QD    LYS+  65  15.12 +/- 1.69   0.001% *  0.8706% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+  38  11.35 +/- 1.05   0.005% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  38   7.49 +/- 0.68   0.058% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+ 102  16.59 +/- 1.40   0.000% *  0.2201% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  12.95 +/- 2.46   0.003% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  12.49 +/- 1.55   0.003% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  38  20.41 +/- 1.03   0.000% *  0.1773% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  22.22 +/- 2.07   0.000% *  0.2403% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  21.13 +/- 2.25   0.000% *  0.1487% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  23.53 +/- 1.48   0.000% *  0.2454% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  16.17 +/- 1.47   0.001% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  16.56 +/- 0.62   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  22.40 +/- 1.32   0.000% *  0.0937% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  22.20 +/- 1.19   0.000% *  0.0589% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  24.27 +/- 1.35   0.000% *  0.0896% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  65  21.37 +/- 1.95   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.36 +/- 3.10   0.000% *  0.2155% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  28.67 +/- 2.89   0.000% *  0.1334% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  20.37 +/- 1.84   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  23.84 +/- 2.81   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  23.77 +/- 2.74   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  25.04 +/- 2.92   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  24.16 +/- 1.76   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  24.63 +/- 3.03   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  31.93 +/- 2.23   0.000% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  31.45 +/- 2.16   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  32.77 +/- 2.41   0.000% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  28.32 +/- 0.94   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  32.25 +/- 2.18   0.000% *  0.0090% (0.09   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 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.918, support = 4.74, residual support = 163.3:
    *   T HA    LYS+  65 - QE    LYS+  65   4.16 +/- 0.62  81.383% * 88.0388% (0.92 10.00   4.75 164.30) =  99.335%  kept
        T HA    GLN   32 - QE    LYS+  33   7.12 +/- 0.62   4.809% *  9.7024% (0.10 10.00   3.22  11.62) =   0.647%  kept
          HA2   GLY   16 - QE    LYS+  65   6.13 +/- 1.27  13.314% *  0.0920% (0.97  1.00   0.02   0.02) =   0.017%
        T HA    LYS+  65 - QE    LYS+  33  14.90 +/- 1.99   0.061% *  0.4526% (0.47 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  65  17.17 +/- 1.31   0.025% *  0.5399% (0.57 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QE    LYS+  33  13.07 +/- 2.30   0.185% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  65  14.32 +/- 1.33   0.063% *  0.0902% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  65  18.46 +/- 2.71   0.021% *  0.0729% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  33  22.05 +/- 3.16   0.005% *  0.2776% (0.29 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  65  18.53 +/- 1.53   0.014% *  0.0617% (0.65  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  65  18.27 +/- 2.40   0.019% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  22.36 +/- 1.42   0.004% *  0.1887% (0.20 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  65  16.14 +/- 0.76   0.029% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  18.51 +/- 2.03   0.016% *  0.0325% (0.34  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  33  19.58 +/- 1.23   0.010% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  33  19.76 +/- 1.89   0.010% *  0.0317% (0.33  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  33  21.87 +/- 3.69   0.007% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  33  21.05 +/- 2.21   0.008% *  0.0375% (0.39  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  65  24.71 +/- 1.71   0.003% *  0.0920% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  21.81 +/- 2.09   0.005% *  0.0122% (0.13  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  25.03 +/- 2.12   0.002% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  26.73 +/- 1.86   0.002% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  23.01 +/- 1.34   0.004% *  0.0086% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  26.72 +/- 1.40   0.001% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.04 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 0.997, support = 5.03, residual support = 163.8:
    *   T QB    LYS+  65 - QE    LYS+  65   3.33 +/- 0.36  77.187% * 87.8848% (1.00 10.00   5.04 164.30) =  99.708%  kept
          QB    LYS+  66 - QE    LYS+  65   7.01 +/- 0.82   1.688% * 11.0997% (0.57  1.00   4.46  25.13) =   0.275%
          HB3   GLN   17 - QE    LYS+  65   5.69 +/- 2.03  19.381% *  0.0533% (0.61  1.00   0.02   0.02) =   0.015%
          HB2   LEU   71 - QE    LYS+  33   7.59 +/- 1.76   1.513% *  0.0451% (0.51  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - QE    LYS+  33  15.08 +/- 1.80   0.013% *  0.4518% (0.51 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  33  10.68 +/- 1.22   0.110% *  0.0170% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  65  14.12 +/- 1.18   0.016% *  0.0877% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  33  13.12 +/- 2.05   0.042% *  0.0274% (0.31  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  33  15.40 +/- 1.48   0.013% *  0.0443% (0.50  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  15.45 +/- 2.48   0.018% *  0.0256% (0.29  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  65  17.27 +/- 1.56   0.005% *  0.0734% (0.84  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  65  17.82 +/- 1.23   0.004% *  0.0330% (0.38  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  65  22.02 +/- 1.30   0.001% *  0.0861% (0.98  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  16.35 +/- 1.53   0.007% *  0.0113% (0.13  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  22.73 +/- 2.25   0.001% *  0.0377% (0.43  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  21.80 +/- 1.45   0.001% *  0.0219% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 164.3:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.72 +/- 0.29  95.455% * 98.8048% (1.00  10.0 10.00   4.44 164.30) =  99.997%  kept
          QD    LYS+  66 - QE    LYS+  65   7.02 +/- 1.41   2.355% *  0.0717% (0.73   1.0  1.00   0.02  25.13) =   0.002%
          QG2   THR   26 - QE    LYS+  33   6.06 +/- 1.26   2.050% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QE    LYS+  65  11.96 +/- 1.99   0.022% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QE    LYS+  33  16.16 +/- 2.08   0.003% *  0.5079% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  33  12.59 +/- 1.69   0.021% *  0.0424% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  65  14.01 +/- 1.65   0.006% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  65  17.18 +/- 2.42   0.006% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  65  11.85 +/- 2.83   0.034% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  11.70 +/- 1.62   0.026% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  16.87 +/- 2.35   0.004% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  15.72 +/- 1.26   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  17.07 +/- 1.40   0.002% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  15.12 +/- 1.65   0.005% *  0.0078% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  16.08 +/- 1.42   0.003% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  21.57 +/- 2.83   0.001% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  19.70 +/- 2.01   0.001% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  20.32 +/- 1.43   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  20.84 +/- 2.93   0.001% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  26.48 +/- 3.05   0.000% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 164.3:
    * O T QD    LYS+  65 - QE    LYS+  65   2.10 +/- 0.03  99.954% * 96.2302% (1.00  10.0 10.00   4.00 164.30) = 100.000%  kept
        T QD    LYS+  38 - QE    LYS+  33  11.35 +/- 1.05   0.005% *  0.4567% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  65   9.12 +/- 1.72   0.025% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  11.76 +/- 2.52   0.009% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  33  15.12 +/- 1.69   0.001% *  0.4947% (0.51   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  33  16.59 +/- 1.40   0.000% *  0.2801% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  65  20.41 +/- 1.03   0.000% *  0.8883% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  65  16.31 +/- 1.41   0.001% *  0.0960% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  14.37 +/- 1.80   0.001% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  14.11 +/- 1.78   0.002% *  0.0280% (0.29   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  65  23.53 +/- 1.48   0.000% *  0.5448% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  16.15 +/- 1.28   0.001% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  22.22 +/- 2.07   0.000% *  0.2400% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  21.13 +/- 2.25   0.000% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  17.19 +/- 1.66   0.000% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  65  21.99 +/- 2.28   0.000% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  20.97 +/- 2.67   0.000% *  0.0494% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  17.46 +/- 1.56   0.000% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  21.71 +/- 4.46   0.000% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.36 +/- 3.10   0.000% *  0.1234% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  22.64 +/- 2.33   0.000% *  0.0186% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  28.67 +/- 2.89   0.000% *  0.0763% (0.08   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 112.8:
    * O T QB    LYS+  66 - HA    LYS+  66   2.44 +/- 0.09  96.189% * 86.1578% (1.00  10.0 10.00   4.99 113.34) =  99.414%  kept
          QB    LYS+  65 - HA    LYS+  66   4.23 +/- 0.24   3.764% * 12.9703% (0.57   1.0  1.00   5.32  25.13) =   0.586%  kept
          HG    LEU  123 - HA    LYS+  66  10.05 +/- 2.34   0.042% *  0.0488% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  66  13.84 +/- 0.71   0.003% *  0.0453% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  66  23.42 +/- 0.79   0.000% *  0.4878% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  66  17.58 +/- 0.99   0.001% *  0.0815% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  66  20.79 +/- 1.69   0.000% *  0.0773% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  21.83 +/- 1.82   0.000% *  0.0720% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  21.26 +/- 1.62   0.000% *  0.0592% (0.69   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 731 (1.44, 4.07, 57.65 ppm):
    12 chemical-shift based assignments, quality = 0.995, support = 4.32, residual support = 112.5:
    * O T QG    LYS+  66 - HA    LYS+  66   2.51 +/- 0.34  97.181% * 72.3676% (1.00  10.0 10.00   4.31 113.34) =  99.230%  kept
        T HG    LEU   67 - HA    LYS+  66   5.66 +/- 0.93   2.008% * 27.1604% (0.38   1.0 10.00   4.64  11.09) =   0.770%  kept
          HB3   LEU   67 - HA    LYS+  66   6.12 +/- 0.60   0.685% *  0.0685% (0.95   1.0  1.00   0.02  11.09) =   0.001%
          QB    ALA   61 - HA    LYS+  66   8.48 +/- 0.65   0.099% *  0.0604% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  66  13.54 +/- 1.44   0.010% *  0.0352% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+  66  15.62 +/- 1.24   0.003% *  0.0685% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  66  14.96 +/- 2.02   0.005% *  0.0352% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  66  13.81 +/- 1.64   0.005% *  0.0381% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  18.18 +/- 2.66   0.004% *  0.0439% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  24.66 +/- 2.09   0.000% *  0.0628% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  24.73 +/- 1.07   0.000% *  0.0468% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  24.91 +/- 0.99   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.01 A, kept.
 
    Peak 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 4.32, residual support = 112.1:
    *   T QD    LYS+  66 - HA    LYS+  66   2.49 +/- 0.67  92.016% * 85.1940% (1.00 10.00   4.31 113.34) =  98.616%  kept
          HG2   LYS+  65 - HA    LYS+  66   5.92 +/- 1.19   7.959% * 13.8267% (0.73  1.00   4.47  25.13) =   1.384%  kept
        T HD2   LYS+ 121 - HA    LYS+  66  14.53 +/- 3.12   0.013% *  0.6822% (0.80 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    LYS+  66  14.01 +/- 1.89   0.006% *  0.0585% (0.69  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  66  17.34 +/- 0.95   0.002% *  0.0551% (0.65  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  66  16.89 +/- 1.36   0.002% *  0.0448% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  66  16.45 +/- 1.21   0.002% *  0.0320% (0.38  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  66  18.38 +/- 1.80   0.001% *  0.0585% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  66  20.81 +/- 2.33   0.001% *  0.0482% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.82, residual support = 113.3:
    *   T QE    LYS+  66 - HA    LYS+  66   3.83 +/- 0.52  99.724% * 99.6609% (1.00 10.00   3.82 113.34) = 100.000%  kept
          HB2   ASN   69 - HA    LYS+  66  10.52 +/- 1.25   0.271% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  66  23.24 +/- 0.95   0.002% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HA    LYS+  66  23.46 +/- 1.36   0.002% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 113.3:
    * O T HA    LYS+  66 - QB    LYS+  66   2.44 +/- 0.09  99.864% * 99.9488% (1.00  10.0 10.00   4.99 113.34) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66   7.93 +/- 1.12   0.135% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  20.57 +/- 1.69   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  24.71 +/- 1.18   0.000% *  0.0154% (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 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 = 0.993, support = 4.31, residual support = 112.3:
    * O T QG    LYS+  66 - QB    LYS+  66   2.06 +/- 0.03  96.927% * 71.9610% (1.00  10.0 10.00   4.31 113.34) =  98.959%  kept
        T HG    LEU   67 - QB    LYS+  66   4.96 +/- 1.30   2.716% * 27.0078% (0.38   1.0 10.00   4.61  11.09) =   1.041%  kept
          HB3   LEU   67 - QB    LYS+  66   5.52 +/- 0.29   0.277% *  0.0681% (0.95   1.0  1.00   0.02  11.09) =   0.000%
          QB    ALA   61 - QB    LYS+  66   7.20 +/- 0.51   0.058% *  0.0601% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+  66  10.99 +/- 1.43   0.008% *  0.0350% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  14.62 +/- 2.26   0.004% *  0.0436% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+  66  11.37 +/- 1.66   0.005% *  0.0350% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+  66  13.37 +/- 1.39   0.002% *  0.0681% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  12.70 +/- 1.61   0.002% *  0.0379% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QB    LYS+  66  20.68 +/- 1.91   0.000% *  0.6242% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  21.21 +/- 1.22   0.000% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  21.32 +/- 1.07   0.000% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 738 (1.51, 1.82, 33.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 113.3:
    * O T QD    LYS+  66 - QB    LYS+  66   2.34 +/- 0.17  98.882% * 98.1588% (1.00  10.0 10.00   4.31 113.34) =  99.992%  kept
        T HG2   LYS+  65 - QB    LYS+  66   5.96 +/- 0.98   0.804% *  0.7128% (0.73   1.0 10.00   0.02  25.13) =   0.006%
        T HD2   LYS+ 121 - QB    LYS+  66  11.03 +/- 2.72   0.277% *  0.7860% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+ 121 - QB    LYS+  66  10.57 +/- 1.68   0.028% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  14.96 +/- 1.71   0.002% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  66  14.42 +/- 1.17   0.002% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  66  14.18 +/- 1.11   0.003% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  15.42 +/- 1.00   0.001% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  16.51 +/- 2.01   0.001% *  0.0556% (0.57   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 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.81, residual support = 113.3:
    *   T QE    LYS+  66 - QB    LYS+  66   3.03 +/- 0.61  99.311% * 99.6609% (1.00 10.00   3.81 113.34) = 100.000%  kept
          HB2   ASN   69 - QB    LYS+  66   9.59 +/- 1.37   0.685% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  66  20.02 +/- 0.99   0.002% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QB    LYS+  66  20.74 +/- 1.65   0.002% *  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 = 113.3:
    * O T HA    LYS+  66 - QG    LYS+  66   2.51 +/- 0.34  94.564% * 99.8680% (1.00  10.0 10.00   4.31 113.34) =  99.998%  kept
        T HA    LYS+  66 - HG    LEU   67   5.66 +/- 0.93   2.010% *  0.0769% (0.08   1.0 10.00   0.02  11.09) =   0.002%
          HA1   GLY   16 - HG    LEU   67   7.10 +/- 2.64   3.312% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  66   8.39 +/- 1.38   0.113% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  21.81 +/- 1.56   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  25.72 +/- 1.57   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  18.89 +/- 2.47   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  26.43 +/- 1.74   0.000% *  0.0012% (0.01   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 747 (1.82, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 113.3:
    * O T QB    LYS+  66 - QG    LYS+  66   2.06 +/- 0.03  92.344% * 97.7883% (1.00  10.0 10.00   4.31 113.34) =  99.996%  kept
        T QB    LYS+  66 - HG    LEU   67   4.96 +/- 1.30   2.558% *  0.0753% (0.08   1.0 10.00   0.02  11.09) =   0.002%
          QB    LYS+  65 - QG    LYS+  66   4.18 +/- 0.88   2.802% *  0.0554% (0.57   1.0  1.00   0.02  25.13) =   0.002%
          HG    LEU  123 - HG    LEU   67  11.01 +/- 4.00   2.075% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  66   7.73 +/- 2.05   0.121% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG    LYS+  66  16.06 +/- 1.67   0.001% *  0.9250% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   7.06 +/- 0.99   0.084% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QG    LYS+  66  18.86 +/- 2.04   0.000% *  0.6717% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG    LEU   67  13.68 +/- 1.86   0.002% *  0.0712% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    LYS+  66  13.27 +/- 1.20   0.002% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67  10.10 +/- 1.48   0.011% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    LYS+  66  17.49 +/- 1.82   0.000% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  19.20 +/- 2.35   0.000% *  0.0817% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  17.85 +/- 2.50   0.000% *  0.0517% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  19.65 +/- 1.20   0.000% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  18.27 +/- 2.57   0.000% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  20.10 +/- 2.00   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  23.34 +/- 1.85   0.000% *  0.0043% (0.04   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 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 = 113.3:
    * O T QD    LYS+  66 - QG    LYS+  66   2.08 +/- 0.03  96.151% * 98.6006% (1.00  10.0 10.00   4.00 113.34) =  99.990%  kept
        T HD2   LYS+ 121 - QG    LYS+  66  11.56 +/- 3.30   0.954% *  0.7895% (0.80   1.0 10.00   0.02   0.02) =   0.008%
          HG2   LYS+  65 - QG    LYS+  66   5.97 +/- 1.68   2.483% *  0.0716% (0.73   1.0  1.00   0.02  25.13) =   0.002%
        T QD    LYS+  66 - HG    LEU   67   6.60 +/- 1.27   0.334% *  0.0759% (0.08   1.0 10.00   0.02  11.09) =   0.000%
          HB3   LYS+ 121 - QG    LYS+  66  11.27 +/- 2.22   0.016% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG    LEU   67  13.76 +/- 3.44   0.004% *  0.0608% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   8.34 +/- 1.27   0.043% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  16.21 +/- 2.31   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG    LYS+  66  15.22 +/- 1.41   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG    LEU   67  14.64 +/- 1.86   0.001% *  0.0285% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  15.13 +/- 1.42   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  16.32 +/- 0.99   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  16.84 +/- 2.17   0.001% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  13.00 +/- 2.88   0.005% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  14.82 +/- 2.96   0.002% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  14.80 +/- 1.88   0.001% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  15.75 +/- 1.81   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  20.74 +/- 3.38   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 = 3.52, residual support = 113.3:
    * O T QE    LYS+  66 - QG    LYS+  66   2.14 +/- 0.16  99.695% * 99.5585% (1.00  10.0 10.00   3.52 113.34) = 100.000%  kept
        T QE    LYS+  66 - HG    LEU   67   7.25 +/- 1.55   0.217% *  0.0766% (0.08   1.0 10.00   0.02  11.09) =   0.000%
          HB2   ASN   69 - QG    LYS+  66  10.73 +/- 1.60   0.013% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG    LEU   67   8.04 +/- 1.04   0.075% *  0.0024% (0.02   1.0  1.00   0.02   2.96) =   0.000%
        T HB2   ASP-  76 - QG    LYS+  66  20.92 +/- 1.23   0.000% *  0.2217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QG    LYS+  66  22.06 +/- 1.60   0.000% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  21.27 +/- 1.50   0.000% *  0.0171% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HG    LEU   67  19.22 +/- 2.21   0.000% *  0.0066% (0.07   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 752 (4.07, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 113.3:
    *   T HA    LYS+  66 - QD    LYS+  66   2.49 +/- 0.67  99.771% * 99.8184% (1.00 10.00   4.31 113.34) = 100.000%  kept
          HA1   GLY   16 - QD    LYS+  66   8.69 +/- 1.39   0.212% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HD2   LYS+ 121  14.53 +/- 3.12   0.014% *  0.1241% (0.12 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  22.18 +/- 1.50   0.001% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  26.63 +/- 1.37   0.000% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  19.04 +/- 2.91   0.001% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  25.15 +/- 3.28   0.000% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  26.57 +/- 2.63   0.000% *  0.0019% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 0.989, support = 4.34, residual support = 111.1:
    * O T QB    LYS+  66 - QD    LYS+  66   2.34 +/- 0.17  94.941% * 63.5425% (1.00  10.0 10.00   4.31 113.34) =  97.442%  kept
        T QB    LYS+  65 - QD    LYS+  66   4.58 +/- 0.87   4.401% * 35.9749% (0.57   1.0 10.00   5.32  25.13) =   2.557%  kept
        T QB    LYS+  66 - HD2   LYS+ 121  11.03 +/- 2.72   0.280% *  0.0790% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  66   8.03 +/- 2.23   0.310% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 121  14.62 +/- 2.54   0.005% *  0.0447% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   8.69 +/- 0.96   0.044% *  0.0045% (0.07   1.0  1.00   0.02   2.26) =   0.000%
          HB2   LEU   71 - QD    LYS+  66  13.90 +/- 1.07   0.003% *  0.0334% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD    LYS+  66  16.79 +/- 1.46   0.001% *  0.0601% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  14.92 +/- 4.00   0.004% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD    LYS+  66  18.38 +/- 2.10   0.000% *  0.0570% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  14.74 +/- 3.67   0.005% *  0.0054% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  20.05 +/- 2.16   0.000% *  0.0531% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  15.41 +/- 3.42   0.003% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  19.49 +/- 1.85   0.000% *  0.0436% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  20.48 +/- 1.33   0.000% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  17.66 +/- 2.01   0.001% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  16.25 +/- 2.71   0.001% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  20.26 +/- 1.99   0.000% *  0.0045% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.78 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 = 113.3:
    * O T QG    LYS+  66 - QD    LYS+  66   2.08 +/- 0.03  98.477% * 98.6304% (1.00  10.0 10.00   4.00 113.34) =  99.997%  kept
        T HG    LEU   67 - QD    LYS+  66   6.60 +/- 1.27   0.337% *  0.3702% (0.38   1.0 10.00   0.02  11.09) =   0.001%
        T QG    LYS+  66 - HD2   LYS+ 121  11.56 +/- 3.30   1.006% *  0.1226% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QD    LYS+  66   7.23 +/- 0.77   0.077% *  0.0933% (0.95   1.0  1.00   0.02  11.09) =   0.000%
          QB    ALA   61 - QD    LYS+  66   8.02 +/- 1.12   0.052% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HD2   LYS+ 121  11.86 +/- 3.49   0.015% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HD2   LYS+ 121  10.21 +/- 1.39   0.010% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  66  12.64 +/- 2.54   0.005% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HD2   LYS+ 121  13.76 +/- 3.44   0.004% *  0.0460% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  66  12.98 +/- 1.71   0.003% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  15.59 +/- 2.66   0.002% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  66  15.40 +/- 1.55   0.001% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  14.23 +/- 1.48   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  13.65 +/- 2.99   0.003% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  13.30 +/- 2.03   0.003% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  17.44 +/- 4.79   0.001% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  14.19 +/- 1.55   0.001% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  22.63 +/- 2.26   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  17.88 +/- 2.48   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  23.18 +/- 1.48   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  23.28 +/- 1.41   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  21.33 +/- 3.26   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  24.23 +/- 2.69   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  24.17 +/- 2.34   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 = 3.44, residual support = 113.3:
    * O T QE    LYS+  66 - QD    LYS+  66   2.09 +/- 0.02  99.780% * 99.4957% (1.00  10.0 10.00   3.44 113.34) = 100.000%  kept
        T QE    LYS+  66 - HD2   LYS+ 121  11.86 +/- 3.20   0.206% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  66  10.83 +/- 1.54   0.012% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  66  21.77 +/- 1.31   0.000% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  22.56 +/- 1.51   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  15.94 +/- 2.80   0.002% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  24.65 +/- 1.98   0.000% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  24.08 +/- 3.50   0.000% *  0.0107% (0.11   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 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.82, residual support = 113.3:
    *   T HA    LYS+  66 - QE    LYS+  66   3.83 +/- 0.52  98.211% * 99.7309% (1.00 10.00   3.82 113.34) = 100.000%  kept
          HA1   GLY   16 - QE    LYS+  66   9.95 +/- 1.40   0.526% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASP-  76   8.25 +/- 0.52   1.249% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB2   ASP-  76  23.24 +/- 0.95   0.002% *  0.2073% (0.21 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  66  22.85 +/- 1.72   0.003% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  19.71 +/- 1.06   0.007% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QE    LYS+  66  27.44 +/- 1.55   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  25.06 +/- 0.82   0.002% *  0.0046% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 5.48 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 = 0.994, support = 3.82, residual support = 112.2:
    *   T QB    LYS+  66 - QE    LYS+  66   3.03 +/- 0.61  88.907% * 87.7900% (1.00 10.00   3.81 113.34) =  98.681%  kept
          QB    LYS+  65 - QE    LYS+  66   5.80 +/- 1.05   9.078% * 11.4844% (0.57  1.00   4.62  25.13) =   1.318%  kept
          HG    LEU  123 - QE    LYS+  66   7.60 +/- 2.67   1.944% *  0.0497% (0.57  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+  66  14.72 +/- 1.28   0.012% *  0.0462% (0.53  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  66  17.39 +/- 1.78   0.005% *  0.0830% (0.95  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   ASP-  76  13.32 +/- 1.67   0.019% *  0.0164% (0.19  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HB2   ASP-  76  20.02 +/- 0.99   0.002% *  0.1825% (0.21 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  66  18.81 +/- 2.06   0.003% *  0.0787% (0.90  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  66  19.62 +/- 2.21   0.003% *  0.0603% (0.69  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  66  20.37 +/- 2.44   0.002% *  0.0733% (0.84  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  16.51 +/- 1.04   0.005% *  0.0173% (0.20  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  16.13 +/- 1.85   0.006% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  66  20.84 +/- 1.52   0.001% *  0.0497% (0.57  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  16.36 +/- 0.70   0.005% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  18.13 +/- 1.25   0.003% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   ASP-  76  18.11 +/- 0.94   0.003% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  20.91 +/- 1.19   0.001% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  26.03 +/- 1.75   0.000% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.20 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 = 3.52, residual support = 113.3:
    * O T QG    LYS+  66 - QE    LYS+  66   2.14 +/- 0.16  98.407% * 98.5716% (1.00  10.0 10.00   3.52 113.34) =  99.999%  kept
        T HG    LEU   67 - QE    LYS+  66   7.25 +/- 1.55   0.214% *  0.3700% (0.38   1.0 10.00   0.02  11.09) =   0.001%
          HG    LEU   80 - HB2   ASP-  76   6.09 +/- 1.30   0.671% *  0.0133% (0.13   1.0  1.00   0.02   3.72) =   0.000%
          HB3   LEU   67 - QE    LYS+  66   7.89 +/- 1.06   0.080% *  0.0932% (0.95   1.0  1.00   0.02  11.09) =   0.000%
          QB    ALA   61 - QE    LYS+  66   8.87 +/- 1.28   0.046% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   5.52 +/- 0.91   0.554% *  0.0036% (0.04   1.0  1.00   0.02   3.72) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  12.74 +/- 2.62   0.009% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  66  13.38 +/- 2.10   0.005% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  66  15.60 +/- 2.46   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  12.09 +/- 0.79   0.004% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  16.36 +/- 1.52   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  15.38 +/- 1.66   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   ASP-  76  12.72 +/- 1.05   0.002% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB2   ASP-  76  20.92 +/- 1.23   0.000% *  0.2049% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  13.54 +/- 1.48   0.002% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  22.79 +/- 2.79   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB2   ASP-  76  21.27 +/- 1.50   0.000% *  0.0769% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  16.53 +/- 2.75   0.001% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  24.09 +/- 1.64   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  18.80 +/- 1.31   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  21.04 +/- 1.34   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  19.65 +/- 1.14   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  23.89 +/- 1.78   0.000% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  24.18 +/- 1.46   0.000% *  0.0173% (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 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 113.3:
    * O T QD    LYS+  66 - QE    LYS+  66   2.09 +/- 0.02  99.266% * 98.3437% (1.00  10.0 10.00   3.44 113.34) =  99.998%  kept
        T HD2   LYS+ 121 - QE    LYS+  66  11.86 +/- 3.20   0.204% *  0.7875% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+  65 - QE    LYS+  66   7.74 +/- 1.62   0.129% *  0.0714% (0.73   1.0  1.00   0.02  25.13) =   0.000%
          HD3   LYS+  74 - HB2   ASP-  76   7.02 +/- 1.51   0.230% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  66  11.58 +/- 2.30   0.020% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   7.14 +/- 1.08   0.121% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76   8.80 +/- 1.03   0.028% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  16.99 +/- 2.50   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  17.54 +/- 2.57   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  66  17.09 +/- 1.53   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  17.81 +/- 1.17   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HB2   ASP-  76  21.77 +/- 1.31   0.000% *  0.2045% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  17.04 +/- 1.45   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  24.65 +/- 1.98   0.000% *  0.1637% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  19.29 +/- 2.05   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  22.25 +/- 1.10   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  22.12 +/- 2.21   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  24.79 +/- 1.91   0.000% *  0.0140% (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 763 (2.87, 2.87, 42.12 ppm):
    2 diagonal assignments:
    *     QE    LYS+  66 - QE    LYS+  66  (1.00)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.05)  kept
 
    Peak 764 (4.72, 4.72, 64.19 ppm):
    1 diagonal assignment:
    *     HA    PRO   68 - HA    PRO   68  (1.00)  kept
 
    Peak 765 (2.11, 4.72, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 36.5:
    * O T HB2   PRO   68 - HA    PRO   68   2.58 +/- 0.21  99.996% * 98.6006% (0.84  10.0 10.00   2.00  36.54) = 100.000%  kept
        T HB    VAL   24 - HA    PRO   68  24.15 +/- 1.90   0.000% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    PRO   68  16.17 +/- 1.35   0.002% *  0.1059% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   68  17.74 +/- 1.40   0.001% *  0.1157% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (4.72, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 36.5:
    * O T HA    PRO   68 - HB2   PRO   68   2.58 +/- 0.21 100.000% * 99.1920% (0.84  10.0 10.00   2.00  36.54) = 100.000%  kept
        T HA    PRO   68 - HB    VAL   24  24.15 +/- 1.90   0.000% *  0.8080% (0.68   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 767 (2.11, 2.11, 31.99 ppm):
    2 diagonal assignments:
    *     HB2   PRO   68 - HB2   PRO   68  (0.70)  kept
          HB    VAL   24 - HB    VAL   24  (0.68)  kept
 
    Peak 768 (4.68, 4.68, 53.57 ppm):
    1 diagonal assignment:
    *     HA    ASN   69 - HA    ASN   69  (1.00)  kept
 
    Peak 769 (2.90, 4.68, 53.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 59.6:
    * O T HB2   ASN   69 - HA    ASN   69   2.54 +/- 0.21  99.840% * 99.7955% (1.00  10.0 10.00   3.31  59.58) = 100.000%  kept
          QE    LYS+  33 - HA    ASN   69  10.74 +/- 2.41   0.134% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HA    ASN   69  10.91 +/- 1.23   0.026% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   69  22.91 +/- 0.70   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  27.51 +/- 0.61   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 59.6:
    * O T HB3   ASN   69 - HA    ASN   69   2.61 +/- 0.21  99.935% * 99.7714% (1.00  10.0 10.00   3.00  59.58) = 100.000%  kept
          HB2   PHE   72 - HA    ASN   69   9.12 +/- 0.34   0.062% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASN   69  15.56 +/- 0.97   0.003% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    ASN   69  23.19 +/- 1.46   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (4.68, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 59.6:
    * O T HA    ASN   69 - HB2   ASN   69   2.54 +/- 0.21  99.997% * 99.8126% (1.00  10.0 10.00   3.31  59.58) = 100.000%  kept
          HA    VAL   43 - HB2   ASN   69  15.01 +/- 0.53   0.003% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB2   ASN   69  22.52 +/- 1.12   0.000% *  0.0978% (0.98   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 772 (2.90, 2.90, 37.49 ppm):
    1 diagonal assignment:
    *     HB2   ASN   69 - HB2   ASN   69  (1.00)  kept
 
    Peak 773 (2.81, 2.90, 37.49 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 59.6:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.998% * 99.7714% (1.00  10.0 10.00   3.97  59.58) = 100.000%  kept
          HB2   PHE   72 - HB2   ASN   69  10.92 +/- 0.55   0.002% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  16.94 +/- 0.92   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  24.45 +/- 1.65   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 = 3.0, residual support = 59.6:
    * O T HA    ASN   69 - HB3   ASN   69   2.61 +/- 0.21  99.997% * 99.8126% (1.00  10.0 10.00   3.00  59.58) = 100.000%  kept
          HA    VAL   43 - HB3   ASN   69  15.56 +/- 0.63   0.003% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB3   ASN   69  23.10 +/- 0.99   0.000% *  0.0978% (0.98   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 775 (2.90, 2.81, 37.49 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 59.6:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  99.994% * 99.7955% (1.00  10.0 10.00   3.97  59.58) = 100.000%  kept
          QE    LYS+  66 - HB3   ASN   69  10.59 +/- 1.60   0.004% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  12.61 +/- 2.45   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  24.87 +/- 0.69   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  29.36 +/- 0.54   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 = 81.5:
    * O T HB    VAL   70 - HA    VAL   70   2.92 +/- 0.22  98.965% * 97.2460% (1.00  10.0 10.00   4.31  81.45) = 100.000%  kept
        T QG    GLN   17 - HA    VAL   70  11.65 +/- 1.35   0.031% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    SER   48   7.73 +/- 2.16   0.706% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   SER   82  10.67 +/- 1.37   0.063% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    VAL   70  10.77 +/- 1.64   0.073% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    VAL   70  11.80 +/- 0.93   0.028% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    VAL   70  10.44 +/- 0.88   0.061% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HA    SER   48  17.64 +/- 2.40   0.004% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  10.69 +/- 1.29   0.053% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB2   SER   82  22.45 +/- 1.51   0.001% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  14.99 +/- 1.41   0.006% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB2   SER   82  24.59 +/- 1.01   0.000% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HA    SER   48  23.37 +/- 1.22   0.000% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  20.24 +/- 0.86   0.001% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  18.56 +/- 2.19   0.002% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  17.53 +/- 1.35   0.002% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  21.04 +/- 0.50   0.001% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  24.04 +/- 1.24   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  26.67 +/- 1.27   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  30.57 +/- 1.27   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  32.35 +/- 0.85   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 0.998, support = 4.91, residual support = 80.3:
    * O T QG1   VAL   70 - HA    VAL   70   2.51 +/- 0.33  89.845% * 80.3555% (1.00  10.0 10.00   4.92  81.45) =  97.699%  kept
          QD1   LEU   71 - HA    VAL   70   5.25 +/- 1.14   9.867% * 17.2299% (0.92   1.0  1.00   4.65  32.99) =   2.301%  kept
        T QG1   VAL   18 - HA    VAL   70   9.48 +/- 0.92   0.040% *  0.7876% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   70  10.77 +/- 3.40   0.095% *  0.0742% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    VAL   70   8.80 +/- 1.53   0.123% *  0.0455% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HA    SER   48  12.08 +/- 1.22   0.009% *  0.1794% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HB2   SER   82  15.74 +/- 1.20   0.002% *  0.3817% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   70  11.06 +/- 1.01   0.016% *  0.0487% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HB2   SER   82  21.06 +/- 1.30   0.000% *  0.3894% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HA    SER   48  20.34 +/- 1.33   0.000% *  0.1831% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   SER   82  16.55 +/- 1.56   0.001% *  0.0359% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  123 - HA    SER   48  21.93 +/- 1.69   0.000% *  0.1690% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  19.04 +/- 1.25   0.000% *  0.0169% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  23.66 +/- 1.54   0.000% *  0.0236% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  26.12 +/- 2.20   0.000% *  0.0359% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    SER   48  20.44 +/- 1.87   0.000% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  24.97 +/- 1.96   0.000% *  0.0220% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  26.42 +/- 1.28   0.000% *  0.0111% (0.14   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 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 81.5:
    * O T QG2   VAL   70 - HA    VAL   70   2.38 +/- 0.17  99.999% * 99.2926% (0.80  10.0 10.00   4.00  81.45) = 100.000%  kept
        T QG2   VAL   70 - HB2   SER   82  18.88 +/- 0.90   0.000% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   70 - HA    SER   48  18.57 +/- 0.67   0.000% *  0.2262% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (4.01, 2.20, 34.17 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 81.5:
    * O T HA    VAL   70 - HB    VAL   70   2.92 +/- 0.22  88.060% * 98.3567% (1.00  10.0 10.00   4.31  81.45) =  99.999%  kept
          HA    VAL   18 - QG    GLN   17   5.00 +/- 0.63   5.010% *  0.0125% (0.13   1.0  1.00   0.02  50.10) =   0.001%
          HA1   GLY   16 - QG    GLN   17   4.63 +/- 0.25   6.236% *  0.0036% (0.04   1.0  1.00   0.02  16.48) =   0.000%
          HA    VAL   18 - HB    VAL   70   8.94 +/- 0.85   0.140% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB    VAL   70   8.60 +/- 1.91   0.432% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - QG    GLN   17  11.65 +/- 1.35   0.028% *  0.1827% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    VAL   70  10.70 +/- 0.77   0.044% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   70  13.32 +/- 2.69   0.020% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   70  14.42 +/- 1.13   0.007% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HB    VAL   70  24.59 +/- 1.01   0.000% *  0.5966% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  17.64 +/- 2.40   0.003% *  0.0456% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   70  17.87 +/- 0.97   0.002% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HB    VAL   70  23.37 +/- 1.22   0.000% *  0.2453% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  15.76 +/- 1.69   0.005% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  14.75 +/- 1.74   0.007% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  16.86 +/- 1.57   0.003% *  0.0183% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG    GLN   17  22.45 +/- 1.51   0.000% *  0.1108% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  16.96 +/- 1.54   0.003% *  0.0133% (0.13   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 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 = 5.32, residual support = 81.5:
    * O T QG1   VAL   70 - HB    VAL   70   2.13 +/- 0.01  97.257% * 99.3444% (1.00  10.0 10.00   5.32  81.45) =  99.998%  kept
          HB3   LEU   63 - HB    VAL   70   6.18 +/- 1.66   1.942% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB    VAL   70   9.02 +/- 3.12   0.224% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB    VAL   70   6.65 +/- 0.88   0.185% *  0.0917% (0.92   1.0  1.00   0.02  32.99) =   0.000%
        T QG1   VAL   70 - QG    GLN   17   9.81 +/- 1.63   0.033% *  0.1845% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG    GLN   17   5.72 +/- 0.36   0.281% *  0.0181% (0.18   1.0  1.00   0.02  50.10) =   0.000%
          QG1   VAL   18 - HB    VAL   70   8.46 +/- 1.07   0.034% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG    GLN   17   9.21 +/- 1.63   0.029% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   70  11.66 +/- 0.93   0.004% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  10.48 +/- 0.99   0.008% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  13.38 +/- 1.74   0.002% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  19.86 +/- 1.32   0.000% *  0.0112% (0.11   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 784 (0.19, 2.20, 34.17 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 81.5:
    * O T QG2   VAL   70 - HB    VAL   70   2.12 +/- 0.02  99.982% * 99.8146% (0.80  10.0 10.00   4.31  81.45) = 100.000%  kept
        T QG2   VAL   70 - QG    GLN   17   9.38 +/- 1.06   0.018% *  0.1854% (0.15   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 785 (4.01, 0.86, 24.07 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.92, residual support = 81.4:
    * O T HA    VAL   70 - QG1   VAL   70   2.51 +/- 0.33  96.510% * 98.1637% (1.00  10.0 10.00   4.92  81.45) =  99.997%  kept
        T HA    VAL   18 - QG1   VAL   70   8.73 +/- 1.35   0.330% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - QG1   VAL   70   8.23 +/- 2.06   3.071% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG1   VAL   70  10.87 +/- 2.28   0.027% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG1   VAL   70   8.98 +/- 0.87   0.050% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   70  12.41 +/- 0.98   0.008% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   70  21.06 +/- 1.30   0.000% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   70  15.52 +/- 0.82   0.002% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   70  20.34 +/- 1.33   0.001% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.03 A, kept.
 
    Peak 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.32, residual support = 81.5:
    * O T HB    VAL   70 - QG1   VAL   70   2.13 +/- 0.01  99.934% * 98.7774% (1.00  10.0 10.00   5.32  81.45) = 100.000%  kept
        T QG    GLN   17 - QG1   VAL   70   9.81 +/- 1.63   0.033% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QG1   VAL   70  10.08 +/- 0.94   0.012% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG1   VAL   70  10.47 +/- 1.78   0.012% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70  10.54 +/- 1.15   0.009% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  18.49 +/- 1.08   0.000% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  18.03 +/- 0.95   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.92, residual support = 81.5:
    * O T QG2   VAL   70 - QG1   VAL   70   2.05 +/- 0.05 100.000% *100.0000% (0.80  10.0 10.00   4.92  81.45) = 100.000%  kept
    Distance limit 2.55 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 = 81.5:
    * O T HA    VAL   70 - QG2   VAL   70   2.38 +/- 0.17  99.635% * 98.7631% (0.54  10.0 10.00   4.00  81.45) = 100.000%  kept
          HA    VAL   18 - QG2   VAL   70   7.39 +/- 0.72   0.161% *  0.0678% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG2   VAL   70   8.49 +/- 1.60   0.127% *  0.0195% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   70  10.88 +/- 2.25   0.023% *  0.0988% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG2   VAL   70   8.88 +/- 0.57   0.042% *  0.0481% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   70  11.45 +/- 0.82   0.009% *  0.0857% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG2   VAL   70  18.88 +/- 0.90   0.000% *  0.5990% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   70  13.87 +/- 0.67   0.003% *  0.0717% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG2   VAL   70  18.57 +/- 0.67   0.000% *  0.2463% (0.13   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (2.20, 0.19, 22.28 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 4.31, residual support = 81.5:
    * O T HB    VAL   70 - QG2   VAL   70   2.12 +/- 0.02  99.926% * 98.7774% (0.54  10.0 10.00   4.31  81.45) = 100.000%  kept
        T QG    GLN   17 - QG2   VAL   70   9.38 +/- 1.06   0.018% *  0.9790% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QG2   VAL   70   8.11 +/- 0.66   0.036% *  0.0755% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   VAL   70   9.98 +/- 1.23   0.013% *  0.0305% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70  10.61 +/- 0.62   0.007% *  0.0195% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  16.53 +/- 0.64   0.000% *  0.0934% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  15.98 +/- 0.50   0.001% *  0.0246% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 791 (0.86, 0.19, 22.28 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.92, residual support = 81.4:
    * O T QG1   VAL   70 - QG2   VAL   70   2.05 +/- 0.05  97.314% * 99.6017% (0.54  10.0 10.00   4.92  81.45) =  99.998%  kept
          HB3   LEU   63 - QG2   VAL   70   5.34 +/- 1.32   1.199% *  0.0564% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QG2   VAL   70   4.93 +/- 0.53   0.704% *  0.0919% (0.50   1.0  1.00   0.02  32.99) =   0.001%
          QD1   LEU  123 - QG2   VAL   70   7.95 +/- 2.79   0.645% *  0.0919% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QG2   VAL   70   6.68 +/- 0.76   0.109% *  0.0976% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG2   VAL   70   8.23 +/- 0.80   0.029% *  0.0604% (0.33   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 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 = 138.0:
    * O T HB2   LEU   71 - HA    LEU   71   2.97 +/- 0.05  99.533% * 99.5520% (1.00  10.0 10.00   5.31 137.99) = 100.000%  kept
          HB    VAL   41 - HA    LEU   71   8.26 +/- 0.51   0.230% *  0.0340% (0.34   1.0  1.00   0.02   4.48) =   0.000%
          HB3   GLN   17 - HA    LEU   71  10.37 +/- 1.40   0.081% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LEU   71  10.19 +/- 1.01   0.094% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LEU   71  10.75 +/- 0.39   0.046% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   71  14.75 +/- 1.01   0.007% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  14.56 +/- 1.00   0.008% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   71  19.76 +/- 1.53   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (1.20, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 138.0:
    * O T HB3   LEU   71 - HA    LEU   71   2.65 +/- 0.09  99.992% * 99.6783% (1.00  10.0 10.00   4.31 137.99) = 100.000%  kept
          QG2   THR   94 - HA    LEU   71  13.63 +/- 0.82   0.006% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    LEU   71  21.82 +/- 1.88   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  21.91 +/- 1.85   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  19.55 +/- 1.37   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  24.17 +/- 2.59   0.000% *  0.0447% (0.45   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 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 4.03, residual support = 136.2:
    *   T QD1   LEU   71 - HA    LEU   71   3.14 +/- 0.60  91.005% * 81.4298% (1.00 10.00   4.02 137.99) =  98.282%  kept
          QG1   VAL   70 - HA    LEU   71   5.35 +/- 0.62   7.063% * 18.3250% (0.92  1.00   4.88  32.99) =   1.716%  kept
          QG1   VAL   18 - HA    LEU   71   7.03 +/- 0.80   1.404% *  0.0680% (0.84  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    LEU   71   9.60 +/- 1.75   0.453% *  0.0278% (0.34  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU   71  12.98 +/- 2.85   0.057% *  0.0814% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU   71  13.91 +/- 0.84   0.020% *  0.0680% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (0.96, 4.65, 54.05 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 138.0:
    *   T QD2   LEU   71 - HA    LEU   71   1.98 +/- 0.16  96.423% * 99.6055% (1.00 10.00   5.00 137.99) =  99.998%  kept
          QD1   LEU   67 - HA    LEU   71   6.29 +/- 2.10   3.530% *  0.0447% (0.45  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - HA    LEU   71   7.47 +/- 0.48   0.038% *  0.0409% (0.41  1.00   0.02   2.02) =   0.000%
          QG2   ILE  119 - HA    LEU   71  11.88 +/- 2.57   0.005% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    LEU   71  12.49 +/- 0.78   0.002% *  0.0684% (0.69  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LEU   71  13.36 +/- 0.68   0.001% *  0.0976% (0.98  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LEU   71  13.30 +/- 0.56   0.001% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 5.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (4.65, 1.80, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 138.0:
    * O T HA    LEU   71 - HB2   LEU   71   2.97 +/- 0.05  99.384% * 99.9402% (1.00  10.0 10.00   5.31 137.99) = 100.000%  kept
          HA    VAL   43 - HB2   LEU   71   7.09 +/- 0.44   0.585% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB2   LEU   71  11.48 +/- 0.42   0.031% *  0.0375% (0.38   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 799 (1.80, 1.80, 44.15 ppm):
    1 diagonal assignment:
    *     HB2   LEU   71 - HB2   LEU   71  (1.00)  kept
 
    Peak 800 (1.20, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 138.0:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.999% * 99.6783% (1.00  10.0 10.00   4.97 137.99) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  12.51 +/- 0.90   0.001% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  17.75 +/- 1.73   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  22.32 +/- 2.06   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  22.27 +/- 1.80   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  23.80 +/- 2.47   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 138.0:
    * O T QD1   LEU   71 - HB2   LEU   71   2.37 +/- 0.18  99.400% * 99.6081% (1.00  10.0 10.00   4.97 137.99) =  99.999%  kept
          QG1   VAL   70 - HB2   LEU   71   6.07 +/- 0.47   0.444% *  0.0919% (0.92   1.0  1.00   0.02  32.99) =   0.000%
          QG1   VAL   18 - HB2   LEU   71   7.88 +/- 0.88   0.114% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU   71  10.80 +/- 1.78   0.028% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   71  13.82 +/- 3.08   0.007% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU   71  12.19 +/- 0.93   0.006% *  0.0832% (0.84   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 802 (0.96, 1.80, 44.15 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 138.0:
    * O T QD2   LEU   71 - HB2   LEU   71   3.18 +/- 0.06  95.926% * 99.6055% (1.00  10.0 10.00   5.44 137.99) =  99.998%  kept
          QD2   LEU   40 - HB2   LEU   71   6.04 +/- 0.65   2.640% *  0.0409% (0.41   1.0  1.00   0.02   2.02) =   0.001%
          QD1   LEU   67 - HB2   LEU   71   7.81 +/- 1.70   1.262% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LEU   71  11.34 +/- 0.81   0.052% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LEU   71  12.62 +/- 2.78   0.052% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   71  11.46 +/- 0.58   0.046% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   71  12.88 +/- 0.69   0.023% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 803 (4.65, 1.20, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 138.0:
    * O T HA    LEU   71 - HB3   LEU   71   2.65 +/- 0.09  99.836% * 99.9402% (1.00  10.0 10.00   4.31 137.99) = 100.000%  kept
          HA    VAL   43 - HB3   LEU   71   8.18 +/- 0.97   0.151% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB3   LEU   71  11.98 +/- 1.19   0.014% *  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 804 (1.80, 1.20, 44.15 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 138.0:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  99.947% * 99.3538% (1.00  10.0 10.00   4.97 137.99) = 100.000%  kept
          HB    VAL   41 - HB3   LEU   71   6.49 +/- 0.72   0.048% *  0.0339% (0.34   1.0  1.00   0.02   4.48) =   0.000%
        T HG12  ILE  103 - HB3   LEU   71  13.01 +/- 1.20   0.001% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  11.85 +/- 1.13   0.002% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  13.00 +/- 1.22   0.001% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   LEU   71  12.82 +/- 0.28   0.001% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   LEU   71  12.67 +/- 1.44   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  20.39 +/- 1.54   0.000% *  0.0796% (0.80   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 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 = 3.71, residual support = 138.0:
    * O T QD1   LEU   71 - HB3   LEU   71   2.81 +/- 0.44  97.791% * 99.6081% (1.00  10.0 10.00   3.71 137.99) =  99.998%  kept
          QG1   VAL   70 - HB3   LEU   71   5.89 +/- 0.49   1.851% *  0.0919% (0.92   1.0  1.00   0.02  32.99) =   0.002%
          QG1   VAL   18 - HB3   LEU   71   8.34 +/- 1.16   0.263% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB3   LEU   71  13.90 +/- 3.13   0.027% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU   71  11.17 +/- 1.75   0.050% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU   71  12.76 +/- 1.10   0.019% *  0.0832% (0.84   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 807 (0.96, 1.20, 44.15 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 138.0:
    * O T QD2   LEU   71 - HB3   LEU   71   2.47 +/- 0.20  99.229% * 99.6055% (1.00  10.0 10.00   4.44 137.99) = 100.000%  kept
          QD2   LEU   40 - HB3   LEU   71   6.46 +/- 0.80   0.461% *  0.0409% (0.41   1.0  1.00   0.02   2.02) =   0.000%
          QD1   LEU   67 - HB3   LEU   71   7.80 +/- 1.84   0.276% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB3   LEU   71  12.92 +/- 2.74   0.011% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB3   LEU   71  12.21 +/- 0.87   0.009% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB3   LEU   71  12.24 +/- 0.71   0.009% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LEU   71  13.54 +/- 1.07   0.005% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 808 (4.65, 0.86, 26.50 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.02, residual support = 138.0:
    *   T HA    LEU   71 - QD1   LEU   71   3.14 +/- 0.60  98.444% * 99.9402% (1.00 10.00   4.02 137.99) = 100.000%  kept
          HA    VAL   43 - QD1   LEU   71   7.11 +/- 0.99   1.348% *  0.0223% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD1   LEU   71   9.41 +/- 1.41   0.208% *  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 = 138.0:
    * O T HB2   LEU   71 - QD1   LEU   71   2.37 +/- 0.18  99.217% * 99.5520% (1.00  10.0 10.00   4.97 137.99) = 100.000%  kept
          HB    VAL   41 - QD1   LEU   71   5.86 +/- 0.96   0.715% *  0.0340% (0.34   1.0  1.00   0.02   4.48) =   0.000%
          HB3   GLN   17 - QD1   LEU   71  10.51 +/- 1.51   0.020% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD1   LEU   71  11.38 +/- 1.23   0.011% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD1   LEU   71  11.20 +/- 0.89   0.011% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD1   LEU   71  10.77 +/- 1.14   0.015% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU   71  11.45 +/- 1.12   0.010% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD1   LEU   71  17.50 +/- 1.74   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 138.0:
    * O T HB3   LEU   71 - QD1   LEU   71   2.81 +/- 0.44  99.956% * 99.6783% (1.00  10.0 10.00   3.71 137.99) = 100.000%  kept
          QG2   THR   94 - QD1   LEU   71  11.77 +/- 1.03   0.036% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  15.89 +/- 1.81   0.005% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   LEU   71  20.11 +/- 1.80   0.001% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD1   LEU   71  20.15 +/- 1.66   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  21.59 +/- 2.13   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.06 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 = 4.15, residual support = 138.0:
    * O T QD2   LEU   71 - QD1   LEU   71   2.06 +/- 0.05  99.280% * 99.6055% (1.00  10.0 10.00   4.15 137.99) = 100.000%  kept
          QD1   LEU   67 - QD1   LEU   71   7.17 +/- 2.11   0.543% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   LEU   71   6.37 +/- 0.83   0.153% *  0.0409% (0.41   1.0  1.00   0.02   2.02) =   0.000%
          QD1   ILE  103 - QD1   LEU   71  10.65 +/- 0.89   0.006% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD1   LEU   71  11.75 +/- 2.20   0.006% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   LEU   71  11.03 +/- 1.48   0.006% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   LEU   71  10.93 +/- 0.67   0.005% *  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 = 138.0:
    *   T HA    LEU   71 - QD2   LEU   71   1.98 +/- 0.16  99.968% * 99.9402% (1.00 10.00   5.00 137.99) = 100.000%  kept
          HA    VAL   43 - QD2   LEU   71   8.21 +/- 0.54   0.023% *  0.0223% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD2   LEU   71   9.67 +/- 0.64   0.009% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 814 (1.80, 0.96, 23.45 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 138.0:
    * O T HB2   LEU   71 - QD2   LEU   71   3.18 +/- 0.06  98.806% * 99.3538% (1.00  10.0 10.00   5.44 137.99) =  99.999%  kept
          HB    VAL   41 - QD2   LEU   71   7.44 +/- 0.60   0.665% *  0.0339% (0.34   1.0  1.00   0.02   4.48) =   0.000%
          HB3   GLN   17 - QD2   LEU   71   9.36 +/- 1.33   0.250% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU   71  10.23 +/- 0.47   0.094% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU   71   9.95 +/- 0.92   0.130% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  103 - QD2   LEU   71  12.99 +/- 0.99   0.023% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD2   LEU   71  12.65 +/- 1.02   0.028% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU   71  18.17 +/- 1.32   0.003% *  0.0796% (0.80   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 815 (1.20, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 138.0:
    * O T HB3   LEU   71 - QD2   LEU   71   2.47 +/- 0.20  99.991% * 99.2790% (1.00  10.0 10.00   4.44 137.99) = 100.000%  kept
          QG2   THR   94 - QD2   LEU   71  12.69 +/- 0.76   0.007% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD2   LEU   71  22.08 +/- 2.15   0.000% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  17.40 +/- 1.52   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD2   LEU   71  20.18 +/- 1.61   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD2   LEU   71  20.27 +/- 1.55   0.000% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.04 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 138.0:
    * O T QD1   LEU   71 - QD2   LEU   71   2.06 +/- 0.05  99.557% * 99.6081% (1.00  10.0 10.00   4.15 137.99) = 100.000%  kept
          QG1   VAL   70 - QD2   LEU   71   5.67 +/- 0.54   0.319% *  0.0919% (0.92   1.0  1.00   0.02  32.99) =   0.000%
          QG1   VAL   18 - QD2   LEU   71   6.90 +/- 0.69   0.100% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU   71   9.93 +/- 1.65   0.017% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU   71  12.28 +/- 2.44   0.005% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU   71  12.72 +/- 0.82   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 = 90.9:
    * O T HB2   PHE   72 - HA    PHE   72   3.05 +/- 0.02  97.404% * 99.8683% (0.64  10.0 10.00   4.07  90.91) =  99.998%  kept
          HA    ALA   64 - HA    PHE   72   5.79 +/- 0.53   2.561% *  0.0868% (0.55   1.0  1.00   0.02  37.84) =   0.002%
          HB3   ASN   69 - HA    PHE   72  11.47 +/- 0.28   0.035% *  0.0449% (0.29   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.28, 5.27, 56.60 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 4.62, residual support = 90.9:
    * O T HB3   PHE   72 - HA    PHE   72   2.58 +/- 0.13  98.832% * 99.4196% (0.66  10.0 10.00   4.62  90.91) =  99.999%  kept
          HB2   ASP-  44 - HA    PHE   72   5.84 +/- 0.75   1.027% *  0.1084% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - HA    PHE   72   9.58 +/- 1.93   0.095% *  0.1136% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    PHE   72  11.85 +/- 1.92   0.021% *  0.1058% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    PHE   72  11.61 +/- 1.89   0.018% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    PHE   72  18.14 +/- 2.40   0.001% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  13.32 +/- 0.91   0.006% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  18.40 +/- 0.99   0.001% *  0.0918% (0.61   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 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 4.07, residual support = 90.9:
    * O T HA    PHE   72 - HB2   PHE   72   3.05 +/- 0.02 100.000% *100.0000% (0.64  10.0 10.00   4.07  90.91) = 100.000%  kept
    Distance limit 3.86 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 = 4.25, residual support = 90.9:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  99.925% * 99.4196% (0.72  10.0 10.00   4.25  90.91) = 100.000%  kept
          QG    GLU-  15 - HB2   PHE   72   7.51 +/- 1.67   0.040% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   PHE   72   7.27 +/- 0.75   0.024% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   PHE   72   9.57 +/- 1.85   0.010% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   PHE   72  12.71 +/- 1.55   0.001% *  0.0514% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  16.25 +/- 2.20   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  13.79 +/- 1.42   0.001% *  0.0177% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  20.23 +/- 1.09   0.000% *  0.0918% (0.67   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 824 (5.27, 2.28, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 4.62, residual support = 90.9:
    * O T HA    PHE   72 - HB3   PHE   72   2.58 +/- 0.13 100.000% *100.0000% (0.66  10.0 10.00   4.62  90.91) = 100.000%  kept
    Distance limit 3.57 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 = 4.25, residual support = 90.9:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  99.453% * 99.8683% (0.72  10.0 10.00   4.25  90.91) = 100.000%  kept
          HA    ALA   64 - HB3   PHE   72   4.61 +/- 0.74   0.546% *  0.0868% (0.63   1.0  1.00   0.02  37.84) =   0.000%
          HB3   ASN   69 - HB3   PHE   72  12.12 +/- 0.43   0.001% *  0.0449% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 826 (2.28, 2.28, 40.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   72 - HB3   PHE   72  (0.75)  kept
 
    Peak 827 (5.57, 5.57, 52.40 ppm):
    1 diagonal assignment:
    *     HA    LEU   73 - HA    LEU   73  (1.00)  kept
 
    Peak 828 (1.70, 5.57, 52.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 171.5:
    * O T HB2   LEU   73 - HA    LEU   73   2.70 +/- 0.31  99.968% * 99.4108% (1.00  10.0 10.00   5.00 171.48) = 100.000%  kept
          QD    LYS+  99 - HA    LEU   73  14.80 +/- 0.96   0.005% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LEU   73  15.62 +/- 1.29   0.004% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU   73  15.67 +/- 1.59   0.006% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    LEU   73  13.56 +/- 1.03   0.009% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU   73  17.31 +/- 0.99   0.002% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  19.59 +/- 3.20   0.002% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  15.29 +/- 0.88   0.004% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  17.70 +/- 0.94   0.002% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  23.71 +/- 2.32   0.000% *  0.0892% (0.90   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 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.11, residual support = 171.5:
    * O T HB3   LEU   73 - HA    LEU   73   2.64 +/- 0.34  94.513% * 99.1728% (1.00  10.0 10.00   5.11 171.48) =  99.999%  kept
          HB3   LYS+  74 - HA    LEU   73   4.56 +/- 0.35   4.894% *  0.0174% (0.18   1.0  1.00   0.02  40.69) =   0.001%
          HB    VAL   42 - HA    LEU   73   6.90 +/- 0.55   0.456% *  0.0983% (0.99   1.0  1.00   0.02   1.55) =   0.000%
          HG3   LYS+  33 - HA    LEU   73  10.50 +/- 1.39   0.046% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LEU   73  10.69 +/- 1.01   0.032% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   73  12.95 +/- 1.57   0.010% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   73  13.41 +/- 2.33   0.013% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  11.84 +/- 1.04   0.015% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  13.30 +/- 0.41   0.007% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   73  13.68 +/- 1.42   0.007% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   73  16.16 +/- 0.84   0.002% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LEU   73  18.90 +/- 1.30   0.001% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LEU   73  20.89 +/- 1.58   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  19.04 +/- 2.98   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  19.46 +/- 2.33   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 171.5:
    *   T QD1   LEU   73 - HA    LEU   73   3.82 +/- 0.16  96.960% * 98.2281% (1.00 10.00   5.00 171.48) =  99.991%  kept
        T QD1   LEU   63 - HA    LEU   73   9.65 +/- 1.53   0.692% *  0.9823% (1.00 10.00   0.02   0.02) =   0.007%
          QD2   LEU   80 - HA    LEU   73   7.96 +/- 0.96   1.424% *  0.0787% (0.80  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    LEU   73  10.08 +/- 1.69   0.491% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HA    LEU   73  13.94 +/- 0.99   0.048% *  0.5561% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   73  13.48 +/- 1.91   0.073% *  0.0820% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   73  10.10 +/- 0.73   0.313% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.03 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 171.5:
    *   T QD2   LEU   73 - HA    LEU   73   2.12 +/- 0.34  99.747% * 99.4036% (1.00 10.00   6.22 171.48) = 100.000%  kept
          QG1   VAL   43 - HA    LEU   73   6.34 +/- 0.90   0.201% *  0.0276% (0.28  1.00   0.02   8.35) =   0.000%
          HG    LEU   31 - HA    LEU   73   9.71 +/- 1.06   0.017% *  0.0959% (0.97  1.00   0.02   3.24) =   0.000%
          QG1   VAL   41 - HA    LEU   73   8.49 +/- 0.96   0.033% *  0.0446% (0.45  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LEU   73  13.55 +/- 1.01   0.002% *  0.0891% (0.90  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LEU   73  19.68 +/- 1.89   0.000% *  0.3391% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.02 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 171.5:
    * O T HA    LEU   73 - HB2   LEU   73   2.70 +/- 0.31 100.000% *100.0000% (1.00  10.0 10.00   5.00 171.48) = 100.000%  kept
    Distance limit 4.11 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 = 5.11, residual support = 171.5:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  99.834% * 95.5463% (1.00  10.0 10.00   5.11 171.48) = 100.000%  kept
          HB    VAL   42 - HB2   LEU   73   6.75 +/- 0.78   0.043% *  0.0947% (0.99   1.0  1.00   0.02   1.55) =   0.000%
        T HG3   LYS+  33 - HB2   LEU   73  10.22 +/- 1.19   0.004% *  0.9221% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   LEU   73   5.65 +/- 0.48   0.102% *  0.0167% (0.18   1.0  1.00   0.02  40.69) =   0.000%
          QB    LEU   98 - HB2   LEU   73   9.04 +/- 1.25   0.009% *  0.0359% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   LEU   73  14.69 +/- 1.28   0.000% *  0.8820% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   LEU   73  15.15 +/- 1.37   0.000% *  0.9470% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   93 - HB2   LEU   73  13.49 +/- 1.56   0.001% *  0.3586% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   LEU   73  16.91 +/- 1.61   0.000% *  0.9533% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73   9.93 +/- 1.46   0.005% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  11.84 +/- 0.54   0.001% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  14.86 +/- 2.41   0.000% *  0.0618% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   LEU   73  21.21 +/- 1.72   0.000% *  0.0937% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  19.66 +/- 3.33   0.000% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  19.26 +/- 2.64   0.000% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.58, 1.70, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 171.5:
    * O T QD1   LEU   73 - HB2   LEU   73   2.39 +/- 0.30  99.311% * 98.2281% (1.00  10.0 10.00   5.00 171.48) =  99.999%  kept
          QD2   LEU   80 - HB2   LEU   73   6.54 +/- 0.94   0.531% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HB2   LEU   73  10.26 +/- 1.72   0.031% *  0.9823% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   73  13.02 +/- 1.18   0.005% *  0.5561% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   73  10.82 +/- 1.81   0.028% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   73   8.27 +/- 0.68   0.086% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU   73  13.71 +/- 2.33   0.006% *  0.0820% (0.84   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 836 (0.78, 1.70, 46.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 171.5:
    * O T QD2   LEU   73 - HB2   LEU   73   2.86 +/- 0.33  88.284% * 98.6124% (1.00  10.0 10.00   6.22 171.48) =  99.996%  kept
          QG1   VAL   43 - HB2   LEU   73   4.57 +/- 0.82  10.728% *  0.0274% (0.28   1.0  1.00   0.02   8.35) =   0.003%
          QG1   VAL   41 - HB2   LEU   73   7.26 +/- 1.03   0.671% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB2   LEU   73   7.63 +/- 0.83   0.306% *  0.0952% (0.97   1.0  1.00   0.02   3.24) =   0.000%
        T QD1   ILE   56 - HB2   LEU   73  13.94 +/- 1.38   0.010% *  0.8844% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB2   LEU   73  19.43 +/- 2.28   0.001% *  0.3364% (0.34   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 5.11, residual support = 171.5:
    * O T HA    LEU   73 - HB3   LEU   73   2.64 +/- 0.34 100.000% *100.0000% (1.00  10.0 10.00   5.11 171.48) = 100.000%  kept
    Distance limit 3.74 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 = 5.11, residual support = 171.5:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  99.998% * 98.2609% (1.00  10.0 10.00   5.11 171.48) = 100.000%  kept
        T QD    LYS+ 102 - HB3   LEU   73  16.00 +/- 1.05   0.000% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU   73  14.47 +/- 1.77   0.000% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU   73  14.05 +/- 1.10   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU   73  23.56 +/- 2.52   0.000% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  13.96 +/- 1.53   0.001% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  15.56 +/- 1.42   0.000% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  16.68 +/- 1.18   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  14.20 +/- 1.26   0.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  20.24 +/- 3.12   0.000% *  0.0636% (0.65   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 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 = 5.09, residual support = 171.5:
    * O T QD1   LEU   73 - HB3   LEU   73   2.39 +/- 0.19  99.468% * 97.5376% (1.00  10.0 10.00   5.09 171.48) =  99.997%  kept
        T QD2   LEU   80 - HB3   LEU   73   6.64 +/- 0.91   0.360% *  0.7810% (0.80   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   LEU   63 - HB3   LEU   73  10.24 +/- 2.03   0.047% *  0.9754% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   73  13.09 +/- 1.06   0.004% *  0.5522% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   LEU   73  10.76 +/- 2.24   0.032% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   73   8.37 +/- 0.85   0.085% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   73  13.78 +/- 1.95   0.005% *  0.0815% (0.84   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 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.25, residual support = 171.4:
    * O T QD2   LEU   73 - HB3   LEU   73   2.84 +/- 0.38  78.559% * 99.1570% (1.00  10.0 10.00   6.26 171.48) =  99.927%  kept
        T QG1   VAL   43 - HB3   LEU   73   4.74 +/- 1.54  20.457% *  0.2757% (0.28   1.0 10.00   0.02   8.35) =   0.072%
          QG1   VAL   41 - HB3   LEU   73   7.31 +/- 1.17   0.724% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   LEU   73   7.82 +/- 1.01   0.250% *  0.0957% (0.97   1.0  1.00   0.02   3.24) =   0.000%
          QD1   ILE   56 - HB3   LEU   73  13.96 +/- 1.34   0.008% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB3   LEU   73  19.48 +/- 2.43   0.001% *  0.3382% (0.34   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 842 (5.57, 0.58, 26.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 171.5:
    *   T HA    LEU   73 - QD1   LEU   73   3.82 +/- 0.16  99.240% * 98.7705% (1.00 10.00   5.00 171.48) =  99.993%  kept
        T HA    LEU   73 - QD1   LEU   63   9.65 +/- 1.53   0.710% *  0.9877% (1.00 10.00   0.02   0.02) =   0.007%
        T HA    LEU   73 - QD1   LEU  104  13.94 +/- 0.99   0.049% *  0.2418% (0.24 10.00   0.02   0.02) =   0.000%
    Distance limit 4.86 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 = 0.958, support = 4.84, residual support = 164.2:
    * O T HB2   LEU   73 - QD1   LEU   73   2.39 +/- 0.30  37.450% * 92.1124% (1.00  10.0 10.00   5.00 171.48) =  95.273%  kept
        T HB3   LYS+  99 - QD1   LEU  104   2.53 +/- 0.57  31.092% *  3.7371% (0.05   1.0 10.00   1.49  16.68) =   3.209%  kept
          QD    LYS+  99 - QD1   LEU  104   2.69 +/- 0.75  30.431% *  1.8042% (0.23   1.0  1.00   1.73  16.68) =   1.516%  kept
          QG1   ILE   56 - QD1   LEU   63   5.75 +/- 0.66   0.472% *  0.0284% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   63   8.37 +/- 2.47   0.167% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU   63  10.26 +/- 1.72   0.010% *  0.9211% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  104   6.79 +/- 1.19   0.235% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   63  10.01 +/- 1.52   0.018% *  0.0871% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  104   8.05 +/- 0.61   0.049% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   73  10.27 +/- 0.97   0.010% *  0.0850% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   63  11.17 +/- 1.86   0.013% *  0.0559% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   63  12.57 +/- 2.24   0.006% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   63  11.27 +/- 1.40   0.005% *  0.0850% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU  104  13.02 +/- 1.18   0.002% *  0.2255% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   63  12.63 +/- 1.65   0.005% *  0.0889% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   73  11.97 +/- 1.38   0.004% *  0.0871% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  10.30 +/- 1.09   0.010% *  0.0205% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  12.06 +/- 0.84   0.003% *  0.0379% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  12.51 +/- 4.46   0.006% *  0.0146% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  11.88 +/- 1.56   0.004% *  0.0205% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU   73  12.94 +/- 1.30   0.002% *  0.0284% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   73  15.38 +/- 0.83   0.001% *  0.0889% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   73  14.74 +/- 1.18   0.001% *  0.0559% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  17.00 +/- 3.22   0.001% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  15.21 +/- 1.74   0.001% *  0.0379% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   73  20.65 +/- 2.03   0.000% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  14.04 +/- 1.39   0.001% *  0.0070% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  17.99 +/- 2.11   0.000% *  0.0202% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  18.03 +/- 0.76   0.000% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  18.48 +/- 0.98   0.000% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 1.0, support = 5.09, residual support = 171.5:
    * O T HB3   LEU   73 - QD1   LEU   73   2.39 +/- 0.19  92.042% * 96.9771% (1.00  10.0 10.00   5.09 171.48) =  99.995%  kept
          HB    VAL   42 - QD1   LEU   73   5.30 +/- 0.82   1.559% *  0.0961% (0.99   1.0  1.00   0.02   1.55) =   0.002%
          HB    VAL   42 - QD1   LEU   63   6.59 +/- 1.78   1.510% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU   73 - QD1   LEU   63  10.24 +/- 2.03   0.042% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   73   6.63 +/- 0.87   0.323% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU  104   6.92 +/- 1.33   0.938% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU   73   6.28 +/- 1.07   0.528% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU  104   5.44 +/- 0.43   0.837% *  0.0089% (0.09   1.0  1.00   0.02   7.72) =   0.000%
          HG3   LYS+  65 - QD1   LEU   63   8.49 +/- 0.79   0.056% *  0.0961% (0.99   1.0  1.00   0.02   1.48) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   63   9.91 +/- 1.65   0.054% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   73   7.30 +/- 1.02   0.198% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   73   6.81 +/- 0.25   0.188% *  0.0170% (0.18   1.0  1.00   0.02  40.69) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104   9.12 +/- 4.34   0.868% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.46 +/- 0.36   0.109% *  0.0219% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   9.33 +/- 1.71   0.059% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63  10.43 +/- 1.82   0.022% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.55 +/- 0.59   0.297% *  0.0059% (0.06   1.0  1.00   0.02   7.72) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63   8.98 +/- 1.85   0.114% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU  104   8.64 +/- 1.12   0.064% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   73  12.13 +/- 2.16   0.016% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD1   LEU  104  13.09 +/- 1.06   0.004% *  0.2374% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU   63  10.46 +/- 1.83   0.023% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   73  12.71 +/- 1.35   0.006% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.14 +/- 1.03   0.006% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.24 +/- 1.89   0.029% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  10.83 +/- 0.48   0.012% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  11.13 +/- 1.70   0.014% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   73  13.60 +/- 1.07   0.003% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   63  11.07 +/- 1.50   0.017% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   63  15.60 +/- 2.44   0.002% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  13.00 +/- 1.17   0.005% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  11.61 +/- 4.49   0.035% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  16.42 +/- 1.68   0.001% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  14.19 +/- 1.55   0.003% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  16.08 +/- 1.65   0.002% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  13.99 +/- 1.15   0.003% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   73  19.05 +/- 1.48   0.000% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.14 +/- 3.21   0.003% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  15.99 +/- 2.65   0.002% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  17.62 +/- 1.79   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  18.16 +/- 1.25   0.001% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  15.78 +/- 1.02   0.001% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  19.03 +/- 2.28   0.001% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  16.56 +/- 0.95   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  16.94 +/- 1.07   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 845 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
    *     QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
          QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 846 (0.78, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 171.4:
    * O T QD2   LEU   73 - QD1   LEU   73   2.03 +/- 0.06  86.546% * 96.6209% (1.00  10.0 10.00   6.22 171.48) =  99.975%  kept
        T QG1   VAL   41 - QD1   LEU   73   4.32 +/- 1.03   3.885% *  0.4332% (0.45   1.0 10.00   0.02   0.02) =   0.020%
          QG1   VAL   43 - QD1   LEU   73   3.76 +/- 0.99   7.110% *  0.0269% (0.28   1.0  1.00   0.02   8.35) =   0.002%
          HG    LEU   31 - QD1   LEU   73   4.69 +/- 1.02   1.868% *  0.0932% (0.97   1.0  1.00   0.02   3.24) =   0.002%
        T QD2   LEU   73 - QD1   LEU   63   8.50 +/- 1.38   0.029% *  0.9662% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU  104   6.31 +/- 0.86   0.144% *  0.1060% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   63   6.17 +/- 0.75   0.150% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU  104   8.40 +/- 4.07   0.156% *  0.0807% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   63   9.19 +/- 1.60   0.019% *  0.3296% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63  10.05 +/- 1.50   0.009% *  0.4332% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD1   LEU  104  10.51 +/- 0.85   0.005% *  0.2365% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   8.10 +/- 1.63   0.046% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   73  16.01 +/- 2.36   0.001% *  0.3296% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   8.40 +/- 1.05   0.025% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   73  12.91 +/- 1.19   0.002% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU  104  11.76 +/- 1.58   0.005% *  0.0228% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU   63  14.50 +/- 2.13   0.001% *  0.0932% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  13.91 +/- 1.35   0.001% *  0.0212% (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 = 6.22, residual support = 171.5:
    *   T HA    LEU   73 - QD2   LEU   73   2.12 +/- 0.34 100.000% * 99.6602% (1.00 10.00   6.22 171.48) = 100.000%  kept
        T HA    LEU   73 - HG3   LYS+ 121  19.68 +/- 1.89   0.000% *  0.3398% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 171.5:
    * O T HB2   LEU   73 - QD2   LEU   73   2.86 +/- 0.33  99.263% * 98.3218% (1.00  10.0 10.00   6.22 171.48) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.58 +/- 0.80   0.202% *  0.2169% (0.22   1.0 10.00   0.02   2.26) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 121  10.20 +/- 3.00   0.172% *  0.0317% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - QD2   LEU   73  12.57 +/- 0.87   0.017% *  0.3035% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU   73  10.79 +/- 0.88   0.042% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 121  11.02 +/- 3.42   0.116% *  0.0310% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+ 121  12.91 +/- 0.78   0.015% *  0.1035% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU   73  13.03 +/- 1.16   0.016% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD2   LEU   73  11.16 +/- 0.67   0.036% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  12.10 +/- 3.96   0.073% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 121  19.43 +/- 2.28   0.001% *  0.3353% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.92 +/- 1.30   0.008% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  16.14 +/- 3.25   0.007% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.64 +/- 0.73   0.011% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU   73  16.04 +/- 0.89   0.004% *  0.0949% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  16.10 +/- 1.56   0.005% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  15.50 +/- 3.74   0.009% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU   73  20.82 +/- 2.01   0.001% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  19.86 +/- 1.65   0.001% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  19.78 +/- 2.16   0.001% *  0.0203% (0.21   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 849 (1.38, 0.78, 24.39 ppm):
    30 chemical-shift based assignments, quality = 0.933, support = 6.24, residual support = 181.6:
    * O T HB3   LEU   73 - QD2   LEU   73   2.84 +/- 0.38  39.559% * 93.5851% (1.00  10.0 10.00   6.26 171.48) =  92.935%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.61 +/- 0.28  57.109% *  4.9240% (0.05  10.0 10.00   5.98 314.80) =   7.059%  kept
          HB    VAL   42 - QD2   LEU   73   4.83 +/- 0.56   2.017% *  0.0928% (0.99   1.0  1.00   0.02   1.55) =   0.005%
          HG3   LYS+  33 - QD2   LEU   73   6.51 +/- 1.14   0.463% *  0.0903% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD2   LEU   73   5.92 +/- 0.43   0.512% *  0.0164% (0.18   1.0  1.00   0.02  40.69) =   0.000%
          QB    LEU   98 - QD2   LEU   73   7.74 +/- 0.76   0.108% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   73  10.72 +/- 1.89   0.042% *  0.0605% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   73   8.97 +/- 1.05   0.059% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 121  10.67 +/- 3.46   0.044% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   73  11.56 +/- 1.14   0.009% *  0.0928% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   73  13.31 +/- 0.87   0.004% *  0.0864% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - QD2   LEU   73  15.95 +/- 2.09   0.002% *  0.1444% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   73  14.40 +/- 1.18   0.002% *  0.0934% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   73  12.10 +/- 0.37   0.006% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121   9.56 +/- 0.97   0.030% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HG3   LYS+ 121  19.48 +/- 2.43   0.001% *  0.3191% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   73  13.14 +/- 1.23   0.005% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG3   LYS+ 121  13.55 +/- 2.36   0.005% *  0.0316% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  13.24 +/- 3.32   0.008% *  0.0120% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 121  17.00 +/- 4.11   0.002% *  0.0318% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  15.36 +/- 3.11   0.003% *  0.0164% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  14.30 +/- 3.78   0.006% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   73  18.70 +/- 1.29   0.000% *  0.0917% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  15.87 +/- 0.97   0.001% *  0.0313% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  18.60 +/- 2.39   0.001% *  0.0316% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  17.85 +/- 1.79   0.001% *  0.0120% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  23.16 +/- 2.98   0.000% *  0.0308% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  21.11 +/- 2.15   0.000% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  24.82 +/- 2.75   0.000% *  0.0206% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  22.24 +/- 1.66   0.000% *  0.0056% (0.06   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 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 171.5:
    * O T QD1   LEU   73 - QD2   LEU   73   2.03 +/- 0.06  99.617% * 97.3141% (1.00  10.0 10.00   6.22 171.48) =  99.999%  kept
        T QD1   LEU   63 - QD2   LEU   73   8.50 +/- 1.38   0.034% *  0.9731% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HG3   LYS+ 121   8.40 +/- 4.07   0.172% *  0.1879% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HG3   LYS+ 121   9.19 +/- 1.60   0.021% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU   73   7.41 +/- 0.75   0.053% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QD2   LEU   73  10.51 +/- 0.85   0.006% *  0.5509% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU   73   8.52 +/- 1.46   0.034% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121   8.93 +/- 1.74   0.030% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121   9.51 +/- 0.87   0.011% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU   73   8.77 +/- 0.58   0.017% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU   73  12.00 +/- 1.65   0.003% *  0.0813% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG3   LYS+ 121  16.01 +/- 2.36   0.001% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  20.37 +/- 2.12   0.000% *  0.0266% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  20.19 +/- 2.27   0.000% *  0.0058% (0.06   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 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 = 187.6:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.58 +/- 0.17  99.685% * 99.4757% (0.64  10.0 10.00   6.31 187.57) = 100.000%  kept
          QG2   THR   26 - HA    LYS+  74   7.47 +/- 0.89   0.279% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LYS+  74  13.13 +/- 1.89   0.010% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+  74  14.59 +/- 2.04   0.005% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  74  14.50 +/- 0.65   0.004% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+  74  14.34 +/- 1.45   0.004% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+  74  16.86 +/- 1.26   0.002% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  74  13.28 +/- 0.83   0.006% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  13.99 +/- 1.18   0.005% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  18.70 +/- 1.86   0.001% *  0.0466% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 187.6:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.51 +/- 0.39  99.779% * 99.1206% (0.80  10.0 10.00   6.28 187.57) = 100.000%  kept
          HG13  ILE   19 - HA    LYS+  74   8.41 +/- 0.58   0.115% *  0.0915% (0.74   1.0  1.00   0.02   8.27) =   0.000%
          HG    LEU   71 - HA    LYS+  74  11.11 +/- 1.07   0.028% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  74  11.98 +/- 1.08   0.015% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  74  10.32 +/- 1.81   0.041% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    LYS+  74  12.32 +/- 0.58   0.011% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+  74  12.92 +/- 1.11   0.010% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HA    LYS+  74  19.86 +/- 2.54   0.001% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+  74  18.62 +/- 1.09   0.001% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  21.34 +/- 0.83   0.000% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.04 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.784, support = 5.56, residual support = 182.8:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.63 +/- 0.17  71.256% * 92.2595% (0.80  10.0 10.00   5.57 187.57) =  96.950%  kept
          HB    VAL   75 - HA    LYS+  74   4.28 +/- 0.29  28.199% *  7.3319% (0.25   1.0  1.00   5.15  31.08) =   3.049%  kept
          QD2   LEU   71 - HA    LYS+  74   9.71 +/- 0.49   0.215% *  0.0634% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    LYS+  74  10.98 +/- 1.38   0.131% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    LYS+  74  11.89 +/- 0.74   0.063% *  0.0827% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LYS+  74  13.39 +/- 0.77   0.031% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LYS+  74  12.27 +/- 0.75   0.054% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LYS+  74  12.92 +/- 1.77   0.051% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.41 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.6:
    *   T HD2   LYS+  74 - HA    LYS+  74   2.89 +/- 0.49  99.681% * 99.2156% (0.80 10.00   5.91 187.57) = 100.000%  kept
          QB    ALA   57 - HA    LYS+  74   8.99 +/- 1.17   0.205% *  0.0861% (0.69  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  74  10.54 +/- 0.76   0.066% *  0.0483% (0.39  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LYS+  74  13.01 +/- 1.48   0.022% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LYS+  74  12.81 +/- 1.03   0.020% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  74  19.57 +/- 0.65   0.001% *  0.3384% (0.27 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  74  18.00 +/- 1.56   0.002% *  0.0602% (0.49  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LYS+  74  21.85 +/- 2.38   0.002% *  0.0829% (0.67  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  20.48 +/- 2.64   0.001% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.15 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 187.6:
    *   T QE    LYS+  74 - HA    LYS+  74   2.79 +/- 0.40  99.530% * 99.7560% (0.80 10.00   4.93 187.57) = 100.000%  kept
          HB2   PHE   72 - HA    LYS+  74   7.44 +/- 0.41   0.392% *  0.0308% (0.25  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    LYS+  74  10.76 +/- 1.51   0.055% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  74  12.07 +/- 0.59   0.021% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    LYS+  74  17.97 +/- 0.29   0.002% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.17 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 187.6:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.58 +/- 0.17  99.988% * 99.8966% (0.64  10.0 10.00   6.31 187.57) = 100.000%  kept
          HA    THR   94 - HB2   LYS+  74  12.72 +/- 0.87   0.008% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LYS+  74  14.38 +/- 1.35   0.005% *  0.0278% (0.18   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 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 = 187.6:
    * O T HG2   LYS+  74 - HB2   LYS+  74   3.00 +/- 0.04  99.003% * 99.1206% (0.80  10.0 10.00   5.85 187.57) =  99.999%  kept
          HG13  ILE   19 - HB2   LYS+  74   7.26 +/- 1.17   0.860% *  0.0915% (0.74   1.0  1.00   0.02   8.27) =   0.001%
          HG    LEU   71 - HB2   LYS+  74  11.67 +/- 1.15   0.035% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  74  11.27 +/- 1.73   0.056% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  74  12.86 +/- 0.91   0.018% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  74  13.26 +/- 1.47   0.017% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB2   LYS+  74  21.48 +/- 2.52   0.001% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+  74  15.04 +/- 1.12   0.007% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+  74  20.23 +/- 1.29   0.001% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  22.35 +/- 1.11   0.001% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.06 A, kept.
 
    Peak 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 187.6:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.70 +/- 0.10  99.166% * 97.9320% (0.80  10.0 10.00   5.27 187.57) =  99.999%  kept
        T QD1   LEU   67 - HB2   LYS+  74  11.28 +/- 1.77   0.032% *  0.9040% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  74   6.25 +/- 0.40   0.730% *  0.0302% (0.25   1.0  1.00   0.02  31.08) =   0.000%
        T QD2   LEU   40 - HB2   LYS+  74  13.32 +/- 0.83   0.008% *  0.8783% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   LYS+  74   9.89 +/- 0.84   0.048% *  0.0673% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LYS+  74  15.34 +/- 0.76   0.003% *  0.0960% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LYS+  74  14.23 +/- 0.77   0.005% *  0.0554% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  74  13.74 +/- 1.82   0.008% *  0.0368% (0.30   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 862 (1.64, 1.48, 36.69 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 6.31, residual support = 187.6:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.34 +/- 0.43  99.897% * 97.4681% (0.80  10.0 10.00   6.31 187.57) = 100.000%  kept
          QB    ALA   57 - HB2   LYS+  74   9.10 +/- 1.22   0.071% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+  74  12.35 +/- 1.66   0.009% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+  74  12.07 +/- 1.07   0.013% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HB2   LYS+  74  12.71 +/- 1.33   0.008% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HB2   LYS+  74  19.60 +/- 1.69   0.001% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   LYS+  74  23.48 +/- 2.37   0.000% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+  74  20.55 +/- 0.75   0.000% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  21.42 +/- 2.74   0.000% *  0.0552% (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 863 (2.80, 1.48, 36.69 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 187.6:
    *   T QE    LYS+  74 - HB2   LYS+  74   2.95 +/- 0.68  98.795% * 99.7560% (0.80 10.00   4.62 187.57) = 100.000%  kept
          HB2   PHE   72 - HB2   LYS+  74   7.46 +/- 1.11   1.059% *  0.0308% (0.25  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   LYS+  74  10.88 +/- 1.87   0.100% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+  74  12.14 +/- 1.16   0.043% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   LYS+  74  18.44 +/- 0.97   0.003% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 187.6:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.51 +/- 0.39  99.854% * 99.7790% (0.80  10.0 10.00   6.28 187.57) = 100.000%  kept
          HA    THR   94 - HG2   LYS+  74  11.46 +/- 0.87   0.014% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   94 - HG3   LYS+ 111  10.50 +/- 2.01   0.055% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  12.62 +/- 1.42   0.010% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  12.89 +/- 3.20   0.067% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - HG3   LYS+ 111  19.86 +/- 2.54   0.001% *  0.1066% (0.09   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 865 (1.48, 1.24, 25.23 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 187.6:
    * O T HB2   LYS+  74 - HG2   LYS+  74   3.00 +/- 0.04  98.830% * 99.3145% (0.80  10.0 10.00   5.85 187.57) = 100.000%  kept
          QG2   THR   26 - HG2   LYS+  74   8.00 +/- 1.10   0.445% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 111   9.09 +/- 1.55   0.293% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+  74  13.55 +/- 2.83   0.028% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG2   LYS+  74  15.35 +/- 2.46   0.010% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   8.60 +/- 1.62   0.329% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+  74  16.48 +/- 1.27   0.004% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG2   LYS+  74  17.87 +/- 1.48   0.003% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG2   LYS+  74  15.66 +/- 2.01   0.007% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG2   LYS+  74  14.81 +/- 1.60   0.009% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  12.58 +/- 0.91   0.021% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  15.26 +/- 1.05   0.006% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG3   LYS+ 111  21.48 +/- 2.52   0.001% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  20.12 +/- 1.89   0.001% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  15.41 +/- 1.90   0.008% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  22.87 +/- 2.77   0.001% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  22.14 +/- 2.82   0.001% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  22.61 +/- 3.76   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  23.48 +/- 2.29   0.001% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  21.19 +/- 2.60   0.001% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.18 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 = 187.6:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  99.839% * 99.3075% (1.00  10.0 10.00   4.54 187.57) = 100.000%  kept
          HB    VAL   75 - HG2   LYS+  74   5.41 +/- 0.69   0.153% *  0.0307% (0.31   1.0  1.00   0.02  31.08) =   0.000%
          QD1   LEU   67 - HG2   LYS+  74  12.12 +/- 1.78   0.002% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG2   LYS+  74  11.05 +/- 0.73   0.002% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG2   LYS+  74  13.59 +/- 0.97   0.001% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  14.84 +/- 0.86   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  13.64 +/- 0.86   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  13.78 +/- 1.83   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  21.42 +/- 2.74   0.000% *  0.1061% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  14.59 +/- 1.92   0.000% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  12.63 +/- 1.20   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  18.09 +/- 3.40   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  22.08 +/- 2.15   0.000% *  0.0729% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  15.46 +/- 1.82   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  17.35 +/- 2.29   0.000% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  19.58 +/- 3.08   0.000% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 868 (1.64, 1.24, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.939, support = 5.53, residual support = 196.2:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.78 +/- 0.21  55.129% * 89.4618% (1.00  10.0 10.00   5.54 187.57) =  93.251%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.88 +/- 0.16  44.697% *  7.9861% (0.09  10.0 10.00   5.40 315.47) =   6.749%  kept
          QB    ALA   57 - HG2   LYS+  74   8.48 +/- 1.74   0.130% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  13.24 +/- 2.34   0.008% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  14.05 +/- 1.23   0.004% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.06 +/- 1.06   0.016% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  22.44 +/- 2.61   0.000% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  12.34 +/- 1.79   0.010% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.34 +/- 0.91   0.000% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  19.81 +/- 2.58   0.001% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  19.43 +/- 1.56   0.001% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.93 +/- 2.69   0.000% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.70 +/- 2.57   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  15.19 +/- 1.33   0.002% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.74 +/- 2.40   0.000% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.20 +/- 1.16   0.001% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  27.94 +/- 2.46   0.000% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.65 +/- 3.13   0.000% *  0.0047% (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 869 (2.80, 1.24, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.6:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.61 +/- 0.65  99.517% * 99.6238% (1.00  10.0 10.00   4.54 187.57) = 100.000%  kept
          QB    CYS   50 - HG2   LYS+  74   9.69 +/- 1.45   0.097% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG2   LYS+  74   8.77 +/- 1.17   0.314% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+  74  10.77 +/- 1.33   0.057% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - HG3   LYS+ 111  16.75 +/- 2.41   0.004% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG2   LYS+  74  19.59 +/- 1.10   0.001% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+ 111  14.74 +/- 2.11   0.008% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  22.16 +/- 2.65   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  23.24 +/- 3.43   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  26.67 +/- 3.50   0.000% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 187.6:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.63 +/- 0.17  99.894% * 99.8966% (0.80  10.0 10.00   5.57 187.57) = 100.000%  kept
          HA    THR   94 - HG3   LYS+  74  12.83 +/- 0.87   0.057% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+  74  13.65 +/- 1.45   0.050% *  0.0278% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 187.6:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.70 +/- 0.10  99.683% * 98.5261% (0.80  10.0 10.00   5.27 187.57) = 100.000%  kept
          QG2   THR   26 - HG3   LYS+  74   7.95 +/- 1.22   0.285% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HG3   LYS+  74  16.29 +/- 2.42   0.004% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+  74  13.25 +/- 2.73   0.016% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HG3   LYS+  74  16.34 +/- 0.93   0.002% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+  74  17.42 +/- 1.16   0.002% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  74  15.98 +/- 1.99   0.003% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  74  18.57 +/- 1.42   0.001% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  15.81 +/- 1.47   0.003% *  0.0215% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  21.22 +/- 1.85   0.001% *  0.0462% (0.38   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 872 (1.24, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.6:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  99.978% * 99.1206% (1.00  10.0 10.00   4.54 187.57) = 100.000%  kept
          HG13  ILE   19 - HG3   LYS+  74   8.66 +/- 1.39   0.017% *  0.0915% (0.92   1.0  1.00   0.02   8.27) =   0.000%
          HG    LEU   71 - HG3   LYS+  74  13.41 +/- 1.37   0.001% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74  11.02 +/- 1.83   0.003% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  12.84 +/- 1.41   0.001% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  14.32 +/- 0.78   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   LYS+  74  21.42 +/- 2.74   0.000% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  14.96 +/- 1.46   0.000% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  21.79 +/- 1.24   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  24.06 +/- 0.91   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 187.6:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.91 +/- 0.11  99.549% * 99.2156% (1.00  10.0 10.00   4.97 187.57) = 100.000%  kept
          QB    ALA   57 - HG3   LYS+  74   8.51 +/- 1.72   0.391% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+  74  12.83 +/- 2.29   0.026% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  74  12.23 +/- 1.09   0.022% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HG3   LYS+  74  14.17 +/- 1.37   0.010% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+  74  22.09 +/- 0.85   0.001% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  74  20.50 +/- 1.39   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+  74  23.51 +/- 2.46   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  22.35 +/- 2.42   0.001% *  0.0562% (0.57   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 875 (2.80, 0.98, 25.23 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 187.6:
    * O T QE    LYS+  74 - HG3   LYS+  74   3.04 +/- 0.32  99.480% * 99.7560% (1.00  10.0 10.00   4.00 187.57) = 100.000%  kept
          QB    CYS   50 - HG3   LYS+  74   9.74 +/- 1.63   0.211% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+  74   8.99 +/- 0.95   0.242% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+  74  10.93 +/- 1.27   0.066% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+  74  20.01 +/- 0.90   0.002% *  0.0762% (0.76   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 876 (4.94, 1.64, 30.09 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.6:
    *   T HA    LYS+  74 - HD2   LYS+  74   2.89 +/- 0.49  99.936% * 99.6012% (0.80 10.00   5.91 187.57) = 100.000%  kept
          HA    THR   94 - HD2   LYS+  74  11.30 +/- 1.31   0.038% *  0.0754% (0.61  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HD2   LYS+  74  12.79 +/- 1.72   0.023% *  0.0277% (0.22  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - QD    LYS+  38  19.57 +/- 0.65   0.001% *  0.2184% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  27.33 +/- 0.67   0.000% *  0.0607% (0.05 10.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  22.10 +/- 0.86   0.001% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 187.6:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.34 +/- 0.43  99.774% * 98.0482% (0.80  10.0 10.00   6.31 187.57) = 100.000%  kept
        T HG2   LYS+  65 - HD2   LYS+  74  12.36 +/- 2.37   0.011% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+  74   8.71 +/- 1.00   0.061% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.62 +/- 0.87   0.094% *  0.0241% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+  74  14.52 +/- 2.31   0.005% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD2   LYS+  74  19.50 +/- 2.08   0.001% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+  74  16.26 +/- 1.07   0.001% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38   9.88 +/- 0.75   0.033% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  18.15 +/- 3.10   0.001% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+  74  17.06 +/- 1.41   0.001% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+  74  14.04 +/- 1.36   0.004% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+  74  14.79 +/- 1.84   0.003% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  20.55 +/- 0.75   0.000% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+  74  15.13 +/- 1.10   0.003% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  14.86 +/- 0.65   0.003% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  21.02 +/- 0.94   0.000% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  38  17.49 +/- 2.78   0.001% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  15.39 +/- 1.40   0.002% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  23.06 +/- 2.14   0.000% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  22.58 +/- 1.73   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 0.18 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.857, support = 5.52, residual support = 192.5:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.78 +/- 0.21  28.813% * 90.7641% (1.00  10.0 10.00   5.54 187.57) =  84.508%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.36 +/- 0.16  70.601% *  6.7893% (0.07  10.0 10.00   5.40 219.14) =  15.490%  kept
        T HG3   LYS+  99 - QD    LYS+  38   6.62 +/- 1.01   0.288% *  0.1986% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HD2   LYS+  74   8.69 +/- 1.47   0.091% *  0.0838% (0.92   1.0  1.00   0.02   8.27) =   0.000%
          QG2   THR   39 - QD    LYS+  38   6.85 +/- 0.50   0.154% *  0.0121% (0.13   1.0  1.00   0.02  27.76) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   9.79 +/- 1.90   0.030% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  12.24 +/- 1.75   0.006% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.92 +/- 1.03   0.003% *  0.0906% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.72 +/- 1.02   0.009% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  20.71 +/- 1.46   0.000% *  0.9056% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.68 +/- 1.03   0.002% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HD2   LYS+  74  19.81 +/- 2.58   0.000% *  0.3406% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+  74  14.33 +/- 1.51   0.002% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.34 +/- 0.91   0.000% *  0.1990% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  23.44 +/- 1.09   0.000% *  0.3096% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  17.68 +/- 2.03   0.000% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  27.94 +/- 2.46   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.78 +/- 1.32   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  22.68 +/- 1.85   0.000% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.97 +/- 1.16   0.000% *  0.0039% (0.04   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 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.6:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.91 +/- 0.11  96.707% * 99.2094% (1.00  10.0 10.00   4.97 187.57) =  99.999%  kept
          HB    VAL   75 - HD2   LYS+  74   6.26 +/- 1.16   2.721% *  0.0306% (0.31   1.0  1.00   0.02  31.08) =   0.001%
          QD2   LEU   40 - QD    LYS+  38   7.90 +/- 0.84   0.294% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HD2   LYS+  74  11.40 +/- 1.75   0.043% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HD2   LYS+  74  10.95 +/- 0.83   0.038% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD    LYS+  38   9.36 +/- 0.77   0.103% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HD2   LYS+  74  13.52 +/- 0.97   0.011% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HD2   LYS+  74  12.93 +/- 1.81   0.017% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HD2   LYS+  74  15.07 +/- 0.89   0.006% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HD2   LYS+  74  14.07 +/- 0.90   0.009% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    LYS+  38  12.59 +/- 0.97   0.017% *  0.0213% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    LYS+  38  12.82 +/- 1.43   0.017% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  13.18 +/- 1.06   0.013% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - QD    LYS+  38  22.09 +/- 0.85   0.001% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  16.90 +/- 2.72   0.004% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  19.62 +/- 0.73   0.001% *  0.0067% (0.07   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 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 = 187.6:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.28 +/- 0.12  99.856% * 99.4851% (1.00  10.0 10.00   4.97 187.57) = 100.000%  kept
          QB    CYS   50 - HD2   LYS+  74   9.46 +/- 1.93   0.042% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HD2   LYS+  74   8.19 +/- 1.26   0.079% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+  74  11.69 +/- 1.38   0.008% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  11.06 +/- 1.54   0.014% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - QD    LYS+  38  19.34 +/- 0.72   0.000% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HD2   LYS+  74  19.04 +/- 1.13   0.000% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  15.90 +/- 0.54   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  26.22 +/- 1.47   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  28.70 +/- 0.83   0.000% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (4.94, 2.80, 41.81 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 187.6:
    *   T HA    LYS+  74 - QE    LYS+  74   2.79 +/- 0.40  99.841% * 99.8966% (0.80 10.00   4.93 187.57) = 100.000%  kept
          HA    THR   94 - QE    LYS+  74   9.24 +/- 1.08   0.099% *  0.0757% (0.61  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - QE    LYS+  74  10.52 +/- 1.48   0.060% *  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 = 187.6:
    *   T HB2   LYS+  74 - QE    LYS+  74   2.95 +/- 0.68  99.143% * 99.4757% (0.80 10.00   4.62 187.57) =  99.999%  kept
          QG2   THR   26 - QE    LYS+  74   8.36 +/- 0.87   0.453% *  0.0654% (0.53  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  74  12.13 +/- 2.09   0.098% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QE    LYS+  74  11.07 +/- 2.07   0.138% *  0.0557% (0.45  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  74  11.69 +/- 1.48   0.084% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  74  14.58 +/- 1.20   0.015% *  0.1114% (0.90  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  74  14.79 +/- 1.32   0.014% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  74  13.29 +/- 1.67   0.025% *  0.0310% (0.25  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  74  13.47 +/- 0.87   0.021% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  74  16.86 +/- 2.03   0.008% *  0.0466% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.20 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.6:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.61 +/- 0.65  99.129% * 99.1206% (1.00  10.0 10.00   4.54 187.57) =  99.999%  kept
          HG13  ILE   19 - QE    LYS+  74   8.49 +/- 0.99   0.337% *  0.0915% (0.92   1.0  1.00   0.02   8.27) =   0.000%
          QG2   ILE   56 - QE    LYS+  74   7.94 +/- 1.48   0.387% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  74  10.25 +/- 1.42   0.081% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  74  11.99 +/- 0.97   0.026% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QE    LYS+  74  16.75 +/- 2.41   0.004% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  74  12.47 +/- 0.83   0.017% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+  74  12.25 +/- 1.17   0.016% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+  74  18.44 +/- 1.30   0.002% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  21.21 +/- 1.00   0.001% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.02 A, kept.
 
    Peak 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 187.6:
    * O T HG3   LYS+  74 - QE    LYS+  74   3.04 +/- 0.32  94.956% * 99.5285% (1.00  10.0 10.00   4.00 187.57) =  99.998%  kept
          HB    VAL   75 - QE    LYS+  74   5.56 +/- 0.83   4.675% *  0.0307% (0.31   1.0  1.00   0.02  31.08) =   0.002%
          QD1   LEU   67 - QE    LYS+  74  10.23 +/- 1.56   0.122% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QE    LYS+  74  10.20 +/- 0.76   0.082% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QE    LYS+  74  11.08 +/- 1.63   0.084% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QE    LYS+  74  11.97 +/- 0.78   0.033% *  0.0893% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    LYS+  74  13.08 +/- 0.80   0.019% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QE    LYS+  74  12.23 +/- 0.88   0.029% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 187.6:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.28 +/- 0.12  99.550% * 99.2156% (1.00  10.0 10.00   4.97 187.57) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  74   6.15 +/- 1.08   0.418% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QE    LYS+  74  10.94 +/- 1.82   0.013% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  74  10.90 +/- 1.39   0.013% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QE    LYS+  74  13.29 +/- 1.00   0.003% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  74  19.34 +/- 0.72   0.000% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  18.59 +/- 2.24   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  16.24 +/- 1.50   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  18.09 +/- 2.11   0.001% *  0.0562% (0.57   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 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 = 84.5:
    * O T HB    VAL   75 - HA    VAL   75   2.76 +/- 0.29  97.953% * 99.3939% (1.00  10.0 10.00   3.44  84.47) =  99.999%  kept
          HG3   LYS+  74 - HA    VAL   75   5.64 +/- 0.69   2.014% *  0.0307% (0.31   1.0  1.00   0.02  31.08) =   0.001%
        T QD1   ILE  119 - HA    VAL   75  14.32 +/- 1.43   0.007% *  0.4086% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    VAL   75  13.59 +/- 0.87   0.009% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    VAL   75  14.15 +/- 1.47   0.007% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    VAL   75  13.75 +/- 1.11   0.009% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL   75  17.61 +/- 0.75   0.002% *  0.0174% (0.18   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 890 (0.44, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.5:
    * O T QG1   VAL   75 - HA    VAL   75   2.69 +/- 0.15  99.994% * 99.9055% (1.00  10.0 10.00   4.00  84.47) = 100.000%  kept
          QD1   LEU  115 - HA    VAL   75  14.37 +/- 1.64   0.006% *  0.0945% (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 891 (0.13, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.5:
    * O T QG2   VAL   75 - HA    VAL   75   2.45 +/- 0.49  99.977% * 99.9036% (1.00  10.0 10.00   4.00  84.47) = 100.000%  kept
          QG2   VAL   42 - HA    VAL   75  10.66 +/- 0.63   0.023% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.04 A, kept.
 
    Peak 892 (3.71, 1.00, 35.37 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.5:
    * O T HA    VAL   75 - HB    VAL   75   2.76 +/- 0.29  99.971% * 99.7003% (1.00  10.0 10.00   3.44  84.47) = 100.000%  kept
        T HA    ILE  119 - HB    VAL   75  16.35 +/- 2.18   0.004% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HB    VAL   75  15.03 +/- 1.46   0.006% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HB    VAL   75  12.51 +/- 0.77   0.016% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    VAL   75  16.57 +/- 1.32   0.003% *  0.0135% (0.14   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 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 = 84.5:
    * O T QG1   VAL   75 - HB    VAL   75   2.13 +/- 0.02  99.997% * 99.9055% (1.00  10.0 10.00   3.44  84.47) = 100.000%  kept
          QD1   LEU  115 - HB    VAL   75  12.87 +/- 1.70   0.003% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (0.13, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 84.5:
    * O T QG2   VAL   75 - HB    VAL   75   2.13 +/- 0.02  99.979% * 99.0442% (1.00  10.0 10.00   3.31  84.47) = 100.000%  kept
        T QG2   VAL   42 - HB    VAL   75   9.08 +/- 0.81   0.021% *  0.9558% (0.97   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (3.71, 0.44, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.5:
    * O T HA    VAL   75 - QG1   VAL   75   2.69 +/- 0.15  99.962% * 99.6578% (1.00  10.0 10.00   4.00  84.47) = 100.000%  kept
        T HA    ALA   61 - QG1   VAL   75  12.03 +/- 0.60   0.014% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG1   VAL   75  13.33 +/- 1.03   0.009% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  12.90 +/- 1.12   0.011% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG1   VAL   75  14.90 +/- 1.73   0.005% *  0.0175% (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 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.5:
    * O T HB    VAL   75 - QG1   VAL   75   2.13 +/- 0.02  99.853% * 99.7607% (1.00  10.0 10.00   3.44  84.47) = 100.000%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.71 +/- 0.62   0.122% *  0.0308% (0.31   1.0  1.00   0.02  31.08) =   0.000%
          QG2   ILE  103 - QG1   VAL   75  10.08 +/- 1.00   0.011% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QG1   VAL   75  11.09 +/- 0.75   0.005% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   75  11.72 +/- 1.21   0.004% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG1   VAL   75  12.49 +/- 1.21   0.003% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  13.77 +/- 0.80   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 84.5:
    * O T QG2   VAL   75 - QG1   VAL   75   2.07 +/- 0.06  99.982% * 99.9036% (1.00  10.0 10.00   4.00  84.47) = 100.000%  kept
          QG2   VAL   42 - QG1   VAL   75   8.86 +/- 0.58   0.018% *  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 = 84.5:
    * O T HA    VAL   75 - QG2   VAL   75   2.45 +/- 0.49  99.942% * 99.8572% (1.00  10.0 10.00   4.00  84.47) = 100.000%  kept
          HA    ALA   61 - QG2   VAL   75  11.05 +/- 0.93   0.035% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG2   VAL   75  13.42 +/- 0.76   0.009% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG2   VAL   75  13.99 +/- 2.06   0.009% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  14.48 +/- 0.90   0.005% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 84.5:
    * O T HB    VAL   75 - QG2   VAL   75   2.13 +/- 0.02  99.772% * 99.7607% (1.00  10.0 10.00   3.31  84.47) = 100.000%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.16 +/- 0.39   0.185% *  0.0308% (0.31   1.0  1.00   0.02  31.08) =   0.000%
          QD2   LEU   40 - QG2   VAL   75   9.69 +/- 0.70   0.012% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG2   VAL   75   9.49 +/- 0.91   0.015% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG2   VAL   75  11.14 +/- 1.37   0.006% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   75  11.23 +/- 1.58   0.007% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  12.51 +/- 0.85   0.003% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (0.44, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.5:
    * O T QG1   VAL   75 - QG2   VAL   75   2.07 +/- 0.06  99.994% * 99.9055% (1.00  10.0 10.00   4.00  84.47) = 100.000%  kept
          QD1   LEU  115 - QG2   VAL   75  11.32 +/- 1.58   0.006% *  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 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 = 2.86, residual support = 36.1:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.87 +/- 0.15  93.664% * 99.1090% (1.00  10.0 10.00   2.86  36.07) =  99.996%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.28 +/- 0.54   3.074% *  0.0720% (0.73   1.0  1.00   0.02   2.85) =   0.002%
        T QE    LYS+  66 - HA    LEU   67   6.58 +/- 1.12   2.545% *  0.0362% (0.04   1.0 10.00   0.02  11.09) =   0.001%
          HB2   ASN   69 - HA    LEU   67   6.91 +/- 0.86   0.692% *  0.0159% (0.16   1.0  1.00   0.02   2.96) =   0.000%
        T QE    LYS+  33 - HA    LEU   67  13.96 +/- 2.75   0.016% *  0.0362% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    ASP-  76  17.13 +/- 1.35   0.003% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HA    ASP-  76  21.57 +/- 1.36   0.001% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LEU   67  21.76 +/- 1.26   0.001% *  0.1626% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  15.14 +/- 0.68   0.005% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  76  23.90 +/- 0.44   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  25.89 +/- 1.17   0.000% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  22.24 +/- 1.71   0.001% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (2.24, 5.02, 52.40 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 36.1:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.83 +/- 0.18  99.815% * 99.2676% (0.87  10.0 10.00   3.00  36.07) = 100.000%  kept
          HG3   MET   92 - HA    ASP-  76  11.76 +/- 0.73   0.022% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  76  10.36 +/- 1.48   0.083% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    ASP-  76  12.08 +/- 1.18   0.019% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  76  15.55 +/- 0.72   0.004% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  11.45 +/- 1.51   0.035% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  14.14 +/- 1.71   0.009% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    ASP-  76  19.02 +/- 1.01   0.001% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  17.77 +/- 1.58   0.002% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - HA    LEU   67  22.72 +/- 1.02   0.000% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  16.42 +/- 1.61   0.003% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  15.44 +/- 1.20   0.005% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  24.39 +/- 1.38   0.000% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  20.44 +/- 2.00   0.001% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  24.14 +/- 1.81   0.000% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  25.12 +/- 1.16   0.000% *  0.0025% (0.02   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 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.86, residual support = 36.1:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.87 +/- 0.15  97.319% * 99.3094% (1.00  10.0 10.00   2.86  36.07) =  99.999%  kept
        T HA    LEU   67 - QE    LYS+  66   6.58 +/- 1.12   2.661% *  0.0515% (0.05   1.0 10.00   0.02  11.09) =   0.001%
        T HA    LEU   67 - QE    LYS+  33  13.96 +/- 2.75   0.017% *  0.0369% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  33  17.13 +/- 1.35   0.003% *  0.1481% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   67 - HB2   ASP-  76  21.76 +/- 1.26   0.001% *  0.2476% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  66  21.57 +/- 1.36   0.001% *  0.2065% (0.21   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 2.85, residual support = 36.1:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  99.851% * 98.9845% (0.87  10.0 10.00   2.85  36.07) = 100.000%  kept
          HB2   GLU-  29 - QE    LYS+  33   6.57 +/- 1.72   0.132% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66   9.84 +/- 2.09   0.011% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  14.02 +/- 1.10   0.000% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ASP-  76  14.38 +/- 0.84   0.000% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  11.74 +/- 1.51   0.002% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  13.54 +/- 0.95   0.001% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  14.62 +/- 2.70   0.001% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  17.38 +/- 1.42   0.000% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  12.67 +/- 1.84   0.001% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  20.97 +/- 1.09   0.000% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  66  23.49 +/- 1.33   0.000% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  14.56 +/- 1.63   0.000% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  19.87 +/- 1.54   0.000% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  19.90 +/- 2.48   0.000% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  19.09 +/- 2.02   0.000% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  24.79 +/- 1.43   0.000% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  17.62 +/- 1.78   0.000% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  22.32 +/- 2.23   0.000% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  19.99 +/- 2.43   0.000% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  23.89 +/- 1.54   0.000% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  24.83 +/- 1.97   0.000% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  21.32 +/- 1.72   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  24.72 +/- 1.62   0.000% *  0.0032% (0.03   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 910 (5.02, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 36.1:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.83 +/- 0.18 100.000% * 99.7513% (0.87  10.0 10.00   3.00  36.07) = 100.000%  kept
        T HA    LEU   67 - HB3   ASP-  76  22.72 +/- 1.02   0.000% *  0.2487% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (2.90, 2.24, 42.19 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.85, residual support = 36.1:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  98.169% * 99.3726% (0.87  10.0 10.00   2.85  36.07) =  99.999%  kept
          HB2   ASP-  78 - HB3   ASP-  76   4.02 +/- 0.82   1.830% *  0.0722% (0.63   1.0  1.00   0.02   2.85) =   0.001%
        T QE    LYS+  33 - HB3   ASP-  76  17.38 +/- 1.42   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  14.66 +/- 1.26   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HB3   ASP-  76  23.49 +/- 1.33   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  25.48 +/- 0.69   0.000% *  0.0974% (0.85   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 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   2.53 +/- 0.09  99.424% * 99.3000% (1.00  10.0 10.00   3.00  37.79) = 100.000%  kept
          HA    GLU-  79 - HA    THR   77   6.21 +/- 0.16   0.462% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HA    THR   77   8.78 +/- 0.44   0.061% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA    THR   77  10.03 +/- 0.54   0.028% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    THR   77  10.90 +/- 0.55   0.017% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  14.89 +/- 1.27   0.003% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HA    THR   77  17.24 +/- 1.29   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  14.48 +/- 1.13   0.003% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  23.61 +/- 0.51   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  29.57 +/- 3.49   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  24.47 +/- 1.57   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  27.52 +/- 3.06   0.000% *  0.0408% (0.41   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 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   2.41 +/- 0.12  99.902% * 99.7982% (1.00  10.0 10.00   3.00  37.79) = 100.000%  kept
          QB    ALA   88 - HA    THR   77   9.43 +/- 0.68   0.035% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    THR   77   8.72 +/- 0.87   0.062% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  20.75 +/- 2.75   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  23.37 +/- 1.26   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  26.42 +/- 0.84   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.53 +/- 0.09  99.892% * 99.9104% (1.00  10.0 10.00   3.00  37.79) = 100.000%  kept
          HD2   PRO   93 - HB    THR   77   8.82 +/- 1.36   0.102% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB    THR   77  12.67 +/- 0.56   0.007% *  0.0448% (0.45   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 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 = 2.82, residual support = 37.8:
    * O T QG2   THR   77 - HB    THR   77   2.15 +/- 0.01  99.965% * 99.5496% (1.00  10.0 10.00   2.82  37.79) = 100.000%  kept
        T QG2   THR   23 - HB    THR   77  10.66 +/- 0.93   0.008% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB    THR   77   8.73 +/- 0.78   0.027% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB    THR   77  19.43 +/- 2.85   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  24.67 +/- 1.42   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  28.23 +/- 0.88   0.000% *  0.0446% (0.45   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 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   2.41 +/- 0.12  99.341% * 99.9104% (1.00  10.0 10.00   3.00  37.79) = 100.000%  kept
          HD2   PRO   93 - QG2   THR   77   6.23 +/- 0.97   0.634% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - QG2   THR   77   9.71 +/- 0.48   0.025% *  0.0448% (0.45   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 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.82, residual support = 37.8:
    * O T HB    THR   77 - QG2   THR   77   2.15 +/- 0.01  99.759% * 99.3000% (1.00  10.0 10.00   2.82  37.79) = 100.000%  kept
          HA    ASP-  44 - QG2   THR   77   6.93 +/- 0.44   0.098% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   77   7.89 +/- 0.57   0.047% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   77   7.39 +/- 0.12   0.061% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77   9.82 +/- 0.74   0.013% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   77  10.57 +/- 1.13   0.009% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77  10.13 +/- 0.91   0.011% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG2   THR   77  13.64 +/- 1.14   0.002% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  19.33 +/- 0.46   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  25.03 +/- 2.75   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  20.28 +/- 1.35   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  23.18 +/- 2.43   0.000% *  0.0408% (0.41   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 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 = 3.12, residual support = 38.3:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.88 +/- 0.21  98.852% * 99.6931% (1.00  10.0 10.00   3.12  38.34) =  99.999%  kept
          HB2   ASP-  76 - HA    ASP-  78   6.52 +/- 0.64   1.129% *  0.0724% (0.73   1.0  1.00   0.02   2.85) =   0.001%
          HB2   ASP-  86 - HA    ASP-  78  12.61 +/- 0.65   0.016% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  17.63 +/- 0.58   0.002% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  21.38 +/- 1.37   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  78  22.53 +/- 2.11   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  29.82 +/- 0.58   0.000% *  0.0605% (0.61   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 924 (2.78, 4.83, 56.44 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 38.3:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.75 +/- 0.17  99.909% * 99.8720% (1.00  10.0 10.00   2.31  38.34) = 100.000%  kept
          QB    CYS   50 - HA    ASP-  78  10.28 +/- 1.24   0.057% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASP-  78  11.05 +/- 1.04   0.034% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASP-  78  26.79 +/- 2.27   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  25.63 +/- 2.07   0.000% *  0.0154% (0.15   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 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.12, residual support = 38.3:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.88 +/- 0.21  99.525% * 99.8154% (1.00  10.0 10.00   3.12  38.34) = 100.000%  kept
          HA    THR   23 - HB2   ASP-  78   9.20 +/- 0.81   0.127% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - HB2   ASP-  78   8.17 +/- 0.26   0.216% *  0.0486% (0.49   1.0  1.00   0.02   2.52) =   0.000%
          HB    THR   23 - HB2   ASP-  78   9.58 +/- 1.37   0.131% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   ASP-  78  24.29 +/- 1.02   0.000% *  0.0154% (0.15   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 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 = 2.53, residual support = 38.3:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  99.984% * 99.8720% (1.00  10.0 10.00   2.53  38.34) = 100.000%  kept
          QB    CYS   50 - HB2   ASP-  78   8.97 +/- 1.66   0.010% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASP-  78   9.71 +/- 1.12   0.005% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  26.16 +/- 2.39   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  25.57 +/- 2.28   0.000% *  0.0154% (0.15   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 928 (4.83, 2.78, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 38.3:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.75 +/- 0.17  99.689% * 99.8154% (1.00  10.0 10.00   2.31  38.34) = 100.000%  kept
          HA    LEU   80 - HB3   ASP-  78   8.25 +/- 0.46   0.165% *  0.0486% (0.49   1.0  1.00   0.02   2.52) =   0.000%
          HA    THR   23 - HB3   ASP-  78   9.48 +/- 0.64   0.074% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP-  78   9.75 +/- 1.18   0.072% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  24.66 +/- 1.07   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.53, residual support = 38.3:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  99.852% * 99.6931% (1.00  10.0 10.00   2.53  38.34) = 100.000%  kept
          HB2   ASP-  76 - HB3   ASP-  78   5.55 +/- 0.70   0.147% *  0.0724% (0.73   1.0  1.00   0.02   2.85) =   0.000%
          HB2   ASP-  86 - HB3   ASP-  78  14.47 +/- 0.63   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  18.02 +/- 0.74   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  20.98 +/- 1.45   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  78  21.25 +/- 2.23   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  29.50 +/- 0.64   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 = 4.14, residual support = 54.2:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.93 +/- 0.16  99.954% * 98.4729% (1.00  10.0 10.00   4.14  54.20) = 100.000%  kept
          HG3   GLU-  25 - HA    GLU-  79  11.42 +/- 1.08   0.036% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  79  15.62 +/- 1.15   0.005% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  79  16.60 +/- 2.17   0.004% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HA    GLU-  79  26.54 +/- 0.91   0.000% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  79  26.23 +/- 3.87   0.000% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  79  22.77 +/- 1.88   0.001% *  0.0976% (0.99   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 933 (2.38, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.48, residual support = 54.2:
    * O T QG    GLU-  79 - HA    GLU-  79   2.50 +/- 0.23  99.999% * 99.7507% (1.00  10.0 10.00   3.48  54.20) = 100.000%  kept
          QG    GLN   32 - HA    GLU-  79  19.76 +/- 0.77   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  21.65 +/- 1.08   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  22.42 +/- 0.99   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  27.34 +/- 1.65   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  28.14 +/- 1.92   0.000% *  0.0447% (0.45   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 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 54.2:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.93 +/- 0.16  99.631% * 99.4064% (1.00  10.0 10.00   4.14  54.20) = 100.000%  kept
          HB    THR   77 - HB2   GLU-  79   7.71 +/- 0.29   0.326% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  79  12.44 +/- 0.74   0.020% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  79  13.07 +/- 0.49   0.014% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  79  16.13 +/- 1.26   0.004% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  79  17.38 +/- 1.84   0.003% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  79  20.06 +/- 1.06   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  79  23.70 +/- 0.83   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  26.18 +/- 4.07   0.000% *  0.0563% (0.57   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 935 (2.31, 2.31, 31.53 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  79 - HB2   GLU-  79  (1.00)  kept
 
    Peak 936 (2.38, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 54.2:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.25 +/- 0.09  99.999% * 99.7507% (1.00  10.0 10.00   3.30  54.20) = 100.000%  kept
          QG    GLN   32 - HB2   GLU-  79  18.10 +/- 0.92   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  19.75 +/- 1.15   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  20.25 +/- 1.03   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  25.30 +/- 1.54   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  26.18 +/- 1.97   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 = 54.2:
    * O T HA    GLU-  79 - QG    GLU-  79   2.50 +/- 0.23  99.909% * 99.4064% (1.00  10.0 10.00   3.48  54.20) = 100.000%  kept
          HB    THR   77 - QG    GLU-  79   8.63 +/- 0.38   0.073% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  79  12.66 +/- 0.36   0.007% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG    GLU-  79  12.82 +/- 0.64   0.007% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  79  16.09 +/- 1.20   0.002% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  79  17.15 +/- 1.67   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  79  19.15 +/- 0.88   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  21.83 +/- 0.71   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  23.01 +/- 3.90   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 54.2:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.25 +/- 0.09  99.930% * 99.5443% (1.00  10.0 10.00   3.30  54.20) = 100.000%  kept
          HG3   GLU-  25 - QG    GLU-  79   8.25 +/- 1.26   0.068% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QG    GLU-  79  15.38 +/- 0.96   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QG    GLU-  79  16.05 +/- 1.96   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QG    GLU-  79  20.74 +/- 1.66   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  21.57 +/- 0.91   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  21.32 +/- 3.52   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 = 5.56, residual support = 78.3:
    *   T QD1   LEU   80 - HA    LEU   80   2.65 +/- 0.61  99.912% * 98.6414% (0.65 10.00   5.56  78.25) = 100.000%  kept
        T QD2   LEU   98 - HA    LEU   80  12.26 +/- 1.57   0.023% *  0.9864% (0.65 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU   80  10.66 +/- 0.71   0.043% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   80  12.67 +/- 1.05   0.017% *  0.1274% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   80  18.92 +/- 1.83   0.002% *  0.1408% (0.92  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    LEU   80  17.66 +/- 1.82   0.004% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.995, support = 4.94, residual support = 77.9:
    * O   HA    LEU   80 - HB2   LEU   80   2.80 +/- 0.27  86.409% * 93.6099% (1.00  10.0   4.96  78.25) =  99.528%  kept
          HA    THR   23 - HB2   LEU   80   4.80 +/- 0.95   6.096% *  6.1827% (0.80   1.0   1.65   6.02) =   0.464%
          HB    THR   23 - HB2   LEU   80   5.93 +/- 1.83   7.110% *  0.0903% (0.97   1.0   0.02   6.02) =   0.008%
          HA    ASP-  78 - HB2   LEU   80   7.47 +/- 0.61   0.384% *  0.0456% (0.49   1.0   0.02   2.52) =   0.000%
          HA    ASP- 105 - HB2   LEU   80  19.71 +/- 1.42   0.001% *  0.0715% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 4.32, residual support = 78.3:
    * O T QD1   LEU   80 - HB2   LEU   80   2.55 +/- 0.34  99.870% * 97.5236% (0.65  10.0 10.00   4.32  78.25) =  99.999%  kept
        T QD2   LEU   98 - HB2   LEU   80  10.77 +/- 1.56   0.029% *  0.9752% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   41 - HB2   LEU   80  11.12 +/- 0.98   0.022% *  1.2592% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU   80   9.09 +/- 0.60   0.073% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   80  16.82 +/- 1.92   0.002% *  0.1392% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   LEU   80  15.55 +/- 1.87   0.003% *  0.0514% (0.34   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 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.634, support = 5.17, residual support = 70.3:
    *   T HA    LEU   80 - QD1   LEU   80   2.65 +/- 0.61  38.497% * 87.2050% (0.65 10.00   5.56  78.25) =  88.981%  kept
          HA    THR   23 - QD1   LEU   80   2.76 +/- 0.95  47.788% *  7.4487% (0.52  1.00   2.13   6.02) =   9.435%  kept
          HB    THR   23 - QD1   LEU   80   3.73 +/- 1.06  13.024% *  4.5866% (0.62  1.00   1.09   6.02) =   1.583%  kept
          HA    ASP-  78 - QD1   LEU   80   6.66 +/- 0.86   0.615% *  0.0424% (0.31  1.00   0.02   2.52) =   0.001%
        T HA    LEU   80 - QD2   LEU   98  12.26 +/- 1.57   0.008% *  0.4999% (0.37 10.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - QD2   LEU   98   8.48 +/- 0.91   0.046% *  0.0382% (0.28  1.00   0.02   4.90) =   0.000%
          HA    THR   23 - QD2   LEU   98  11.91 +/- 1.32   0.013% *  0.0400% (0.30  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QD2   LEU   98  13.45 +/- 1.46   0.007% *  0.0482% (0.36  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - QD1   LEU   80  17.15 +/- 1.35   0.001% *  0.0666% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QD2   LEU   98  15.96 +/- 1.39   0.001% *  0.0243% (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 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 = 107.4:
    * O T QB    LYS+  81 - HA    LYS+  81   2.37 +/- 0.06  99.901% * 97.5498% (1.00  10.0 10.00   4.97 107.43) = 100.000%  kept
          HB3   GLN   90 - HA    LYS+  81   7.90 +/- 0.62   0.087% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  81  19.80 +/- 1.68   0.000% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  81  12.68 +/- 1.93   0.007% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  81  15.64 +/- 1.48   0.001% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  81  17.44 +/- 2.04   0.001% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  18.62 +/- 1.57   0.000% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  16.52 +/- 1.05   0.001% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  20.05 +/- 0.92   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  81  29.20 +/- 1.80   0.000% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  20.15 +/- 1.80   0.000% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  22.12 +/- 1.64   0.000% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  28.22 +/- 1.02   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  24.11 +/- 1.39   0.000% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  29.76 +/- 1.95   0.000% *  0.0151% (0.15   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 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.14, residual support = 107.4:
    * O T QG    LYS+  81 - HA    LYS+  81   2.43 +/- 0.12  99.996% * 98.1658% (1.00  10.0 10.00   5.14 107.43) = 100.000%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  18.40 +/- 1.75   0.001% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+  81  22.22 +/- 1.14   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  81  14.06 +/- 1.36   0.003% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  22.95 +/- 2.34   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 107.4:
    *   T QD    LYS+  81 - HA    LYS+  81   3.44 +/- 0.67  99.918% * 99.7569% (1.00 10.00   3.44 107.43) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  81  12.73 +/- 1.24   0.079% *  0.0989% (0.99  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    LYS+  81  23.94 +/- 1.43   0.001% *  0.0995% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  81  23.66 +/- 1.04   0.002% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 107.4:
    *   T QE    LYS+  81 - HA    LYS+  81   3.55 +/- 0.61  99.957% * 99.9825% (1.00 10.00   3.44 107.43) = 100.000%  kept
          HB3   TRP   49 - HA    LYS+  81  14.14 +/- 1.88   0.043% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.98 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 = 107.4:
    * O T HA    LYS+  81 - QB    LYS+  81   2.37 +/- 0.06  99.912% * 98.7606% (1.00  10.0 10.00   4.97 107.43) = 100.000%  kept
        T HA    ARG+  54 - HB3   PRO   52   7.86 +/- 0.30   0.079% *  0.0733% (0.07   1.0 10.00   0.02   1.76) =   0.000%
        T HA    ARG+  54 - QB    LYS+  81  19.05 +/- 1.20   0.000% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  12.79 +/- 1.43   0.006% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HB3   PRO   52  17.44 +/- 2.04   0.001% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  14.03 +/- 0.72   0.003% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  21.96 +/- 1.45   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  25.58 +/- 0.79   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  23.42 +/- 0.79   0.000% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  32.05 +/- 2.23   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  27.85 +/- 0.85   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  27.33 +/- 1.89   0.000% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  25.56 +/- 1.22   0.000% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  34.66 +/- 1.37   0.000% *  0.0111% (0.11   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 955 (1.87, 1.87, 32.96 ppm):
    2 diagonal assignments:
    *     QB    LYS+  81 - QB    LYS+  81  (1.00)  kept
          HB3   PRO   52 - HB3   PRO   52  (0.02)  kept
 
    Peak 956 (1.56, 1.87, 32.96 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 107.4:
    * O T QG    LYS+  81 - QB    LYS+  81   2.09 +/- 0.03  99.945% * 97.8497% (1.00  10.0 10.00   5.17 107.43) = 100.000%  kept
        T HG2   LYS+ 106 - QB    LYS+  81  18.46 +/- 1.60   0.000% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52  10.61 +/- 2.26   0.051% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+  81  20.96 +/- 1.09   0.000% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HB3   PRO   52  16.23 +/- 1.97   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 +/- 1.54   0.000% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  14.30 +/- 1.25   0.001% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  14.33 +/- 1.57   0.001% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  22.56 +/- 2.06   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  29.12 +/- 1.93   0.000% *  0.0938% (0.10   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.53 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 = 107.4:
    * O T QD    LYS+  81 - QB    LYS+  81   2.30 +/- 0.13  99.995% * 99.6151% (1.00  10.0 10.00   3.74 107.43) = 100.000%  kept
          HB    VAL   43 - QB    LYS+  81  13.42 +/- 1.03   0.003% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HB3   PRO   52  16.20 +/- 2.24   0.001% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  23.19 +/- 1.27   0.000% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  16.76 +/- 1.08   0.001% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  22.73 +/- 0.95   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  22.06 +/- 1.71   0.000% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  25.96 +/- 1.22   0.000% *  0.0114% (0.11   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 958 (3.11, 1.87, 32.96 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 107.4:
    *     QE    LYS+  81 - QB    LYS+  81   2.39 +/- 0.59  99.916% * 99.8347% (1.00   3.74 107.43) = 100.000%  kept
          HB3   TRP   49 - QB    LYS+  81  13.59 +/- 1.87   0.010% *  0.0934% (0.18   0.02   0.02) =   0.000%
          HB3   TRP   49 - HB3   PRO   52   9.52 +/- 0.52   0.069% *  0.0107% (0.02   0.02   3.48) =   0.000%
          QE    LYS+  81 - HB3   PRO   52  16.01 +/- 2.75   0.005% *  0.0612% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 959 (4.10, 1.56, 25.02 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 5.14, residual support = 107.4:
    * O T HA    LYS+  81 - QG    LYS+  81   2.43 +/- 0.12  99.838% * 98.8267% (1.00  10.0 10.00   5.14 107.43) = 100.000%  kept
          HA    GLU-  36 - HG2   LYS+  33   7.84 +/- 0.37   0.096% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+  33   9.10 +/- 0.64   0.041% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+ 106  18.40 +/- 1.75   0.001% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+  33  22.22 +/- 1.14   0.000% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  10.67 +/- 0.99   0.016% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    LYS+  81  17.45 +/- 1.26   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  14.18 +/- 0.61   0.003% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+  33  24.12 +/- 6.27   0.000% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  25.60 +/- 0.70   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  20.43 +/- 3.06   0.000% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  19.84 +/- 1.02   0.000% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  19.13 +/- 2.47   0.001% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  21.23 +/- 1.51   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  17.51 +/- 1.48   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  23.34 +/- 1.00   0.000% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  20.78 +/- 2.87   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  26.30 +/- 1.89   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  31.37 +/- 2.03   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  23.75 +/- 2.37   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  26.67 +/- 0.83   0.000% *  0.0152% (0.15   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 960 (1.87, 1.56, 25.02 ppm):
    45 chemical-shift based assignments, quality = 0.828, support = 5.27, residual support = 117.5:
    * O T QB    LYS+  81 - QG    LYS+  81   2.09 +/- 0.03  46.404% * 57.8388% (1.00  10.0 10.00   5.17 107.43) =  72.248%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.32 +/- 0.10  25.336% * 26.7248% (0.46  10.0 10.00   5.67 147.86) =  18.226%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.28 +/- 0.12  27.868% * 12.6979% (0.22  10.0 10.00   5.30 135.59) =   9.525%  kept
          HB    ILE  103 - HG2   LYS+ 106   5.89 +/- 1.14   0.156% *  0.0106% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   6.04 +/- 0.89   0.127% *  0.0104% (0.18   1.0  1.00   0.02   0.17) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.29 +/- 0.64   0.084% *  0.0114% (0.20   1.0  1.00   0.02  21.45) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   8.48 +/- 1.06   0.017% *  0.0573% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  15.82 +/- 1.33   0.000% *  0.5771% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  18.60 +/- 0.79   0.000% *  0.5582% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.22 +/- 1.33   0.003% *  0.0157% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  18.69 +/- 1.73   0.000% *  0.2763% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  16.23 +/- 1.97   0.000% *  0.0892% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  12.59 +/- 1.72   0.001% *  0.0144% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  18.46 +/- 1.60   0.000% *  0.1273% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  20.96 +/- 1.09   0.000% *  0.2769% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  18.75 +/- 0.98   0.000% *  0.1228% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  16.65 +/- 2.59   0.000% *  0.0222% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  17.73 +/- 1.62   0.000% *  0.0502% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  15.55 +/- 0.84   0.000% *  0.0217% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  18.89 +/- 1.37   0.000% *  0.0483% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.91 +/- 1.53   0.000% *  0.0420% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  15.22 +/- 1.81   0.000% *  0.0092% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  16.33 +/- 2.34   0.000% *  0.0126% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  17.44 +/- 1.54   0.000% *  0.0196% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.75 +/- 1.72   0.000% *  0.0231% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  13.70 +/- 1.44   0.001% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  21.70 +/- 1.44   0.000% *  0.0519% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.69 +/- 1.81   0.000% *  0.0248% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  19.72 +/- 3.18   0.000% *  0.0102% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.72 +/- 1.29   0.000% *  0.0048% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  19.30 +/- 0.88   0.000% *  0.0072% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  27.14 +/- 1.64   0.000% *  0.0463% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.40 +/- 1.18   0.000% *  0.0110% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  26.67 +/- 0.81   0.000% *  0.0327% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  25.47 +/- 2.47   0.000% *  0.0201% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  17.69 +/- 2.38   0.000% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  29.12 +/- 1.93   0.000% *  0.0427% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  21.96 +/- 1.30   0.000% *  0.0078% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  27.04 +/- 1.34   0.000% *  0.0274% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.82 +/- 2.26   0.000% *  0.0240% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  23.73 +/- 4.76   0.000% *  0.0043% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.43 +/- 1.58   0.000% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.68 +/- 1.98   0.000% *  0.0069% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  27.89 +/- 1.72   0.000% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  24.84 +/- 1.53   0.000% *  0.0037% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (1.56, 1.56, 25.02 ppm):
    3 diagonal assignments:
    *     QG    LYS+  81 - QG    LYS+  81  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.40)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.22)  kept
 
    Peak 962 (1.77, 1.56, 25.02 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 107.4:
    * O T QD    LYS+  81 - QG    LYS+  81   2.05 +/- 0.03  99.977% * 98.8994% (1.00  10.0 10.00   4.00 107.43) = 100.000%  kept
          HB    VAL   43 - HG2   LYS+ 106   9.77 +/- 1.30   0.013% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QG    LYS+  81  12.98 +/- 1.13   0.002% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  11.13 +/- 0.72   0.004% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  13.92 +/- 1.42   0.001% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  15.09 +/- 1.98   0.001% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  19.35 +/- 1.81   0.000% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+  33  22.16 +/- 0.95   0.000% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  15.65 +/- 1.98   0.001% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  23.28 +/- 1.24   0.000% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  21.22 +/- 0.99   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  22.95 +/- 1.84   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 = 4.0, residual support = 107.4:
    * O   QE    LYS+  81 - QG    LYS+  81   2.29 +/- 0.16  99.991% * 99.9005% (1.00  10.0   4.00 107.43) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  12.07 +/- 2.11   0.008% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  19.17 +/- 1.82   0.000% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  22.76 +/- 1.21   0.000% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  22.93 +/- 2.25   0.000% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  29.84 +/- 1.98   0.000% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 107.4:
    *   T HA    LYS+  81 - QD    LYS+  81   3.44 +/- 0.67  99.970% * 99.7133% (1.00 10.00   3.44 107.43) = 100.000%  kept
          HA    ARG+  54 - QD    LYS+  81  17.77 +/- 1.34   0.008% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD    LYS+  81  15.71 +/- 0.70   0.018% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  81  27.11 +/- 0.73   0.001% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  21.89 +/- 1.55   0.002% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  32.36 +/- 2.07   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  27.78 +/- 0.96   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 107.4:
    * O T QB    LYS+  81 - QD    LYS+  81   2.30 +/- 0.13  99.868% * 98.9997% (1.00  10.0 10.00   3.74 107.43) = 100.000%  kept
          HB3   GLN   90 - QD    LYS+  81   8.14 +/- 1.43   0.121% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QD    LYS+  81  16.20 +/- 2.24   0.001% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  81  12.60 +/- 1.84   0.006% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  16.48 +/- 1.46   0.001% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  17.92 +/- 1.55   0.001% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  19.37 +/- 1.63   0.000% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  19.82 +/- 1.70   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  19.97 +/- 0.79   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  17.11 +/- 0.86   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  22.64 +/- 1.72   0.000% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  28.39 +/- 1.69   0.000% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  28.09 +/- 0.95   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  22.58 +/- 1.47   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  28.78 +/- 1.52   0.000% *  0.0153% (0.15   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 966 (1.56, 1.77, 29.62 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 107.4:
    * O T QG    LYS+  81 - QD    LYS+  81   2.05 +/- 0.03  99.998% * 98.1658% (1.00  10.0 10.00   4.00 107.43) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  81  19.35 +/- 1.81   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  81  22.16 +/- 0.95   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  81  13.71 +/- 1.34   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  22.26 +/- 2.34   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 = 107.4:
    * O   QE    LYS+  81 - QD    LYS+  81   2.09 +/- 0.03  99.993% * 99.9825% (1.00  10.0   3.00 107.43) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  11.60 +/- 2.23   0.007% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 107.4:
    *   T HA    LYS+  81 - QE    LYS+  81   3.55 +/- 0.61  99.974% * 99.7133% (1.00 10.00   3.44 107.43) = 100.000%  kept
          HA    ARG+  54 - QE    LYS+  81  17.96 +/- 1.82   0.008% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    LYS+  81  16.21 +/- 0.76   0.015% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  27.64 +/- 0.95   0.001% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  21.84 +/- 2.26   0.002% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  32.58 +/- 2.34   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  28.19 +/- 1.65   0.000% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.07 A, kept.
 
    Peak 973 (3.11, 3.11, 42.12 ppm):
    1 diagonal assignment:
    *     QE    LYS+  81 - QE    LYS+  81  (1.00)  kept
 
    Peak 974 (4.20, 4.20, 61.23 ppm):
    2 diagonal assignments:
    *     HA    SER   82 - HA    SER   82  (1.00)  kept
          HA    GLU-  25 - HA    GLU-  25  (0.20)  kept
 
    Peak 975 (3.99, 4.20, 61.23 ppm):
    20 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 34.9:
    * O T HB2   SER   82 - HA    SER   82   2.79 +/- 0.09  99.060% * 97.1708% (0.95  10.0 10.00   2.96  34.86) =  99.999%  kept
        T HB2   SER   82 - HA    GLU-  25   9.34 +/- 1.36   0.129% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    GLU-  25   6.80 +/- 0.65   0.594% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    SER   82   8.07 +/- 0.24   0.174% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    SER   82  16.31 +/- 1.71   0.003% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  11.58 +/- 0.64   0.021% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    GLU-  25  19.54 +/- 1.79   0.001% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  17.21 +/- 1.29   0.002% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  13.77 +/- 0.80   0.008% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    GLU-  25  19.81 +/- 0.91   0.001% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    SER   82  24.93 +/- 0.82   0.000% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  16.58 +/- 0.84   0.002% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  20.07 +/- 1.23   0.001% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  19.74 +/- 1.45   0.001% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  21.72 +/- 1.12   0.000% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  17.74 +/- 1.19   0.002% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  23.10 +/- 1.33   0.000% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  24.09 +/- 1.74   0.000% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  28.09 +/- 1.71   0.000% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  28.60 +/- 1.45   0.000% *  0.0137% (0.13   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 976 (3.85, 4.20, 61.23 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 34.9:
    * O T HB3   SER   82 - HA    SER   82   2.88 +/- 0.19  99.653% * 98.8194% (1.00  10.0 10.00   2.00  34.86) =  99.999%  kept
        T HB3   SER   82 - HA    GLU-  25   9.17 +/- 1.52   0.196% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HA    SER   82  10.53 +/- 0.22   0.045% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    GLU-  25   9.37 +/- 0.49   0.093% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    SER   82  19.64 +/- 1.24   0.001% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  18.70 +/- 1.25   0.002% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  17.26 +/- 0.84   0.002% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  20.71 +/- 1.63   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  17.58 +/- 0.94   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    GLU-  25  19.48 +/- 2.39   0.002% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  18.08 +/- 1.32   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    GLU-  25  21.97 +/- 1.44   0.001% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  24.11 +/- 1.10   0.000% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  25.80 +/- 1.19   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  27.56 +/- 2.29   0.000% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  24.69 +/- 1.55   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  25.57 +/- 1.80   0.000% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  25.71 +/- 1.28   0.000% *  0.0099% (0.10   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 977 (4.20, 3.99, 61.93 ppm):
    15 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 34.9:
    * O T HA    SER   82 - HB2   SER   82   2.79 +/- 0.09  99.689% * 97.8439% (0.95  10.0 10.00   2.96  34.86) =  99.999%  kept
        T HA    GLU-  25 - HB2   SER   82   9.34 +/- 1.36   0.130% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   82 - HA    SER   48  16.31 +/- 1.71   0.003% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    SER   48   9.94 +/- 1.35   0.147% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    SER   48  19.54 +/- 1.79   0.001% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    VAL   70  19.81 +/- 0.91   0.001% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    VAL   70  13.09 +/- 1.01   0.011% *  0.0128% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  16.30 +/- 2.63   0.005% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  13.20 +/- 0.78   0.010% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    VAL   70  24.93 +/- 0.82   0.000% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  19.39 +/- 1.52   0.001% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    SER   48  20.05 +/- 1.63   0.001% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  20.86 +/- 1.38   0.001% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  19.96 +/- 1.14   0.001% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  27.86 +/- 1.12   0.000% *  0.0272% (0.26   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 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 = 2.34, residual support = 34.9:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  99.436% * 96.7159% (0.95  10.0 10.00   2.34  34.86) = 100.000%  kept
        T HD3   PRO   52 - HA    SER   48   8.52 +/- 1.33   0.019% *  0.3435% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    VAL   70   5.28 +/- 0.85   0.200% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    SER   48   7.68 +/- 1.26   0.329% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    VAL   70   8.79 +/- 1.04   0.008% *  0.2307% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    VAL   70  14.89 +/- 2.72   0.001% *  0.2913% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  13.79 +/- 2.17   0.004% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    SER   48  17.04 +/- 1.62   0.000% *  0.5310% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  12.25 +/- 0.30   0.001% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  11.95 +/- 0.85   0.001% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   SER   82  21.68 +/- 1.53   0.000% *  0.6257% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  13.90 +/- 2.20   0.001% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  16.81 +/- 1.45   0.000% *  0.0548% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  23.30 +/- 1.17   0.000% *  0.3358% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  25.80 +/- 1.32   0.000% *  0.2172% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  22.82 +/- 1.37   0.000% *  0.0808% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  24.24 +/- 1.46   0.000% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  25.92 +/- 2.47   0.000% *  0.0839% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  20.00 +/- 1.40   0.000% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  24.53 +/- 3.07   0.000% *  0.0461% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  22.47 +/- 1.34   0.000% *  0.0301% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  21.87 +/- 1.60   0.000% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  21.18 +/- 1.16   0.000% *  0.0164% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  26.36 +/- 1.16   0.000% *  0.0444% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  25.15 +/- 1.59   0.000% *  0.0299% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  20.56 +/- 1.45   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  28.91 +/- 1.39   0.000% *  0.0365% (0.36   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 980 (4.20, 3.85, 61.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 34.9:
    * O T HA    SER   82 - HB3   SER   82   2.88 +/- 0.19  99.802% * 99.1601% (1.00  10.0 10.00   2.00  34.86) =  99.999%  kept
        T HA    GLU-  25 - HB3   SER   82   9.17 +/- 1.52   0.196% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HA    CYS   53 - HB3   SER   82  20.80 +/- 1.42   0.001% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB3   SER   82  19.31 +/- 1.47   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  27.58 +/- 1.20   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (3.99, 3.85, 61.93 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.34, residual support = 34.9:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  99.996% * 97.6038% (0.95  10.0 10.00   2.34  34.86) = 100.000%  kept
          HA    ALA   88 - HB3   SER   82   9.92 +/- 0.29   0.003% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HB3   SER   82  17.04 +/- 1.62   0.000% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  14.58 +/- 1.49   0.000% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HB3   SER   82  20.72 +/- 1.46   0.000% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  17.57 +/- 1.42   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  23.30 +/- 1.17   0.000% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  20.32 +/- 1.49   0.000% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  20.62 +/- 1.61   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  27.95 +/- 1.92   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 = 87.5:
    * O T HB    VAL   83 - HA    VAL   83   2.88 +/- 0.22  99.974% * 96.5761% (0.90  10.0 10.00   3.97  87.48) = 100.000%  kept
        T HD2   LYS+  74 - HA    VAL   83  14.84 +/- 1.34   0.007% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   57 - HA    VAL   83  17.50 +/- 1.58   0.002% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    VAL   83  21.06 +/- 1.33   0.001% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    VAL   83  24.12 +/- 1.55   0.000% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    VAL   83  14.62 +/- 1.79   0.009% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  16.73 +/- 1.15   0.003% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  17.26 +/- 1.66   0.003% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  23.79 +/- 2.53   0.000% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  25.20 +/- 3.18   0.000% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  28.08 +/- 2.71   0.000% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  28.74 +/- 2.94   0.000% *  0.0213% (0.20   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 985 (0.60, 3.81, 65.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.24, residual support = 87.5:
    * O T QG1   VAL   83 - HA    VAL   83   2.21 +/- 0.16  99.197% * 99.5865% (0.87  10.0 10.00   4.24  87.48) =  99.999%  kept
          QD2   LEU   80 - HA    VAL   83   5.32 +/- 0.70   0.666% *  0.0919% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    VAL   83   6.91 +/- 0.51   0.127% *  0.0286% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    VAL   83  10.55 +/- 0.57   0.009% *  0.0472% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   83  16.47 +/- 1.32   0.001% *  0.1108% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  18.24 +/- 2.46   0.001% *  0.0877% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  17.09 +/- 1.92   0.001% *  0.0472% (0.41   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 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.47, residual support = 87.5:
    * O T QG2   VAL   83 - HA    VAL   83   2.73 +/- 0.27  98.854% * 99.8380% (1.00  10.0 10.00   4.47  87.48) =  99.999%  kept
          QD1   ILE   89 - HA    VAL   83   6.75 +/- 0.87   1.074% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HA    VAL   83   9.58 +/- 1.21   0.072% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 987 (3.81, 1.66, 32.03 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 87.5:
    * O T HA    VAL   83 - HB    VAL   83   2.88 +/- 0.22  99.992% * 97.8171% (0.90  10.0 10.00   3.97  87.48) = 100.000%  kept
        T HA    GLU- 100 - HB    VAL   83  18.28 +/- 1.78   0.002% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB    VAL   83  20.97 +/- 1.58   0.001% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB    VAL   83  16.05 +/- 1.75   0.005% *  0.0439% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB    VAL   83  20.61 +/- 1.10   0.001% *  0.1936% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.777, support = 4.29, residual support = 87.4:
    * O T QG1   VAL   83 - HB    VAL   83   2.12 +/- 0.02  81.723% * 99.3292% (0.78  10.0 10.00   4.30  87.48) =  99.922%  kept
          QD2   LEU   80 - HB    VAL   83   3.34 +/- 1.01  18.081% *  0.3501% (0.72   1.0  1.00   0.08   0.02) =   0.078%
          QG2   ILE   89 - HB    VAL   83   6.08 +/- 0.60   0.183% *  0.0286% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB    VAL   83   9.31 +/- 0.44   0.012% *  0.0471% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   83  16.46 +/- 1.33   0.000% *  0.1105% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  17.06 +/- 2.51   0.001% *  0.0875% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  15.73 +/- 1.80   0.001% *  0.0471% (0.37   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 990 (0.08, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.53, residual support = 87.5:
    * O T QG2   VAL   83 - HB    VAL   83   2.12 +/- 0.02  99.482% * 99.8380% (0.90  10.0 10.00   4.53  87.48) = 100.000%  kept
          QD1   ILE   89 - HB    VAL   83   6.61 +/- 1.21   0.498% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    VAL   83   9.08 +/- 0.99   0.021% *  0.0725% (0.65   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 991 (3.81, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.24, residual support = 87.5:
    * O T HA    VAL   83 - QG1   VAL   83   2.21 +/- 0.16  99.995% * 99.7372% (0.87  10.0 10.00   4.24  87.48) = 100.000%  kept
          HA    GLU- 100 - QG1   VAL   83  14.08 +/- 1.25   0.002% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QG1   VAL   83  14.71 +/- 1.48   0.002% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG1   VAL   83  18.55 +/- 1.38   0.000% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  16.01 +/- 0.79   0.001% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.3, residual support = 87.5:
    * O T HB    VAL   83 - QG1   VAL   83   2.12 +/- 0.02  99.982% * 99.3915% (0.78  10.0 10.00   4.30  87.48) = 100.000%  kept
          HD2   LYS+  74 - QG1   VAL   83  10.86 +/- 1.18   0.007% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG1   VAL   83  12.36 +/- 1.37   0.003% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  13.94 +/- 1.42   0.002% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  12.50 +/- 1.32   0.003% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  16.51 +/- 0.90   0.000% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  13.98 +/- 1.05   0.001% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG1   VAL   83  18.67 +/- 1.41   0.000% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  19.44 +/- 2.13   0.000% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  21.52 +/- 2.77   0.000% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  22.67 +/- 2.50   0.000% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  23.19 +/- 2.72   0.000% *  0.0219% (0.17   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 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 = 4.83, residual support = 87.5:
    * O T QG2   VAL   83 - QG1   VAL   83   2.03 +/- 0.06  99.613% * 99.0399% (0.87  10.0 10.00   4.83  87.48) =  99.998%  kept
        T QD1   ILE   89 - QG1   VAL   83   6.46 +/- 1.04   0.249% *  0.8882% (0.78   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   31 - QG1   VAL   83   6.54 +/- 0.96   0.138% *  0.0719% (0.63   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 995 (3.81, 0.08, 20.84 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.47, residual support = 87.5:
    * O T HA    VAL   83 - QG2   VAL   83   2.73 +/- 0.27  99.974% * 99.7372% (1.00  10.0 10.00   4.47  87.48) = 100.000%  kept
          HB2   CYS   53 - QG2   VAL   83  12.86 +/- 1.51   0.015% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QG2   VAL   83  14.36 +/- 1.66   0.006% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG2   VAL   83  16.77 +/- 1.32   0.003% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG2   VAL   83  16.39 +/- 1.19   0.002% *  0.0197% (0.20   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 996 (1.66, 0.08, 20.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.53, residual support = 87.5:
    * O T HB    VAL   83 - QG2   VAL   83   2.12 +/- 0.02  99.972% * 99.3915% (0.90  10.0 10.00   4.53  87.48) = 100.000%  kept
          HD2   LYS+  74 - QG2   VAL   83   9.85 +/- 1.15   0.013% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  12.20 +/- 1.68   0.004% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG2   VAL   83  12.52 +/- 1.35   0.003% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  11.85 +/- 1.15   0.004% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  13.19 +/- 1.33   0.002% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  16.80 +/- 1.20   0.000% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  17.93 +/- 1.89   0.000% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG2   VAL   83  17.82 +/- 1.25   0.000% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  19.40 +/- 2.86   0.000% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  21.27 +/- 2.12   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  21.80 +/- 2.32   0.000% *  0.0219% (0.20   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 997 (0.60, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.83, residual support = 87.5:
    * O T QG1   VAL   83 - QG2   VAL   83   2.03 +/- 0.06  86.515% * 99.3306% (0.87  10.0 10.00   4.83  87.48) =  99.983%  kept
          QD2   LEU   80 - QG2   VAL   83   3.19 +/- 0.67  12.084% *  0.0917% (0.80   1.0  1.00   0.02   0.02) =   0.013%
        T QG2   ILE   89 - QG2   VAL   83   4.38 +/- 0.72   1.347% *  0.2855% (0.25   1.0 10.00   0.02   0.02) =   0.004%
          QD1   LEU   73 - QG2   VAL   83   7.21 +/- 0.55   0.048% *  0.0471% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QG2   VAL   83  12.76 +/- 1.10   0.002% *  0.1105% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   83  13.33 +/- 2.09   0.002% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - QG2   VAL   83  12.24 +/- 1.70   0.003% *  0.0471% (0.41   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 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 = 3.04, residual support = 18.8:
    * O T QB    ALA   84 - HA    ALA   84   2.12 +/- 0.01  99.431% * 99.1332% (0.93  10.0 10.00   3.04  18.78) = 100.000%  kept
          HB3   LEU   80 - HA    ALA   84   5.83 +/- 1.05   0.555% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   84  12.18 +/- 1.00   0.003% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   84  12.23 +/- 0.78   0.003% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   84  13.43 +/- 1.99   0.002% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  14.39 +/- 1.79   0.001% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  13.13 +/- 0.92   0.002% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  15.87 +/- 1.41   0.001% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  19.70 +/- 1.30   0.000% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  20.08 +/- 2.96   0.000% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  18.17 +/- 2.55   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  16.43 +/- 0.82   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  21.56 +/- 2.74   0.000% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  25.77 +/- 2.08   0.000% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  21.64 +/- 1.86   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  24.80 +/- 1.54   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  25.18 +/- 1.59   0.000% *  0.0180% (0.17   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 1001 (3.68, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 3.04, residual support = 18.8:
    * O T HA    ALA   84 - QB    ALA   84   2.12 +/- 0.01  99.995% * 99.6067% (0.93  10.0 10.00   3.04  18.78) = 100.000%  kept
          HB2   TRP   49 - QB    ALA   84  12.82 +/- 1.45   0.003% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - QB    ALA   84  14.66 +/- 1.93   0.001% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  18.81 +/- 1.57   0.000% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  18.94 +/- 1.63   0.000% *  0.1012% (0.95   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 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   2.33 +/- 0.06  50.837% * 98.0072% (1.00  10.0 10.00   2.28  18.15) =  99.973%  kept
          HA    ALA   88 - HA    SER   85   2.35 +/- 0.12  49.152% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.027%
        T QB    SER   48 - HA    SER   85  14.15 +/- 2.21   0.005% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   85  11.93 +/- 1.08   0.003% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HA    SER   85  17.98 +/- 1.65   0.000% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER   85  21.52 +/- 1.76   0.000% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  16.56 +/- 2.44   0.002% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   85  22.37 +/- 1.58   0.000% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  22.31 +/- 1.63   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  29.05 +/- 0.73   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  28.59 +/- 1.71   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  30.16 +/- 1.06   0.000% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  27.85 +/- 2.59   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.33 +/- 0.06  96.578% * 96.1605% (1.00  10.0 10.00   2.28  18.15) =  99.999%  kept
          HA    ASP-  86 - QB    SER   85   4.21 +/- 0.13   2.942% *  0.0361% (0.38   1.0  1.00   0.02  13.43) =   0.001%
        T HA1   GLY   51 - QB    SER   48   8.24 +/- 0.78   0.061% *  0.1141% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER   48   7.42 +/- 1.30   0.252% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER   85   8.37 +/- 0.51   0.049% *  0.0962% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER   48  14.15 +/- 2.21   0.010% *  0.2345% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   85  15.86 +/- 1.78   0.001% *  0.9426% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   48   8.79 +/- 1.88   0.067% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   85  10.40 +/- 0.36   0.013% *  0.0661% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER  117  14.05 +/- 1.81   0.003% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   85  14.56 +/- 0.44   0.002% *  0.0953% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  19.56 +/- 1.48   0.000% *  0.4681% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  13.13 +/- 0.59   0.003% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   85  23.73 +/- 1.05   0.000% *  0.5832% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  18.52 +/- 2.45   0.001% *  0.0900% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  13.19 +/- 0.99   0.003% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   48  21.65 +/- 1.56   0.000% *  0.2298% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  12.39 +/- 1.26   0.007% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  18.84 +/- 1.47   0.000% *  0.0722% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  22.37 +/- 1.58   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  17.03 +/- 2.04   0.002% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.33 +/- 0.81   0.003% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  26.34 +/- 1.15   0.000% *  0.1422% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.02 +/- 1.18   0.000% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  20.22 +/- 1.45   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  31.40 +/- 3.16   0.000% *  0.0943% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  28.75 +/- 4.91   0.000% *  0.0230% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  27.96 +/- 1.65   0.000% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  30.03 +/- 2.86   0.000% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  23.42 +/- 3.14   0.000% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  22.34 +/- 1.51   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  26.57 +/- 4.22   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  25.57 +/- 1.21   0.000% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  24.73 +/- 1.83   0.000% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  30.74 +/- 3.11   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  28.73 +/- 2.53   0.000% *  0.0061% (0.06   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 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 = 3.46, residual support = 41.6:
    * O T HB2   ASP-  86 - HA    ASP-  86   3.02 +/- 0.07  99.979% * 99.6568% (1.00  10.0 10.00   3.46  41.62) = 100.000%  kept
          HB2   ASN   28 - HA    ASP-  86  14.04 +/- 1.59   0.013% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    ASP-  86  19.46 +/- 2.25   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  19.91 +/- 1.27   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASP-  86  16.16 +/- 0.56   0.004% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  86  26.86 +/- 1.76   0.000% *  0.0920% (0.92   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 1009 (2.44, 4.30, 57.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 41.6:
    * O T HB3   ASP-  86 - HA    ASP-  86   2.61 +/- 0.13  99.970% * 98.9853% (1.00  10.0 10.00   2.00  41.62) = 100.000%  kept
          HG3   MET   96 - HA    ASP-  86  11.58 +/- 1.60   0.017% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    ASP-  86  12.48 +/- 1.11   0.011% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  17.64 +/- 1.60   0.001% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HA    ASP-  86  26.90 +/- 0.99   0.000% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  23.00 +/- 2.68   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  18.54 +/- 1.14   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  24.18 +/- 1.90   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1010 (4.30, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.46, residual support = 41.6:
    * O T HA    ASP-  86 - HB2   ASP-  86   3.02 +/- 0.07  97.502% * 99.5343% (1.00  10.0 10.00   3.46  41.62) =  99.999%  kept
          HA    SER   85 - HB2   ASP-  86   5.64 +/- 0.11   2.345% *  0.0374% (0.38   1.0  1.00   0.02  13.43) =   0.001%
          HB    THR   77 - HB2   ASP-  86   9.89 +/- 0.67   0.088% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ASP-  86  12.26 +/- 0.82   0.025% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  12.23 +/- 2.19   0.034% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ASP-  86  16.21 +/- 2.10   0.005% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   ASP-  86  27.31 +/- 2.03   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  29.77 +/- 3.09   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  31.32 +/- 3.37   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.83, residual support = 41.6:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00  99.988% * 99.6638% (1.00  10.0 10.00   2.83  41.62) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  86   9.53 +/- 1.93   0.008% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   ASP-  86  10.05 +/- 1.23   0.004% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  15.92 +/- 1.38   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  20.98 +/- 2.64   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  16.45 +/- 1.46   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  24.17 +/- 1.07   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  22.32 +/- 1.73   0.000% *  0.0175% (0.18   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 1013 (4.30, 2.44, 40.49 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 41.6:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.61 +/- 0.13  99.274% * 99.5343% (1.00  10.0 10.00   2.00  41.62) = 100.000%  kept
          HA    SER   85 - HB3   ASP-  86   6.06 +/- 0.36   0.685% *  0.0374% (0.38   1.0  1.00   0.02  13.43) =   0.000%
          HB    THR   77 - HB3   ASP-  86  10.88 +/- 0.86   0.022% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   ASP-  86  13.26 +/- 0.68   0.006% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  12.51 +/- 1.68   0.010% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   ASP-  86  16.52 +/- 1.64   0.002% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  27.86 +/- 2.09   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  30.16 +/- 3.29   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  31.58 +/- 3.58   0.000% *  0.0484% (0.49   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 1014 (2.94, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.83, residual support = 41.6:
    * O T HB2   ASP-  86 - HB3   ASP-  86   1.75 +/- 0.00  99.998% * 99.6568% (1.00  10.0 10.00   2.83  41.62) = 100.000%  kept
          HB2   ASN   28 - HB3   ASP-  86  12.05 +/- 1.58   0.001% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  17.62 +/- 2.09   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  17.90 +/- 1.29   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  15.13 +/- 0.85   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  25.02 +/- 1.79   0.000% *  0.0920% (0.92   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 1015 (2.44, 2.44, 40.49 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  86 - HB3   ASP-  86  (1.00)  kept
 
    Peak 1016 (4.34, 4.34, 57.63 ppm):
    1 diagonal assignment:
    *     HA    TRP   87 - HA    TRP   87  (1.00)  kept
 
    Peak 1017 (3.41, 4.34, 57.63 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.0:
    * O T HB2   TRP   87 - HA    TRP   87   2.25 +/- 0.02 100.000% * 99.9010% (1.00  10.0 10.00   4.31  74.03) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  19.01 +/- 1.34   0.000% *  0.0990% (0.99   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 1018 (2.50, 4.34, 57.63 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.0:
    * O T HB3   TRP   87 - HA    TRP   87   2.94 +/- 0.02  99.998% * 99.8563% (1.00  10.0 10.00   4.31  74.03) = 100.000%  kept
          HG2   GLU-  25 - HA    TRP   87  18.22 +/- 1.64   0.002% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    TRP   87  24.11 +/- 1.32   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1019 (4.34, 3.41, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.0:
    * O T HA    TRP   87 - HB2   TRP   87   2.25 +/- 0.02  99.996% * 99.8808% (1.00  10.0 10.00   4.31  74.03) = 100.000%  kept
          HA    LEU  104 - HB2   TRP   87  13.02 +/- 2.17   0.004% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   TRP   87  20.33 +/- 1.40   0.000% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  28.15 +/- 2.04   0.000% *  0.0135% (0.14   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 1020 (3.41, 3.41, 28.05 ppm):
    1 diagonal assignment:
    *     HB2   TRP   87 - HB2   TRP   87  (1.00)  kept
 
    Peak 1021 (2.50, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 74.0:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00 100.000% * 99.8563% (1.00  10.0 10.00   4.00  74.03) = 100.000%  kept
          HG2   GLU-  25 - HB2   TRP   87  18.21 +/- 1.56   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   TRP   87  22.05 +/- 1.31   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.0:
    * O T HA    TRP   87 - HB3   TRP   87   2.94 +/- 0.02  99.989% * 99.3033% (1.00  10.0 10.00   4.31  74.03) = 100.000%  kept
        T HA    PHE   59 - HB3   TRP   87  19.89 +/- 1.27   0.001% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   TRP   87  14.29 +/- 1.93   0.010% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  27.76 +/- 1.92   0.000% *  0.0134% (0.14   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 1023 (3.41, 2.50, 28.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 74.0:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  74.03) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  16.30 +/- 1.28   0.000% *  0.0990% (0.99   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 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 = 2.21, residual support = 11.5:
    * O T QB    ALA   88 - HA    ALA   88   2.14 +/- 0.01  99.942% * 99.6403% (1.00  10.0 10.00   2.21  11.50) = 100.000%  kept
          QG2   THR   77 - HA    ALA   88   7.83 +/- 0.70   0.048% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   88  10.46 +/- 0.90   0.009% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  20.40 +/- 2.57   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  19.03 +/- 1.50   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  23.60 +/- 2.20   0.000% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  27.68 +/- 1.86   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  23.14 +/- 1.24   0.000% *  0.0175% (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 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 11.5:
    * O T HA    ALA   88 - QB    ALA   88   2.14 +/- 0.01  99.469% * 97.3461% (1.00  10.0 10.00   2.21  11.50) =  99.999%  kept
        T HA    SER   48 - QB    ALA   88  14.94 +/- 2.72   0.094% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          QB    SER   85 - QB    ALA   88   5.30 +/- 0.09   0.428% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QB    ALA   88  10.56 +/- 0.33   0.007% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    ALA   88  14.60 +/- 1.79   0.002% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   88  20.01 +/- 1.47   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  19.22 +/- 1.18   0.000% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  19.67 +/- 0.77   0.000% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  22.38 +/- 1.26   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  24.26 +/- 0.82   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  25.62 +/- 0.93   0.000% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1028 (1.31, 1.31, 16.77 ppm):
    1 diagonal assignment:
    *     QB    ALA   88 - QB    ALA   88  (1.00)  kept
 
    Peak 1029 (3.87, 3.87, 59.74 ppm):
    1 diagonal assignment:
    *     HA    ILE   89 - HA    ILE   89  (1.00)  kept
 
    Peak 1030 (1.74, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 216.2:
    * O T HB    ILE   89 - HA    ILE   89   3.00 +/- 0.03  99.818% * 99.6008% (0.80  10.0 10.00   5.44 216.15) = 100.000%  kept
        T HB    VAL   43 - HA    ILE   89  10.68 +/- 1.65   0.078% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    ILE   89  10.18 +/- 1.05   0.085% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    ILE   89  13.39 +/- 1.71   0.017% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  19.97 +/- 2.08   0.001% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  20.13 +/- 2.20   0.001% *  0.0192% (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 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.27, residual support = 216.2:
    * O T QG2   ILE   89 - HA    ILE   89   2.45 +/- 0.17  99.948% * 99.9320% (1.00  10.0 10.00   6.27 216.15) = 100.000%  kept
          QG1   VAL   83 - HA    ILE   89   8.82 +/- 0.63   0.051% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ILE   89  16.63 +/- 1.49   0.001% *  0.0154% (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 1032 (1.22, 3.87, 59.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.88, residual support = 216.2:
    * O T HG12  ILE   89 - HA    ILE   89   2.80 +/- 0.47  99.972% * 99.3078% (1.00  10.0 10.00   5.88 216.15) = 100.000%  kept
          HG2   LYS+  74 - HA    ILE   89  14.06 +/- 1.77   0.017% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   89  16.19 +/- 2.58   0.003% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   89  22.13 +/- 2.05   0.001% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    ILE   89  18.95 +/- 3.64   0.004% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  20.88 +/- 1.82   0.001% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  20.40 +/- 1.78   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  21.43 +/- 1.50   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 216.2:
    * O T HA    ILE   89 - HB    ILE   89   3.00 +/- 0.03  99.705% * 99.2091% (0.80  10.0 10.00   5.44 216.15) = 100.000%  kept
        T HA    ILE   89 - HB    VAL   43  10.68 +/- 1.65   0.078% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    ILE   89   9.56 +/- 0.54   0.102% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  12.80 +/- 0.90   0.018% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  12.92 +/- 1.53   0.019% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  12.82 +/- 1.36   0.021% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    ILE   89  17.24 +/- 1.84   0.004% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  14.74 +/- 1.32   0.008% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  11.67 +/- 0.94   0.033% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  15.83 +/- 0.96   0.005% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  21.90 +/- 0.64   0.001% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  24.62 +/- 0.88   0.000% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  19.89 +/- 2.00   0.002% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  19.02 +/- 1.11   0.002% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  26.54 +/- 1.75   0.000% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  17.80 +/- 1.06   0.002% *  0.0043% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.74, residual support = 216.2:
    * O T QG2   ILE   89 - HB    ILE   89   2.10 +/- 0.01  99.696% * 99.5317% (0.80  10.0 10.00   5.74 216.15) = 100.000%  kept
        T QG2   ILE   89 - HB    VAL   43   7.46 +/- 0.84   0.065% *  0.2174% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    ILE   89   6.88 +/- 0.31   0.084% *  0.0524% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    VAL   43   7.05 +/- 1.23   0.148% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    VAL   43  10.69 +/- 0.96   0.007% *  0.0335% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    ILE   89  16.50 +/- 1.27   0.000% *  0.1536% (0.12   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1036 (1.22, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.2, residual support = 216.2:
    * O T HG12  ILE   89 - HB    ILE   89   2.63 +/- 0.23  99.697% * 98.9436% (0.80  10.0 10.00   5.20 216.15) = 100.000%  kept
        T HG12  ILE   89 - HB    VAL   43   9.37 +/- 1.69   0.075% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    VAL   43   8.74 +/- 0.83   0.112% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    VAL   43  13.85 +/- 0.95   0.005% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   89  12.60 +/- 1.43   0.011% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    ILE   89  17.88 +/- 3.17   0.004% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43   9.95 +/- 0.91   0.048% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  10.43 +/- 0.58   0.029% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   89  21.57 +/- 1.29   0.000% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  20.04 +/- 3.86   0.002% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  12.55 +/- 0.89   0.010% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  18.31 +/- 1.94   0.002% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  19.47 +/- 0.86   0.001% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  19.15 +/- 1.04   0.001% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  19.96 +/- 0.95   0.001% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  18.58 +/- 2.77   0.002% *  0.0067% (0.05   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 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.27, residual support = 216.2:
    * O T HA    ILE   89 - QG2   ILE   89   2.45 +/- 0.17  99.924% * 99.5272% (1.00  10.0 10.00   6.27 216.15) = 100.000%  kept
          HB3   SER   82 - QG2   ILE   89   9.19 +/- 0.33   0.040% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89  10.49 +/- 1.17   0.028% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   ILE   89  13.16 +/- 1.23   0.006% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   ILE   89  18.01 +/- 0.73   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  20.42 +/- 0.84   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  21.48 +/- 1.38   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  15.84 +/- 1.11   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.74, residual support = 216.2:
    * O T HB    ILE   89 - QG2   ILE   89   2.10 +/- 0.01  99.834% * 99.0138% (0.80  10.0 10.00   5.74 216.15) = 100.000%  kept
        T HB    VAL   43 - QG2   ILE   89   7.46 +/- 0.84   0.065% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   ILE   89   7.47 +/- 1.09   0.087% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG2   ILE   89  10.09 +/- 1.64   0.013% *  0.0344% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - QG2   ILE   89  16.25 +/- 0.87   0.000% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QG2   ILE   89  16.45 +/- 1.02   0.000% *  0.1908% (0.15   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 6.2, residual support = 216.2:
    * O T HG12  ILE   89 - QG2   ILE   89   3.03 +/- 0.27  99.609% * 99.3078% (1.00  10.0 10.00   6.20 216.15) = 100.000%  kept
          HG2   LYS+  74 - QG2   ILE   89   9.33 +/- 1.36   0.292% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QG2   ILE   89  13.44 +/- 2.49   0.032% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QG2   ILE   89  14.91 +/- 3.19   0.044% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG2   ILE   89  18.02 +/- 0.86   0.003% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG2   ILE   89  15.87 +/- 1.01   0.006% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  15.53 +/- 1.02   0.007% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  15.75 +/- 1.06   0.007% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.88, residual support = 216.2:
    * O T HA    ILE   89 - HG12  ILE   89   2.80 +/- 0.47  99.641% * 98.5945% (1.00  10.0 10.00   5.88 216.15) =  99.999%  kept
        T HB    THR   39 - HG3   LYS+  99   9.06 +/- 1.39   0.199% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HG12  ILE   89  10.77 +/- 1.70   0.083% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   LYS+  99  11.46 +/- 1.48   0.044% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG12  ILE   89  16.13 +/- 2.02   0.004% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   89 - HG3   LYS+  99  22.13 +/- 2.05   0.001% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  16.05 +/- 2.27   0.006% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  15.30 +/- 2.15   0.009% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  21.50 +/- 1.57   0.001% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   LYS+  99  21.57 +/- 4.33   0.001% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  15.40 +/- 1.79   0.007% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  24.33 +/- 1.82   0.000% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  19.28 +/- 2.07   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  26.94 +/- 2.11   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  23.46 +/- 1.62   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  29.81 +/- 1.26   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1042 (1.74, 1.22, 26.04 ppm):
    12 chemical-shift based assignments, quality = 0.665, support = 5.29, residual support = 207.6:
    * O T HB    ILE   89 - HG12  ILE   89   2.63 +/- 0.23  32.077% * 78.0851% (0.80  10.0 10.00   5.20 216.15) =  80.195%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.84 +/- 0.28  23.379% * 14.8429% (0.15  10.0  1.00   5.07 173.01) =  11.110%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.50 +/- 0.23  44.501% *  6.1021% (0.06  10.0 10.00   6.44 173.01) =   8.694%  kept
        T HB    VAL   43 - HG12  ILE   89   9.37 +/- 1.69   0.026% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.57 +/- 1.58   0.011% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.85 +/- 0.95   0.002% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  13.62 +/- 2.45   0.003% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  18.56 +/- 2.00   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  21.57 +/- 1.29   0.000% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  19.22 +/- 1.26   0.000% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  18.41 +/- 1.92   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  25.88 +/- 1.40   0.000% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 216.1:
    * O T QG2   ILE   89 - HG12  ILE   89   3.03 +/- 0.27  63.458% * 99.5013% (1.00  10.0 10.00   6.20 216.15) =  99.996%  kept
          QD1   LEU  104 - HG3   LYS+  99   3.42 +/- 0.50  35.732% *  0.0062% (0.06   1.0  1.00   0.02  16.68) =   0.004%
          QG1   VAL   83 - HG12  ILE   89   7.49 +/- 1.40   0.800% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   ILE   89 - HG3   LYS+  99  18.02 +/- 0.86   0.002% *  0.4035% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG12  ILE   89  15.46 +/- 1.27   0.005% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+  99  16.19 +/- 1.03   0.003% *  0.0212% (0.21   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 1044 (1.22, 1.22, 26.04 ppm):
    2 diagonal assignments:
    *     HG12  ILE   89 - HG12  ILE   89  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.17)  kept
 
    Peak 1045 (4.46, 4.46, 56.09 ppm):
    1 diagonal assignment:
    *     HA    GLN   90 - HA    GLN   90  (0.96)  kept
 
    Peak 1046 (2.15, 4.46, 56.09 ppm):
    6 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 95.6:
    * O T HB2   GLN   90 - HA    GLN   90   2.52 +/- 0.25  99.983% * 98.5005% (0.78  10.0 10.00   3.96  95.62) = 100.000%  kept
        T HB3   GLU-  79 - HA    GLN   90  11.27 +/- 0.84   0.016% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   90  22.96 +/- 0.96   0.000% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  21.77 +/- 0.79   0.000% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  26.17 +/- 0.89   0.000% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  30.28 +/- 0.75   0.000% *  0.0243% (0.19   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 1047 (1.87, 4.46, 56.09 ppm):
    13 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 95.6:
    * O T HB3   GLN   90 - HA    GLN   90   2.89 +/- 0.23  98.639% * 99.0333% (0.82  10.0 10.00   3.97  95.62) =  99.999%  kept
          QB    LYS+  81 - HA    GLN   90   6.74 +/- 1.13   0.970% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HA    GLN   90   7.80 +/- 0.99   0.364% *  0.0577% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   90  13.31 +/- 1.46   0.014% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   90  17.09 +/- 1.93   0.003% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   90  17.62 +/- 1.93   0.004% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  17.57 +/- 1.53   0.003% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  19.52 +/- 1.18   0.001% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   90  20.24 +/- 1.08   0.001% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  22.64 +/- 1.06   0.001% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  22.42 +/- 1.70   0.001% *  0.0366% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  29.51 +/- 0.80   0.000% *  0.0990% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  29.17 +/- 2.66   0.000% *  0.0624% (0.52   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 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.61, residual support = 95.6:
    * O T QG    GLN   90 - HA    GLN   90   2.58 +/- 0.31  99.920% * 99.3855% (0.88  10.0 10.00   3.61  95.62) = 100.000%  kept
          HG3   MET   92 - HA    GLN   90   8.89 +/- 1.13   0.074% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   90  14.43 +/- 1.22   0.004% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   90  19.81 +/- 1.08   0.001% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  20.86 +/- 1.40   0.001% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  25.29 +/- 2.32   0.000% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  25.62 +/- 2.37   0.000% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  21.34 +/- 0.97   0.000% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  31.78 +/- 2.97   0.000% *  0.0761% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 95.6:
    * O T HA    GLN   90 - HB2   GLN   90   2.52 +/- 0.25  99.977% * 98.8405% (0.78  10.0 10.00   3.96  95.62) = 100.000%  kept
        T HA    GLN   90 - HB3   GLU-  79  11.27 +/- 0.84   0.016% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  17.04 +/- 1.82   0.002% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  19.98 +/- 2.01   0.001% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  16.88 +/- 0.80   0.001% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  21.05 +/- 1.28   0.000% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  19.48 +/- 0.53   0.001% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  21.84 +/- 3.01   0.000% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  17.77 +/- 0.93   0.001% *  0.0156% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  21.65 +/- 0.87   0.000% *  0.0113% (0.09   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 1050 (2.15, 2.15, 31.73 ppm):
    2 diagonal assignments:
    *     HB2   GLN   90 - HB2   GLN   90  (0.64)  kept
          HB3   GLU-  79 - HB3   GLU-  79  (0.55)  kept
 
    Peak 1051 (1.87, 2.15, 31.73 ppm):
    26 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 95.6:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  99.930% * 96.7995% (0.67  10.0 10.00   3.99  95.62) = 100.000%  kept
          QB    LYS+  81 - HB2   GLN   90   7.58 +/- 0.98   0.021% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   GLU-  79   7.02 +/- 0.31   0.025% *  0.0752% (0.52   1.0  1.00   0.02   1.52) =   0.000%
          HB2   MET   92 - HB2   GLN   90   8.43 +/- 1.66   0.022% *  0.0564% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB3   GLU-  79  13.45 +/- 1.04   0.001% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  14.41 +/- 1.30   0.000% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  13.80 +/- 1.11   0.000% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  18.19 +/- 2.38   0.000% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  18.52 +/- 2.27   0.000% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  15.46 +/- 1.06   0.000% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  17.65 +/- 1.36   0.000% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  17.47 +/- 0.97   0.000% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  17.67 +/- 2.03   0.000% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  18.85 +/- 1.75   0.000% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  19.47 +/- 1.49   0.000% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HB2   GLN   90  31.35 +/- 1.04   0.000% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  21.58 +/- 1.14   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  21.67 +/- 1.09   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  21.34 +/- 1.43   0.000% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  24.46 +/- 0.96   0.000% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  23.18 +/- 1.43   0.000% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  21.27 +/- 1.46   0.000% *  0.0259% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  23.76 +/- 1.89   0.000% *  0.0358% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  27.19 +/- 1.01   0.000% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  26.49 +/- 1.69   0.000% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  30.99 +/- 2.66   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 = 3.93, residual support = 95.6:
    * O T QG    GLN   90 - HB2   GLN   90   2.45 +/- 0.12  99.885% * 96.7466% (0.72  10.0 10.00   3.93  95.62) = 100.000%  kept
        T QG    GLN   90 - HB3   GLU-  79  11.63 +/- 1.52   0.016% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLN   90   9.32 +/- 2.06   0.083% *  0.0166% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB3   GLU-  79  13.92 +/- 1.07   0.004% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  79  12.40 +/- 0.52   0.006% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLN   90  16.38 +/- 1.15   0.001% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  79  24.29 +/- 3.86   0.000% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  15.71 +/- 0.59   0.002% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  18.62 +/- 2.04   0.001% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  19.55 +/- 2.40   0.001% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  23.29 +/- 0.94   0.000% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  21.82 +/- 1.05   0.000% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  15.94 +/- 0.88   0.001% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLN   90  33.56 +/- 2.90   0.000% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  22.23 +/- 1.02   0.000% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  22.47 +/- 1.55   0.000% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  27.13 +/- 2.28   0.000% *  0.1076% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  27.43 +/- 2.15   0.000% *  0.1057% (0.78   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.97, residual support = 95.6:
    * O T HA    GLN   90 - HB3   GLN   90   2.89 +/- 0.23  99.991% * 99.7400% (0.82  10.0 10.00   3.97  95.62) = 100.000%  kept
          HA    ALA  110 - HB3   GLN   90  16.60 +/- 1.63   0.004% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLN   90  19.86 +/- 2.11   0.001% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  19.03 +/- 0.69   0.001% *  0.0495% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  17.07 +/- 0.97   0.003% *  0.0157% (0.13   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 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 95.6:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.999% * 98.2851% (0.67  10.0 10.00   3.99  95.62) = 100.000%  kept
        T HB3   GLU-  79 - HB3   GLN   90  13.45 +/- 1.04   0.001% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  24.98 +/- 0.94   0.000% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  23.79 +/- 0.80   0.000% *  0.0744% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  27.71 +/- 0.99   0.000% *  0.1203% (0.82   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  38 - HB3   GLN   90  31.70 +/- 1.24   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 = 3.93, residual support = 95.6:
    * O T QG    GLN   90 - HB3   GLN   90   2.33 +/- 0.12  99.881% * 99.3855% (0.75  10.0 10.00   3.93  95.62) = 100.000%  kept
          HG3   MET   92 - HB3   GLN   90   9.24 +/- 2.02   0.117% *  0.0171% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLN   90  16.22 +/- 1.17   0.001% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  21.67 +/- 0.97   0.000% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  21.76 +/- 1.49   0.000% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  27.07 +/- 2.29   0.000% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  27.49 +/- 2.09   0.000% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  23.38 +/- 0.96   0.000% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  33.71 +/- 2.79   0.000% *  0.0761% (0.57   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 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.61, residual support = 95.6:
    * O T HA    GLN   90 - QG    GLN   90   2.58 +/- 0.31  99.989% * 99.7400% (0.88  10.0 10.00   3.61  95.62) = 100.000%  kept
          HA    ALA  110 - QG    GLN   90  15.35 +/- 1.61   0.004% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   90  16.54 +/- 1.05   0.002% *  0.0495% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QG    GLN   90  18.57 +/- 1.31   0.001% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  15.35 +/- 1.10   0.004% *  0.0157% (0.14   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 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.93, residual support = 95.6:
    * O T HB2   GLN   90 - QG    GLN   90   2.45 +/- 0.12  99.983% * 97.8434% (0.72  10.0 10.00   3.93  95.62) = 100.000%  kept
        T HB3   GLU-  79 - QG    GLN   90  11.63 +/- 1.52   0.016% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - QG    GLN   90  20.28 +/- 1.58   0.000% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QG    GLN   90  21.39 +/- 1.61   0.000% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  23.90 +/- 1.39   0.000% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  27.47 +/- 1.56   0.000% *  0.0242% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.749, support = 3.93, residual support = 95.6:
    * O T HB3   GLN   90 - QG    GLN   90   2.33 +/- 0.12  99.539% * 98.5216% (0.75  10.0 10.00   3.93  95.62) =  99.999%  kept
        T HB2   MET   92 - QG    GLN   90   8.12 +/- 1.61   0.170% *  0.5741% (0.44   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QG    GLN   90   6.55 +/- 1.05   0.280% *  0.1058% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG    GLN   90  12.05 +/- 1.65   0.006% *  0.1089% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    GLN   90  16.59 +/- 1.68   0.001% *  0.1116% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  15.39 +/- 2.21   0.002% *  0.0668% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  17.46 +/- 1.73   0.001% *  0.0715% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  18.39 +/- 1.67   0.000% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  18.40 +/- 1.35   0.000% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  20.99 +/- 1.37   0.000% *  0.0901% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  21.65 +/- 1.30   0.000% *  0.0364% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  26.74 +/- 1.60   0.000% *  0.0985% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  27.11 +/- 2.37   0.000% *  0.0621% (0.47   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 1060 (2.27, 2.27, 34.07 ppm):
    1 diagonal assignment:
    *     QG    GLN   90 - QG    GLN   90  (0.80)  kept
 
    Peak 1061 (4.49, 4.49, 51.73 ppm):
    1 diagonal assignment:
    *     HA    ALA   91 - HA    ALA   91  (1.00)  kept
 
    Peak 1062 (1.25, 4.49, 51.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.24, residual support = 14.5:
    * O T QB    ALA   91 - HA    ALA   91   2.14 +/- 0.02  99.986% * 98.3255% (1.00  10.0 10.00   2.24  14.52) = 100.000%  kept
          QG2   ILE   56 - HA    ALA   91  10.89 +/- 1.82   0.009% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ALA   91  14.81 +/- 1.96   0.001% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ALA   91  13.76 +/- 2.05   0.002% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ALA   91  21.81 +/- 1.01   0.000% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  21.98 +/- 2.30   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  19.75 +/- 0.84   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  23.13 +/- 1.11   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  25.68 +/- 0.68   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  30.64 +/- 1.35   0.000% *  0.0882% (0.90   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 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.24, residual support = 14.5:
    * O T HA    ALA   91 - QB    ALA   91   2.14 +/- 0.02  99.816% * 99.0540% (1.00  10.0 10.00   2.24  14.52) = 100.000%  kept
          HA    TRP   27 - QG2   THR   23   6.83 +/- 0.84   0.132% *  0.0096% (0.10   1.0  1.00   0.02   0.73) =   0.000%
          HA    PRO   52 - QB    ALA   91   9.67 +/- 1.74   0.024% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   91  11.55 +/- 2.18   0.007% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   39  10.76 +/- 0.93   0.008% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   91  10.67 +/- 1.77   0.010% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   23  14.81 +/- 1.96   0.001% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  15.56 +/- 0.88   0.001% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   39  21.81 +/- 1.01   0.000% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  16.22 +/- 0.96   0.001% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  20.15 +/- 1.05   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  20.51 +/- 2.27   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  22.85 +/- 1.10   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  19.59 +/- 2.17   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  21.36 +/- 2.42   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.89 +/- 0.09 100.000% *100.0000% (0.73  10.0 10.00   5.31 132.34) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.06, 3.58, 50.24 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.3:
    * O T HB2   PRO   93 - HD2   PRO   93   3.77 +/- 0.23  70.527% * 99.2584% (0.73  10.0 10.00   5.40 132.34) =  99.986%  kept
          HG3   PRO   52 - HD2   PRO   93   5.34 +/- 2.03  28.226% *  0.0306% (0.22   1.0  1.00   0.02   0.52) =   0.012%
          HB    VAL  108 - HD2   PRO   93  10.00 +/- 2.24   0.819% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HD2   PRO   93  10.43 +/- 1.40   0.279% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD2   PRO   93  13.32 +/- 1.83   0.122% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   PRO   93  16.15 +/- 1.60   0.018% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   PRO   93  20.65 +/- 1.67   0.004% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   PRO   93  20.91 +/- 1.18   0.003% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  26.17 +/- 2.60   0.001% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  27.28 +/- 0.39   0.001% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  33.95 +/- 3.79   0.000% *  0.0408% (0.30   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 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   2.54 +/- 0.30  94.689% * 99.4388% (0.73  10.0 10.00   4.00 132.34) =  99.998%  kept
          HB3   PRO   52 - HD2   PRO   93   5.65 +/- 1.74   5.306% *  0.0307% (0.22   1.0  1.00   0.02   0.52) =   0.002%
          QB    LYS+  65 - HD2   PRO   93  18.27 +/- 1.67   0.001% *  0.0831% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   PRO   93  18.75 +/- 1.67   0.001% *  0.0892% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  17.34 +/- 0.76   0.001% *  0.0563% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   93  19.07 +/- 0.77   0.001% *  0.0722% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  20.52 +/- 0.99   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  20.39 +/- 1.21   0.000% *  0.0796% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  20.92 +/- 2.14   0.000% *  0.0276% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  21.54 +/- 2.29   0.000% *  0.0307% (0.22   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 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  99.647% * 98.6805% (0.65  10.0 10.00   4.00 132.34) = 100.000%  kept
          HB3   CYS   53 - HD2   PRO   93   5.67 +/- 1.57   0.314% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   93   7.73 +/- 1.57   0.036% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   93  12.01 +/- 1.65   0.002% *  0.1100% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   93  11.87 +/- 1.54   0.002% *  0.0579% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD2   PRO   93  23.28 +/- 2.68   0.000% *  0.9545% (0.63   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.61 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   3.87 +/- 0.09  99.994% * 99.8223% (0.90  10.0 10.00   5.31 132.34) = 100.000%  kept
        T HA    PRO   93 - HD3   PRO   68  20.47 +/- 2.28   0.006% *  0.1777% (0.16   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.888, support = 5.34, residual support = 130.4:
    * O T HB2   PRO   93 - HD3   PRO   93   3.88 +/- 0.26  57.020% * 95.3851% (0.90  10.0 10.00   5.40 132.34) =  98.503%  kept
          HG3   PRO   52 - HD3   PRO   93   4.76 +/- 2.17  41.990% *  1.9626% (0.28   1.0  1.00   1.33   0.52) =   1.493%  kept
        T HB2   ARG+  54 - HD3   PRO   93   9.82 +/- 1.17   0.240% *  0.8274% (0.78   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL  108 - HD3   PRO   93  10.21 +/- 2.16   0.423% *  0.0764% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HD3   PRO   93  12.84 +/- 1.44   0.063% *  0.0294% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   68  15.11 +/- 2.16   0.026% *  0.0637% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   68  11.94 +/- 2.47   0.153% *  0.0096% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   93  15.93 +/- 1.18   0.015% *  0.0540% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   93  20.69 +/- 1.87   0.003% *  0.2652% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HD3   PRO   68  20.18 +/- 2.57   0.004% *  0.1698% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   68  20.30 +/- 3.64   0.008% *  0.0698% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   68  16.70 +/- 1.77   0.011% *  0.0472% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   93  26.00 +/- 2.51   0.001% *  0.3580% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HD3   PRO   68  22.81 +/- 1.91   0.002% *  0.1473% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   93  20.97 +/- 1.28   0.003% *  0.0540% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  16.24 +/- 1.40   0.012% *  0.0096% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  16.16 +/- 1.89   0.015% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  21.15 +/- 2.74   0.004% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   93  33.87 +/- 3.65   0.000% *  0.3921% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  18.59 +/- 1.84   0.007% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  27.48 +/- 0.65   0.000% *  0.0464% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  25.59 +/- 2.35   0.001% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.892, support = 3.98, residual support = 131.4:
    * O T HG2   PRO   93 - HD3   PRO   93   2.66 +/- 0.30  75.683% * 89.7406% (0.90  10.0 10.00   4.00 132.34) =  99.267%  kept
        T HB3   PRO   52 - HD3   PRO   93   4.99 +/- 1.90   5.254% *  9.4864% (0.28   1.0 10.00   0.68   0.52) =   0.729%  kept
          QB    LYS+  66 - HD3   PRO   68   4.39 +/- 1.36  18.672% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+  65 - HD3   PRO   68   7.25 +/- 0.86   0.251% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68  10.23 +/- 3.48   0.100% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   68  11.08 +/- 0.74   0.015% *  0.0128% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD3   PRO   93  17.97 +/- 1.56   0.001% *  0.0750% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD3   PRO   68  21.44 +/- 2.75   0.000% *  0.1597% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   PRO   93  18.53 +/- 1.41   0.001% *  0.0805% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  11.82 +/- 1.30   0.014% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  17.61 +/- 0.69   0.001% *  0.0508% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  19.20 +/- 0.63   0.001% *  0.0652% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  14.75 +/- 1.06   0.003% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  20.76 +/- 0.87   0.000% *  0.0828% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  20.39 +/- 1.21   0.000% *  0.0719% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  18.43 +/- 1.75   0.001% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  21.33 +/- 1.95   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  20.65 +/- 2.05   0.000% *  0.0250% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  24.53 +/- 2.31   0.000% *  0.0493% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  19.33 +/- 1.36   0.001% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.997% * 99.5607% (0.65  10.0 10.00   4.00 132.34) = 100.000%  kept
          HA    THR   77 - HD3   PRO   93  10.54 +/- 1.02   0.003% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  18.25 +/- 0.90   0.000% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HD3   PRO   68  23.28 +/- 2.68   0.000% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  20.98 +/- 1.57   0.000% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  24.77 +/- 1.37   0.000% *  0.0219% (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 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   2.39 +/- 0.17  99.719% * 99.2584% (1.00  10.0 10.00   5.98 132.34) = 100.000%  kept
          HG3   PRO   52 - HA    PRO   93   7.75 +/- 1.61   0.188% *  0.0306% (0.31   1.0  1.00   0.02   0.52) =   0.000%
          HB    VAL  108 - HA    PRO   93   9.41 +/- 1.93   0.070% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    PRO   93  11.22 +/- 1.07   0.012% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    PRO   93  17.12 +/- 1.72   0.001% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    PRO   93  12.72 +/- 1.38   0.006% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    PRO   93  14.64 +/- 1.45   0.003% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  17.34 +/- 1.13   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  23.21 +/- 2.11   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  24.04 +/- 0.71   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  31.00 +/- 3.37   0.000% *  0.0408% (0.41   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 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 132.3:
    * O T HG2   PRO   93 - HA    PRO   93   3.96 +/- 0.03  97.727% * 99.4388% (1.00  10.0 10.00   5.31 132.34) =  99.999%  kept
          HB3   PRO   52 - HA    PRO   93   7.96 +/- 1.20   2.110% *  0.0307% (0.31   1.0  1.00   0.02   0.52) =   0.001%
          HG12  ILE  103 - HA    PRO   93  14.57 +/- 0.78   0.042% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    PRO   93  16.20 +/- 1.45   0.024% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   93  15.62 +/- 0.63   0.027% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   93  16.61 +/- 1.52   0.021% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    PRO   93  16.80 +/- 1.07   0.019% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   93  18.12 +/- 0.78   0.011% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    PRO   93  18.20 +/- 1.62   0.012% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   93  19.83 +/- 1.74   0.008% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.55 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   3.89 +/- 0.09  98.633% * 99.7770% (0.73  10.0 10.00   5.31 132.34) =  99.998%  kept
          HA    THR   77 - HA    PRO   93   8.50 +/- 1.23   1.333% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HA    PRO   93  14.86 +/- 0.92   0.034% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.28 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   3.87 +/- 0.09  78.281% * 98.6805% (0.90  10.0 10.00   5.31 132.34) =  99.970%  kept
          HB3   CYS   53 - HA    PRO   93   5.40 +/- 1.28  20.343% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.029%
          QB    PHE   55 - HA    PRO   93   8.69 +/- 1.51   1.026% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HA    PRO   93  10.47 +/- 1.61   0.284% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    PRO   93  12.82 +/- 0.93   0.061% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HA    PRO   93  20.47 +/- 2.28   0.005% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.08 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   2.73 +/- 0.31  98.320% * 99.0260% (1.00  10.0 10.00   5.40 132.34) =  99.998%  kept
        T HB3   PRO   52 - HB2   PRO   93   7.29 +/- 1.66   0.759% *  0.3056% (0.31   1.0 10.00   0.02   0.52) =   0.002%
          HB2   LEU   71 - HG3   GLN   30   7.14 +/- 0.96   0.536% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   GLN   30   9.01 +/- 1.53   0.329% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   PRO   93  15.44 +/- 1.57   0.004% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   93  16.09 +/- 1.72   0.003% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HG3   GLN   30  13.58 +/- 1.60   0.011% *  0.0215% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   PRO   93  17.41 +/- 1.39   0.002% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   93  16.70 +/- 0.95   0.002% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  16.08 +/- 1.06   0.003% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  19.33 +/- 1.15   0.001% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  20.18 +/- 1.90   0.001% *  0.0772% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  17.55 +/- 2.03   0.002% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  14.52 +/- 2.08   0.011% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  15.39 +/- 2.06   0.007% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  19.44 +/- 2.26   0.001% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  15.88 +/- 1.46   0.004% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  16.51 +/- 1.79   0.003% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  22.79 +/- 3.44   0.001% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  24.07 +/- 2.09   0.000% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 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   3.77 +/- 0.23  93.259% * 99.6822% (0.73  10.0 10.00   5.40 132.34) =  99.999%  kept
          HA    THR   77 - HB2   PRO   93   9.80 +/- 1.92   0.642% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   27 - HG3   GLN   30   6.20 +/- 0.66   6.045% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   27 - HB2   PRO   93  15.98 +/- 1.51   0.020% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HG3   GLN   30  20.65 +/- 1.67   0.004% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   77 - HG3   GLN   30  14.88 +/- 0.80   0.030% *  0.0096% (0.07   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 1084 (3.34, 2.06, 34.10 ppm):
    12 chemical-shift based assignments, quality = 0.896, support = 5.39, residual support = 132.2:
    * O T HD3   PRO   93 - HB2   PRO   93   3.88 +/- 0.26  50.357% * 97.4649% (0.90  10.0 10.00   5.40 132.34) =  99.891%  kept
          HB3   CYS   53 - HB2   PRO   93   4.46 +/- 2.02  46.879% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.103%
          QB    PHE   55 - HB2   PRO   93   7.62 +/- 1.70   2.286% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.004%
        T HD2   ARG+  54 - HB2   PRO   93  11.42 +/- 1.45   0.078% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HB2   PRO   93   9.68 +/- 1.59   0.367% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   PRO   93  20.18 +/- 2.57   0.005% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG3   GLN   30  16.70 +/- 1.77   0.011% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG3   GLN   30  20.69 +/- 1.87   0.003% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   GLN   30  24.74 +/- 1.55   0.001% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  19.17 +/- 2.13   0.005% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  19.33 +/- 2.33   0.005% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  21.58 +/- 1.81   0.002% *  0.0068% (0.06   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 1085 (5.07, 1.81, 24.81 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.31, residual support = 132.3:
    * O T HA    PRO   93 - HG2   PRO   93   3.96 +/- 0.03 100.000% *100.0000% (1.00  10.0 10.00   5.31 132.34) = 100.000%  kept
    Distance limit 4.88 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   2.73 +/- 0.31  93.037% * 98.7141% (1.00  10.0 10.00   5.40 132.34) =  99.977%  kept
        T HG3   PRO   52 - HG2   PRO   93   5.74 +/- 2.04   6.687% *  0.3047% (0.31   1.0 10.00   0.02   0.52) =   0.022%
        T HG2   PRO   58 - HG2   PRO   93  11.16 +/- 1.56   0.050% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   PRO   93   9.05 +/- 1.58   0.133% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   PRO   93  10.04 +/- 2.00   0.084% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   PRO   93  14.30 +/- 1.51   0.007% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   PRO   93  20.18 +/- 1.90   0.001% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   PRO   93  20.42 +/- 1.40   0.001% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  24.78 +/- 2.91   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  26.84 +/- 0.65   0.000% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  32.62 +/- 3.99   0.000% *  0.0406% (0.41   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 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   2.54 +/- 0.30  99.977% * 99.7770% (0.73  10.0 10.00   4.00 132.34) = 100.000%  kept
          HA    THR   77 - HG2   PRO   93  11.62 +/- 1.28   0.022% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG2   PRO   93  18.31 +/- 1.10   0.001% *  0.0998% (0.73   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 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   2.66 +/- 0.30  76.187% * 98.6805% (0.90  10.0 10.00   4.00 132.34) =  99.966%  kept
          HB3   CYS   53 - HG2   PRO   93   4.53 +/- 2.16  21.050% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.031%
          QB    PHE   55 - HG2   PRO   93   6.25 +/- 1.52   2.674% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PHE   59 - HG2   PRO   93   9.79 +/- 1.34   0.066% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   93  10.67 +/- 1.80   0.022% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   PRO   93  21.44 +/- 2.75   0.001% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.70 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   3.01 +/- 0.08  99.803% * 99.2375% (0.84  10.0 10.00   2.43  25.29) = 100.000%  kept
          QB    SER  117 - HA    THR   94  11.00 +/- 1.33   0.060% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    THR   94  10.33 +/- 1.47   0.085% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HA    THR   94  13.16 +/- 1.10   0.016% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    THR   94  13.51 +/- 1.41   0.014% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    THR   94  14.80 +/- 1.15   0.008% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    THR   94  15.83 +/- 1.29   0.006% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    THR   94  16.25 +/- 1.53   0.005% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    THR   94  18.09 +/- 1.13   0.002% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  20.64 +/- 1.22   0.001% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.09 A, kept.
 
    Peak 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   2.59 +/- 0.24  99.845% * 99.7175% (1.00  10.0 10.00   2.95  25.29) = 100.000%  kept
          HD2   LYS+ 112 - HA    THR   94  11.71 +/- 2.78   0.115% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    THR   94  11.48 +/- 1.45   0.019% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    THR   94  10.97 +/- 0.86   0.020% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  16.71 +/- 1.09   0.002% *  0.0724% (0.73   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 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   3.01 +/- 0.08  99.930% * 99.9751% (0.84  10.0 10.00   2.43  25.29) = 100.000%  kept
          HA    LYS+  74 - HB    THR   94  10.45 +/- 1.03   0.070% *  0.0249% (0.21   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 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   2.17 +/- 0.01  99.978% * 99.7175% (0.84  10.0 10.00   2.43  25.29) = 100.000%  kept
          HD2   LYS+ 112 - HB    THR   94  14.11 +/- 3.12   0.008% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB    THR   94  10.06 +/- 0.69   0.011% *  0.0308% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB    THR   94  13.92 +/- 1.78   0.002% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  16.83 +/- 1.10   0.001% *  0.0724% (0.61   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 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   2.59 +/- 0.24  99.932% * 99.9751% (1.00  10.0 10.00   2.95  25.29) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94   9.40 +/- 0.78   0.068% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.17 +/- 0.01  99.943% * 99.2375% (0.84  10.0 10.00   2.43  25.29) = 100.000%  kept
          QB    SER  117 - QG2   THR   94   9.45 +/- 1.58   0.026% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QG2   THR   94  10.99 +/- 1.10   0.008% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   THR   94  11.96 +/- 0.95   0.004% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  10.59 +/- 1.15   0.012% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  13.84 +/- 1.66   0.002% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  13.56 +/- 2.02   0.002% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  13.45 +/- 1.06   0.002% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QG2   THR   94  16.22 +/- 0.82   0.001% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  18.16 +/- 0.79   0.000% *  0.0992% (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 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   2.94 +/- 0.20 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.54) = 100.000%  kept
    Distance limit 3.71 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   2.63 +/- 0.24  99.988% * 99.8670% (1.00  10.0 10.00   4.00  73.54) = 100.000%  kept
          HG2   GLN  116 - HA    PHE   95  12.74 +/- 1.48   0.011% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    PHE   95  20.02 +/- 0.93   0.001% *  0.0341% (0.34   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 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   2.94 +/- 0.20 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.54) = 100.000%  kept
    Distance limit 3.79 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  99.997% * 99.8670% (1.00  10.0 10.00   3.31  73.54) = 100.000%  kept
          HG2   GLN  116 - HB2   PHE   95  10.57 +/- 1.70   0.003% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   PHE   95  22.79 +/- 0.88   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.63 +/- 0.24 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.54) = 100.000%  kept
    Distance limit 3.45 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  73.54) = 100.000%  kept
    Distance limit 2.61 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   3.00 +/- 0.06  96.740% * 99.6213% (0.98  10.0 10.00   5.00 115.52) =  99.999%  kept
          HB2   ASP- 105 - HA    MET   96   6.25 +/- 1.14   3.222% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    MET   96  12.19 +/- 0.85   0.023% *  0.0761% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   96  15.11 +/- 0.70   0.006% *  0.0723% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   96  15.85 +/- 0.90   0.005% *  0.0644% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    MET   96  17.15 +/- 0.88   0.003% *  0.0684% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    MET   96  19.33 +/- 0.89   0.001% *  0.0564% (0.55   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 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   2.74 +/- 0.12  99.970% * 99.7402% (0.98  10.0 10.00   5.00 115.52) = 100.000%  kept
          HB2   LEU   40 - HA    MET   96  11.15 +/- 0.86   0.028% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   96  22.23 +/- 1.80   0.000% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  18.80 +/- 1.30   0.001% *  0.0249% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  29.40 +/- 3.11   0.000% *  0.0685% (0.67   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 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   2.86 +/- 0.52  99.992% * 99.6261% (0.98  10.0 10.00   4.44 115.52) = 100.000%  kept
        T HB2   PRO   52 - HA    MET   96  15.50 +/- 2.04   0.008% *  0.3739% (0.37   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.84 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   2.55 +/- 0.40  99.807% * 99.7437% (0.59  10.0 10.00   4.44 115.52) = 100.000%  kept
          HB3   TRP   87 - HA    MET   96   8.56 +/- 1.50   0.186% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    MET   96  15.35 +/- 1.55   0.004% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    MET   96  15.97 +/- 1.48   0.003% *  0.0457% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    MET   96  20.60 +/- 1.30   0.001% *  0.1374% (0.82   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 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   3.00 +/- 0.06  99.781% * 99.9773% (0.98  10.0 10.00   5.00 115.52) = 100.000%  kept
          HA    PHE   72 - HB2   MET   96   8.65 +/- 0.86   0.219% *  0.0227% (0.22   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 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   5.00 115.52) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  10.84 +/- 1.03   0.002% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  20.61 +/- 1.83   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  19.32 +/- 1.27   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  27.63 +/- 3.17   0.000% *  0.0685% (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 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   2.63 +/- 0.33  99.997% * 99.6261% (1.00  10.0 10.00   4.44 115.52) = 100.000%  kept
        T HB2   PRO   52 - HB2   MET   96  16.49 +/- 1.99   0.003% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.94 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   2.73 +/- 0.26  99.594% * 99.7437% (0.61  10.0 10.00   4.44 115.52) = 100.000%  kept
          HB3   TRP   87 - HB2   MET   96   8.04 +/- 1.88   0.400% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   MET   96  18.58 +/- 1.39   0.001% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   MET   96  16.07 +/- 1.15   0.003% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  17.94 +/- 1.53   0.002% *  0.0457% (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 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   2.74 +/- 0.12  99.910% * 99.9773% (0.98  10.0 10.00   5.00 115.52) = 100.000%  kept
          HA    PHE   72 - HB3   MET   96   9.45 +/- 1.03   0.090% *  0.0227% (0.22   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 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  99.987% * 99.6213% (1.00  10.0 10.00   5.00 115.52) = 100.000%  kept
          HB2   ASP- 105 - HB3   MET   96   8.84 +/- 1.12   0.012% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  12.90 +/- 1.09   0.001% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  13.45 +/- 0.85   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  15.84 +/- 0.76   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  16.50 +/- 1.02   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  16.99 +/- 1.07   0.000% *  0.0564% (0.57   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 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   2.78 +/- 0.22  99.993% * 99.6261% (1.00  10.0 10.00   4.44 115.52) = 100.000%  kept
        T HB2   PRO   52 - HB3   MET   96  15.06 +/- 2.05   0.007% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.79 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   2.87 +/- 0.20  98.838% * 99.7437% (0.61  10.0 10.00   4.44 115.52) = 100.000%  kept
          HB3   TRP   87 - HB3   MET   96   7.08 +/- 1.68   1.155% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   MET   96  15.91 +/- 1.18   0.004% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB3   MET   96  20.10 +/- 1.52   0.001% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  17.41 +/- 1.43   0.002% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.86 +/- 0.52  99.927% * 99.6779% (0.98  10.0 10.00   4.44 115.52) = 100.000%  kept
        T HA    MET   96 - HB2   PRO   52  15.50 +/- 2.04   0.008% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HG2   MET   96  10.90 +/- 0.83   0.063% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HB2   PRO   52  18.73 +/- 1.58   0.002% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.63 +/- 0.33  99.776% * 99.2205% (1.00  10.0 10.00   4.44 115.52) = 100.000%  kept
          HB2   ASP- 105 - HG2   MET   96   8.30 +/- 1.16   0.198% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   96 - HB2   PRO   52  16.49 +/- 1.99   0.003% *  0.2915% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   MET   96  13.66 +/- 0.76   0.006% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   MET   96  14.52 +/- 0.97   0.004% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   MET   96  15.39 +/- 1.05   0.003% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   MET   96  18.13 +/- 1.08   0.001% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  15.34 +/- 2.11   0.004% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  17.90 +/- 1.03   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  17.96 +/- 2.14   0.002% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  19.77 +/- 1.61   0.001% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  21.85 +/- 1.95   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  25.55 +/- 2.62   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  30.01 +/- 1.98   0.000% *  0.0212% (0.21   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 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   2.78 +/- 0.22  99.486% * 99.3732% (1.00  10.0 10.00   4.44 115.52) = 100.000%  kept
          HB3   ARG+  54 - HB2   PRO   52   6.99 +/- 0.82   0.482% *  0.0073% (0.07   1.0  1.00   0.02   1.76) =   0.000%
        T HB3   MET   96 - HB2   PRO   52  15.06 +/- 2.05   0.007% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   96  11.77 +/- 0.84   0.023% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG2   MET   96  22.80 +/- 2.05   0.000% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  20.41 +/- 1.46   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  29.67 +/- 3.25   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  24.59 +/- 1.99   0.000% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  27.07 +/- 2.41   0.000% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  35.40 +/- 4.20   0.000% *  0.0201% (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 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  99.905% * 99.2819% (0.61  10.0 10.00   4.00 115.52) = 100.000%  kept
          HB3   TRP   87 - HG2   MET   96   6.97 +/- 1.82   0.093% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HB2   PRO   52  16.89 +/- 2.52   0.000% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  15.69 +/- 0.83   0.000% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  14.60 +/- 3.18   0.001% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  19.82 +/- 1.61   0.000% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  17.70 +/- 1.39   0.000% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  18.61 +/- 1.61   0.000% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  15.83 +/- 2.20   0.000% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  33.12 +/- 2.79   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   2.55 +/- 0.40  99.969% * 99.9773% (0.59  10.0 10.00   4.44 115.52) = 100.000%  kept
          HA    PHE   72 - HG3   MET   96  10.78 +/- 0.79   0.031% *  0.0227% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.73 +/- 0.26  99.564% * 99.6213% (0.61  10.0 10.00   4.44 115.52) = 100.000%  kept
          HB2   ASP- 105 - HG3   MET   96   7.82 +/- 1.27   0.416% *  0.0410% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   MET   96  13.37 +/- 0.66   0.009% *  0.0761% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   MET   96  14.46 +/- 0.96   0.005% *  0.0723% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   MET   96  15.67 +/- 1.06   0.004% *  0.0644% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   MET   96  18.05 +/- 1.09   0.001% *  0.0684% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  18.24 +/- 1.21   0.001% *  0.0564% (0.34   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 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   2.87 +/- 0.20  99.969% * 99.7402% (0.61  10.0 10.00   4.44 115.52) = 100.000%  kept
          HB2   LEU   40 - HG3   MET   96  11.54 +/- 0.78   0.030% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG3   MET   96  22.81 +/- 1.97   0.001% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  20.31 +/- 1.55   0.001% *  0.0249% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  29.66 +/- 3.30   0.000% *  0.0685% (0.42   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 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   4.00 115.52) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  16.89 +/- 2.52   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   2.92 +/- 0.20  99.054% * 99.7149% (1.00  10.0 10.00   2.89  62.56) =  99.999%  kept
          QE    LYS+ 106 - HA    PHE   97   7.91 +/- 0.93   0.350% *  0.0724% (0.73   1.0  1.00   0.02   8.72) =   0.000%
          QE    LYS+  99 - HA    PHE   97   7.45 +/- 0.84   0.517% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    PHE   97  11.02 +/- 1.64   0.050% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   97  12.16 +/- 0.80   0.021% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    PHE   97  14.48 +/- 0.95   0.008% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.75 +/- 0.21  99.968% * 99.7224% (0.95  10.0 10.00   3.44  62.56) = 100.000%  kept
          HB2   GLU- 100 - HA    PHE   97  11.21 +/- 0.44   0.025% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    PHE   97  15.71 +/- 1.66   0.004% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PHE   97  17.39 +/- 1.53   0.002% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    PHE   97  17.56 +/- 0.80   0.002% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.92 +/- 0.20 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.56) = 100.000%  kept
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1137 (2.99, 2.99, 40.60 ppm):
    1 diagonal assignment:
    *     HB2   PHE   97 - HB2   PHE   97  (1.00)  kept
 
    Peak 1138 (2.36, 2.99, 40.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.6:
    * O T HB3   PHE   97 - HB2   PHE   97   1.75 +/- 0.00  99.998% * 99.7224% (0.95  10.0 10.00   3.31  62.56) = 100.000%  kept
          HB2   GLU- 100 - HB2   PHE   97  11.41 +/- 0.77   0.001% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  14.59 +/- 1.68   0.000% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PHE   97  17.95 +/- 1.62   0.000% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  19.68 +/- 0.72   0.000% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.75 +/- 0.21 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.56) = 100.000%  kept
    Distance limit 3.47 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  99.889% * 99.7149% (0.95  10.0 10.00   3.31  62.56) = 100.000%  kept
          QE    LYS+ 106 - HB3   PHE   97   6.65 +/- 1.24   0.063% *  0.0724% (0.69   1.0  1.00   0.02   8.72) =   0.000%
          QE    LYS+  99 - HB3   PHE   97   7.13 +/- 1.23   0.045% *  0.0410% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   PHE   97  11.85 +/- 1.98   0.002% *  0.0525% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   PHE   97  14.66 +/- 0.79   0.000% *  0.0995% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  15.04 +/- 1.43   0.000% *  0.0197% (0.19   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 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 = 80.6:
    * O T QB    LEU   98 - HA    LEU   98   2.28 +/- 0.10  99.927% * 99.2568% (0.87  10.0 10.00   4.97  80.55) = 100.000%  kept
          HD3   LYS+ 121 - HA    LEU   98  13.25 +/- 4.32   0.015% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LEU   98   8.45 +/- 0.49   0.042% *  0.0226% (0.20   1.0  1.00   0.02   0.62) =   0.000%
          HB3   LEU   73 - HA    LEU   98  11.99 +/- 1.20   0.006% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  16.69 +/- 1.47   0.001% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LEU   98  16.78 +/- 0.77   0.001% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  16.22 +/- 1.91   0.001% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.50 +/- 1.59   0.001% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LEU   98  14.33 +/- 2.35   0.003% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  17.41 +/- 2.27   0.001% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  14.38 +/- 0.85   0.002% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LEU   98  16.28 +/- 0.78   0.001% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  21.52 +/- 2.28   0.000% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  20.78 +/- 1.21   0.000% *  0.0226% (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 1144 (0.71, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.983, support = 4.78, residual support = 78.7:
    *   T QD1   LEU   98 - HA    LEU   98   2.95 +/- 0.48  68.191% * 94.6972% (1.00 10.00   4.81  80.55) =  97.481%  kept
          QD2   LEU  104 - HA    LEU   98   3.85 +/- 1.11  31.799% *  5.2485% (0.31  1.00   3.59   7.72) =   2.519%  kept
          QG2   ILE   19 - HA    LEU   98  15.14 +/- 1.13   0.005% *  0.0355% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  15.16 +/- 1.10   0.005% *  0.0187% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.998, support = 4.28, residual support = 79.2:
    *   T QD2   LEU   98 - HA    LEU   98   3.74 +/- 0.44  80.813% * 88.1893% (1.00 10.00   4.33  80.55) =  97.193%  kept
          QG2   VAL   41 - HA    LEU   98   5.24 +/- 0.83  18.894% * 10.8926% (0.95  1.00   2.61  31.76) =   2.807%  kept
        T QD1   LEU   80 - HA    LEU   98  14.39 +/- 1.54   0.035% *  0.8819% (1.00 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   98  11.20 +/- 2.01   0.258% *  0.0363% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 80.6:
    * O T HA    LEU   98 - QB    LEU   98   2.28 +/- 0.10 100.000% *100.0000% (0.87  10.0 10.00   4.97  80.55) = 100.000%  kept
    Distance limit 3.14 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 = 3.84, residual support = 80.6:
    * O T QD1   LEU   98 - QB    LEU   98   2.17 +/- 0.12  98.091% * 99.7344% (0.87  10.0 10.00   3.84  80.55) =  99.999%  kept
          QD2   LEU  104 - QB    LEU   98   4.97 +/- 1.10   1.901% *  0.0308% (0.27   1.0  1.00   0.02   7.72) =   0.001%
        T QD1   ILE   19 - QB    LEU   98  12.42 +/- 1.05   0.003% *  0.1974% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QB    LEU   98  12.25 +/- 1.26   0.004% *  0.0374% (0.33   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 1149 (0.55, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.858, support = 3.3, residual support = 71.2:
    * O T QD2   LEU   98 - QB    LEU   98   2.09 +/- 0.13  79.851% * 51.1151% (0.87  10.0 10.00   3.39  80.55) =  80.742%  kept
        T QG2   VAL   41 - QB    LEU   98   2.96 +/- 0.60  20.134% * 48.3528% (0.82   1.0 10.00   2.93  31.76) =  19.258%  kept
        T QD1   LEU   80 - QB    LEU   98  11.56 +/- 1.47   0.004% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QB    LEU   98  10.44 +/- 2.03   0.012% *  0.0210% (0.36   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 1150 (5.51, 0.71, 25.69 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.81, residual support = 80.6:
    *   T HA    LEU   98 - QD1   LEU   98   2.95 +/- 0.48 100.000% *100.0000% (1.00 10.00   4.81  80.55) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.84, residual support = 80.6:
    * O T QB    LEU   98 - QD1   LEU   98   2.17 +/- 0.12  99.744% * 98.1517% (0.87  10.0 10.00   3.84  80.55) = 100.000%  kept
        T HG    LEU   80 - QD1   LEU   98  10.92 +/- 1.66   0.009% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   98   7.17 +/- 1.19   0.157% *  0.0224% (0.20   1.0  1.00   0.02   0.62) =   0.000%
        T HG12  ILE   19 - QD1   LEU   98  13.79 +/- 2.07   0.003% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   98  12.70 +/- 3.36   0.011% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98   8.52 +/- 1.33   0.050% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   LEU   98  11.31 +/- 1.38   0.006% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   98  12.38 +/- 1.12   0.004% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   98  13.35 +/- 1.40   0.003% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  11.57 +/- 1.03   0.005% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  12.94 +/- 2.19   0.004% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   98  13.27 +/- 1.16   0.002% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   98  17.71 +/- 2.16   0.001% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  17.54 +/- 1.25   0.000% *  0.0224% (0.20   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 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 = 2.8, residual support = 80.5:
    * O T QD2   LEU   98 - QD1   LEU   98   2.06 +/- 0.07  92.251% * 98.8770% (1.00  10.0 10.00   2.80  80.55) =  99.992%  kept
          QG2   VAL   41 - QD1   LEU   98   3.74 +/- 0.85   7.726% *  0.0935% (0.95   1.0  1.00   0.02  31.76) =   0.008%
        T QD1   LEU   80 - QD1   LEU   98   9.89 +/- 1.15   0.011% *  0.9888% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD1   LEU   98   9.99 +/- 1.77   0.012% *  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 = 4.33, residual support = 80.6:
    *   T HA    LEU   98 - QD2   LEU   98   3.74 +/- 0.44  99.952% * 99.4301% (1.00 10.00   4.33  80.55) = 100.000%  kept
        T HA    LEU   98 - QD1   LEU   80  14.39 +/- 1.54   0.048% *  0.5699% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 0.703, support = 3.6, residual support = 79.7:
    * O T QB    LEU   98 - QD2   LEU   98   2.09 +/- 0.13  43.002% * 50.3539% (0.87  10.0 10.00   3.39  80.55) =  64.699%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.11 +/- 0.01  40.405% * 16.1964% (0.28  10.0  1.00   3.73  78.25) =  19.553%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.55 +/- 0.34  16.412% * 32.1120% (0.55  10.0 10.00   4.32  78.25) =  15.747%  kept
        T HB2   LEU   80 - QD2   LEU   98  10.77 +/- 1.56   0.003% *  0.5602% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   80   7.22 +/- 1.22   0.039% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   98   6.77 +/- 0.99   0.062% *  0.0115% (0.20   1.0  1.00   0.02   0.62) =   0.000%
        T QB    LEU   98 - QD1   LEU   80  11.56 +/- 1.47   0.002% *  0.2886% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98   7.60 +/- 1.11   0.034% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  10.27 +/- 1.87   0.005% *  0.0283% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80   7.78 +/- 0.87   0.020% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   98  11.65 +/- 1.17   0.002% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   98  13.65 +/- 3.24   0.001% *  0.0580% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  10.44 +/- 0.91   0.003% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   98  12.94 +/- 1.81   0.001% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  12.05 +/- 1.29   0.001% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  13.84 +/- 1.58   0.001% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  13.07 +/- 1.23   0.001% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  12.75 +/- 1.59   0.001% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  12.61 +/- 0.95   0.001% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  14.99 +/- 1.96   0.000% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  16.88 +/- 2.36   0.000% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  12.56 +/- 0.92   0.001% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  16.19 +/- 2.31   0.000% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  13.80 +/- 1.67   0.001% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  17.23 +/- 1.45   0.000% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  21.15 +/- 2.30   0.000% *  0.0333% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  17.98 +/- 1.17   0.000% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  18.30 +/- 1.39   0.000% *  0.0066% (0.11   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 1156 (0.71, 0.55, 25.87 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.8, residual support = 80.6:
    * O T QD1   LEU   98 - QD2   LEU   98   2.06 +/- 0.07  99.735% * 98.8641% (1.00  10.0 10.00   2.80  80.55) =  99.999%  kept
        T QD2   LEU  104 - QD2   LEU   98   6.12 +/- 0.93   0.207% *  0.3051% (0.31   1.0 10.00   0.02   7.72) =   0.001%
        T QD1   LEU   98 - QD1   LEU   80   9.89 +/- 1.15   0.012% *  0.5667% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD1   LEU   80   8.86 +/- 1.02   0.021% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD2   LEU   98  10.93 +/- 1.24   0.006% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80  10.33 +/- 1.55   0.014% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   80  15.10 +/- 1.32   0.001% *  0.1749% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98  11.32 +/- 0.99   0.005% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 173.0:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.17 +/- 0.38  98.142% * 98.7502% (1.00  10.0 10.00   6.44 173.01) =  99.997%  kept
        T HG3   LYS+  38 - HA    LYS+  99   8.59 +/- 1.23   0.403% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HA    LYS+  99   6.83 +/- 0.71   1.198% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HA    LYS+  99   9.23 +/- 1.06   0.234% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HA    LYS+  99  18.16 +/- 2.12   0.004% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  99  16.46 +/- 2.15   0.007% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  99  18.03 +/- 1.10   0.004% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  99  19.31 +/- 2.08   0.003% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  17.57 +/- 1.32   0.005% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  23.95 +/- 2.26   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.665, support = 5.85, residual support = 173.0:
      O T HB3   LYS+  99 - HA    LYS+  99   2.65 +/- 0.26  76.098% * 28.6795% (0.41  10.0 10.00   5.88 173.01) =  56.825%  kept
    *   T QD    LYS+  99 - HA    LYS+  99   3.61 +/- 0.84  23.769% * 69.7607% (1.00   1.0 10.00   5.82 173.01) =  43.174%  kept
        T QD    LYS+ 106 - HA    LYS+  99  11.72 +/- 0.81   0.012% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+  99   8.32 +/- 1.11   0.108% *  0.0155% (0.22   1.0  1.00   0.02   1.70) =   0.000%
        T HB2   LEU  123 - HA    LYS+  99  17.36 +/- 5.20   0.003% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+  99  12.58 +/- 1.20   0.009% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HA    LYS+  99  17.89 +/- 1.17   0.001% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  99  22.25 +/- 0.36   0.000% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  24.47 +/- 2.14   0.000% *  0.0479% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  22.49 +/- 0.71   0.000% *  0.0262% (0.38   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 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.07, residual support = 173.0:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.65 +/- 0.38  98.622% * 98.5233% (1.00  10.0 10.00   7.07 173.01) =  99.998%  kept
        T HG2   LYS+  38 - HA    LYS+  99   8.58 +/- 0.74   0.147% *  0.9657% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LYS+  99   6.25 +/- 0.71   1.166% *  0.0219% (0.22   1.0  1.00   0.02  17.63) =   0.000%
          HB2   LEU   31 - HA    LYS+  99  10.72 +/- 1.25   0.040% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  15.69 +/- 5.39   0.010% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  99  15.35 +/- 1.52   0.005% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  99  15.36 +/- 0.87   0.004% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  99  17.60 +/- 1.95   0.002% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  18.71 +/- 1.25   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  16.94 +/- 1.10   0.002% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  23.63 +/- 2.71   0.000% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  17.85 +/- 1.38   0.001% *  0.0152% (0.15   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 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.32, residual support = 173.0:
    *   T QE    LYS+  99 - HA    LYS+  99   3.77 +/- 0.32  96.239% * 98.3577% (1.00 10.00   5.32 173.01) =  99.985%  kept
        T QE    LYS+  38 - HA    LYS+  99   8.84 +/- 0.81   0.860% *  0.8821% (0.90 10.00   0.02   0.02) =   0.008%
        T QE    LYS+ 102 - HA    LYS+  99   8.59 +/- 0.60   0.835% *  0.6756% (0.69 10.00   0.02   1.70) =   0.006%
          HB2   PHE   97 - HA    LYS+  99   7.37 +/- 0.65   2.030% *  0.0404% (0.41  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    LYS+  99  14.57 +/- 1.23   0.036% *  0.0441% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1164 (4.38, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.0, residual support = 173.0:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.86 +/- 0.26  95.401% * 99.5483% (1.00  10.0 10.00   7.00 173.01) =  99.999%  kept
          HA    LEU   40 - HB2   LYS+  99   5.01 +/- 0.85   4.523% *  0.0248% (0.25   1.0  1.00   0.02  11.46) =   0.001%
          HA    ASN   35 - HB2   LYS+  99  10.28 +/- 1.01   0.059% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LYS+  99  15.76 +/- 5.89   0.013% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  21.79 +/- 1.57   0.001% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  22.36 +/- 1.47   0.000% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  19.53 +/- 1.70   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  19.82 +/- 2.05   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  22.33 +/- 1.37   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  24.35 +/- 3.26   0.000% *  0.0135% (0.14   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 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 = 173.0:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.50 +/- 0.23  99.836% * 98.7502% (1.00  10.0 10.00   6.44 173.01) = 100.000%  kept
        T HG3   LYS+  38 - HB2   LYS+  99  10.07 +/- 1.37   0.047% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  99   8.48 +/- 0.71   0.099% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  99  11.66 +/- 1.23   0.014% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HB2   LYS+  99  18.56 +/- 2.00   0.001% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  99  18.55 +/- 2.08   0.001% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  99  19.60 +/- 1.20   0.001% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  19.51 +/- 2.27   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  17.64 +/- 1.36   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  23.07 +/- 2.50   0.000% *  0.0337% (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 1167 (1.70, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.531, support = 4.88, residual support = 173.0:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  90.429% * 29.0322% (0.41  10.0   4.67 173.01) =  79.577%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.64 +/- 0.32   9.541% * 70.6187% (1.00  10.0   5.69 173.01) =  20.423%  kept
          QD    LYS+ 102 - HB2   LYS+  99   7.56 +/- 1.33   0.028% *  0.0157% (0.22   1.0   0.02   1.70) =   0.000%
          QD    LYS+ 106 - HB2   LYS+  99  10.72 +/- 0.78   0.002% *  0.0705% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  14.60 +/- 1.19   0.000% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  16.60 +/- 5.08   0.000% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  17.87 +/- 1.27   0.000% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  22.36 +/- 0.64   0.000% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  23.46 +/- 2.46   0.000% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  22.82 +/- 0.70   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 = 7.07, residual support = 173.0:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.93 +/- 0.18  99.229% * 99.3871% (1.00  10.0   7.07 173.01) = 100.000%  kept
          HG    LEU   98 - HB2   LYS+  99   7.03 +/- 0.47   0.648% *  0.0221% (0.22   1.0   0.02  17.63) =   0.000%
          HG2   LYS+  38 - HB2   LYS+  99  10.25 +/- 0.86   0.066% *  0.0974% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+  99  13.11 +/- 1.23   0.017% *  0.0830% (0.84   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  99  14.99 +/- 5.28   0.022% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  99  15.82 +/- 1.62   0.005% *  0.0563% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  99  17.63 +/- 2.16   0.003% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  16.35 +/- 1.17   0.004% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  17.71 +/- 1.09   0.002% *  0.0339% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  20.26 +/- 1.37   0.001% *  0.0683% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  22.63 +/- 2.93   0.001% *  0.0891% (0.90   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  18.62 +/- 1.46   0.002% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (3.01, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.1, residual support = 173.0:
    *     QE    LYS+  99 - HB2   LYS+  99   3.48 +/- 0.65  95.114% * 99.0513% (1.00   5.10 173.01) =  99.989%  kept
          HB2   PHE   97 - HB2   LYS+  99   6.72 +/- 0.67   3.077% *  0.1596% (0.41   0.02   0.02) =   0.005%
          QE    LYS+ 102 - HB2   LYS+  99   8.06 +/- 1.09   1.502% *  0.2667% (0.69   0.02   1.70) =   0.004%
          QE    LYS+  38 - HB2   LYS+  99   9.79 +/- 0.89   0.294% *  0.3483% (0.90   0.02   0.02) =   0.001%
          HB3   TRP   27 - HB2   LYS+  99  16.65 +/- 1.30   0.012% *  0.1741% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 173.0:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.17 +/- 0.38  73.649% * 97.9094% (1.00  10.0 10.00   6.44 173.01) =  99.993%  kept
          HA    LEU   40 - HG3   LYS+  99   4.74 +/- 1.27  13.626% *  0.0244% (0.25   1.0  1.00   0.02  11.46) =   0.005%
          HA    ASN   35 - HG3   LYS+  38   4.70 +/- 0.78  11.826% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  99 - HG3   LYS+  38   8.59 +/- 1.23   0.302% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   LYS+  99   9.26 +/- 1.49   0.197% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  99  15.88 +/- 6.27   0.024% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HG12  ILE   89  18.16 +/- 2.12   0.003% *  0.3971% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   8.27 +/- 0.83   0.344% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  99  23.76 +/- 1.49   0.001% *  0.9262% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG12  ILE   89  17.51 +/- 2.06   0.005% *  0.0376% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  20.56 +/- 3.15   0.003% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  23.18 +/- 1.71   0.001% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  20.55 +/- 1.85   0.001% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  22.25 +/- 2.19   0.001% *  0.0383% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  19.48 +/- 2.35   0.002% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  20.93 +/- 5.85   0.003% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  18.82 +/- 1.60   0.002% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  19.38 +/- 1.56   0.002% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  24.77 +/- 2.29   0.000% *  0.0344% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  29.24 +/- 1.19   0.000% *  0.0966% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  20.05 +/- 1.37   0.002% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  23.27 +/- 1.54   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  99  23.66 +/- 3.67   0.001% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  19.02 +/- 2.00   0.003% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  24.64 +/- 1.35   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  21.23 +/- 3.52   0.001% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  29.98 +/- 1.91   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  25.61 +/- 1.47   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  29.35 +/- 1.87   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  27.55 +/- 0.80   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.04 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 = 0.883, support = 4.61, residual support = 178.9:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.80 +/- 0.49  38.575% * 89.0505% (1.00  10.0 10.00   4.67 173.01) =  87.138%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.55 +/- 0.37  60.827% *  8.3338% (0.09  10.0 10.00   4.25 219.14) =  12.859%  kept
        T QE    LYS+  38 - HG3   LYS+  99   8.20 +/- 0.90   0.068% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HG3   LYS+  99   9.24 +/- 1.35   0.086% *  0.6117% (0.69   1.0 10.00   0.02   1.70) =   0.001%
        T QE    LYS+  99 - HG3   LYS+  38   8.07 +/- 1.35   0.358% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HG3   LYS+  99   8.65 +/- 0.64   0.053% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG12  ILE   89  14.48 +/- 2.47   0.005% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  38  12.99 +/- 1.95   0.010% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG12  ILE   89  18.61 +/- 1.66   0.001% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  12.72 +/- 2.16   0.010% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG12  ILE   89  14.03 +/- 1.57   0.004% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG12  ILE   89  23.81 +/- 2.01   0.000% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  99  17.51 +/- 1.27   0.001% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  15.61 +/- 1.32   0.002% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  18.58 +/- 0.93   0.001% *  0.0042% (0.05   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 1176 (4.38, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.81, residual support = 172.8:
    *   T HA    LYS+  99 - QD    LYS+  99   3.61 +/- 0.84  74.423% * 95.3671% (1.00 10.00   5.82 173.01) =  99.892%  kept
          HA    LEU   40 - QD    LYS+  99   4.45 +/- 1.12  24.467% *  0.2981% (0.25  1.00   0.25  11.46) =   0.103%
        T HA    LEU  123 - QD    LYS+  99  13.24 +/- 5.34   0.283% *  0.8272% (0.87 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  99 - QD    LYS+ 106  11.72 +/- 0.81   0.100% *  0.7678% (0.81 10.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD    LYS+  99   9.05 +/- 1.50   0.485% *  0.0920% (0.97  1.00   0.02   0.02) =   0.001%
        T HA    ILE   56 - QD    LYS+ 106  14.73 +/- 1.52   0.032% *  0.7263% (0.76 10.00   0.02   0.02) =   0.000%
        T HA    LEU  123 - QD    LYS+ 106  16.24 +/- 2.20   0.019% *  0.6660% (0.70 10.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - QD    LYS+  99  20.66 +/- 1.33   0.003% *  0.9021% (0.95 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+ 106  13.79 +/- 1.01   0.039% *  0.0641% (0.67  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD    LYS+ 106  12.69 +/- 0.80   0.064% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+ 106  14.69 +/- 1.47   0.034% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    LYS+ 106  17.82 +/- 1.03   0.008% *  0.0741% (0.78  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+  99  19.93 +/- 1.73   0.004% *  0.0797% (0.84  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+  99  17.68 +/- 1.67   0.009% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  17.28 +/- 1.06   0.011% *  0.0118% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  17.22 +/- 2.13   0.009% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  21.06 +/- 2.90   0.004% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  20.24 +/- 1.22   0.003% *  0.0147% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  21.57 +/- 1.39   0.003% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  26.46 +/- 2.32   0.001% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.85, residual support = 173.0:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.38 +/- 0.16  99.562% * 97.4178% (1.00  10.0  1.00   5.85 173.01) = 100.000%  kept
        T HG2   LYS+ 111 - QD    LYS+ 106  11.73 +/- 2.59   0.017% *  0.7034% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+  99   8.21 +/- 1.20   0.087% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 106   9.80 +/- 2.18   0.042% *  0.0570% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 106   8.18 +/- 1.61   0.121% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  99   8.24 +/- 0.65   0.069% *  0.0217% (0.22   1.0  1.00   0.02  17.63) =   0.000%
          QB    ALA  124 - QD    LYS+  99  12.35 +/- 4.98   0.041% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  99  12.76 +/- 1.48   0.006% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 106  11.89 +/- 1.84   0.012% *  0.0352% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+ 106  12.88 +/- 0.86   0.005% *  0.0784% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 106  11.30 +/- 1.67   0.013% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  99  21.32 +/- 2.95   0.000% *  0.8737% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  13.52 +/- 1.55   0.005% *  0.0444% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  14.24 +/- 1.36   0.003% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  15.68 +/- 2.23   0.002% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  12.31 +/- 1.93   0.008% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  16.40 +/- 1.50   0.001% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  15.66 +/- 1.08   0.001% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  17.52 +/- 1.80   0.001% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  18.82 +/- 1.08   0.000% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  16.00 +/- 2.00   0.001% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  17.21 +/- 0.85   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  19.79 +/- 1.27   0.000% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  18.24 +/- 1.14   0.001% *  0.0150% (0.15   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 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 173.0:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.33 +/- 0.15  99.458% * 94.6730% (1.00  10.0 10.00   5.27 173.01) =  99.999%  kept
        T HG3   LYS+  38 - QD    LYS+  99   7.97 +/- 1.28   0.107% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  99   6.79 +/- 0.93   0.283% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+ 106  10.23 +/- 2.22   0.054% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 106  12.70 +/- 0.87   0.004% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+ 106  10.76 +/- 1.54   0.018% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 106  12.16 +/- 2.11   0.010% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  99  10.41 +/- 1.40   0.020% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+ 106  10.92 +/- 3.07   0.036% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 106  15.80 +/- 1.35   0.001% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  99  18.52 +/- 1.25   0.000% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+  99  16.52 +/- 1.24   0.001% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+  99  18.59 +/- 1.63   0.000% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  13.90 +/- 0.88   0.002% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+ 106  18.86 +/- 1.41   0.000% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  99  16.65 +/- 2.05   0.001% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  16.10 +/- 1.13   0.001% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  99  21.69 +/- 2.59   0.000% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  19.20 +/- 1.57   0.000% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  18.87 +/- 1.85   0.000% *  0.0612% (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 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.35, residual support = 173.0:
    * O T QE    LYS+  99 - QD    LYS+  99   2.08 +/- 0.02  99.647% * 96.3213% (1.00  10.0 10.00   4.35 173.01) =  99.999%  kept
        T QE    LYS+  38 - QD    LYS+  99   7.69 +/- 1.11   0.057% *  0.8638% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - QD    LYS+  99   8.77 +/- 1.38   0.032% *  0.6616% (0.69   1.0 10.00   0.02   1.70) =   0.000%
        T QE    LYS+ 102 - QD    LYS+ 106   9.58 +/- 1.07   0.014% *  0.5327% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+ 106   6.41 +/- 0.94   0.178% *  0.0319% (0.33   1.0  1.00   0.02   8.72) =   0.000%
        T QE    LYS+  99 - QD    LYS+ 106  11.28 +/- 1.02   0.005% *  0.7755% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.33 +/- 0.78   0.066% *  0.0396% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 106  17.63 +/- 1.32   0.000% *  0.6955% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.62 +/- 1.76   0.001% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  16.16 +/- 1.42   0.001% *  0.0432% (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 1188 (4.38, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.98, support = 5.23, residual support = 168.7:
    *   T HA    LYS+  99 - QE    LYS+  99   3.77 +/- 0.32  44.056% * 95.8636% (1.00 10.00   5.32 173.01) =  97.329%  kept
          HA    LEU   40 - QE    LYS+  99   3.74 +/- 0.59  48.072% *  2.3989% (0.25  1.00   2.01  11.46) =   2.658%  kept
        T HA    LYS+  99 - QE    LYS+ 102   8.59 +/- 0.60   0.389% *  0.6538% (0.68 10.00   0.02   1.70) =   0.006%
          HA    ASN   35 - QE    LYS+  38   5.64 +/- 0.74   5.610% *  0.0250% (0.26  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  99 - QE    LYS+  38   8.84 +/- 0.81   0.402% *  0.2586% (0.27 10.00   0.02   0.02) =   0.002%
          HA    LEU  123 - QE    LYS+  99  12.02 +/- 5.61   0.408% *  0.0832% (0.87  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QE    LYS+  99   9.11 +/- 1.45   0.329% *  0.0925% (0.97  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QE    LYS+ 102  11.83 +/- 1.72   0.078% *  0.0631% (0.66  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+  38   8.85 +/- 0.83   0.486% *  0.0064% (0.07  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+ 102  10.75 +/- 1.01   0.118% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  99  19.23 +/- 2.04   0.004% *  0.0801% (0.84  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  99  19.78 +/- 1.42   0.002% *  0.0907% (0.95  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  99  16.60 +/- 1.76   0.008% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+ 102  20.92 +/- 4.18   0.002% *  0.0567% (0.59  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  38  19.63 +/- 5.00   0.006% *  0.0224% (0.23  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  99  15.99 +/- 1.59   0.010% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  23.50 +/- 1.17   0.001% *  0.0618% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  23.15 +/- 1.05   0.001% *  0.0546% (0.57  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  19.15 +/- 1.26   0.003% *  0.0148% (0.15  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  19.94 +/- 2.71   0.003% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  22.32 +/- 1.36   0.001% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  18.61 +/- 1.97   0.004% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  20.32 +/- 3.14   0.003% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  23.06 +/- 1.68   0.001% *  0.0088% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  27.55 +/- 1.14   0.000% *  0.0245% (0.26  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  27.84 +/- 1.64   0.000% *  0.0216% (0.23  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  24.47 +/- 1.09   0.001% *  0.0101% (0.11  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  24.28 +/- 1.33   0.001% *  0.0064% (0.07  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  26.67 +/- 2.61   0.000% *  0.0088% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  26.14 +/- 0.80   0.000% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.484, support = 4.47, residual support = 173.0:
      O T QD    LYS+  99 - QE    LYS+  99   2.08 +/- 0.02  81.830% * 59.3751% (0.41  10.0 10.00   4.35 173.01) =  87.550%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.01 +/- 0.72  18.035% * 38.3099% (1.00   1.0  1.00   5.31 173.01) =  12.450%  kept
        T QD    LYS+  99 - QE    LYS+ 102   8.77 +/- 1.38   0.026% *  0.4049% (0.28   1.0 10.00   0.02   1.70) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   7.69 +/- 1.11   0.049% *  0.1602% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   9.58 +/- 1.07   0.011% *  0.3697% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 102   8.43 +/- 1.18   0.031% *  0.0985% (0.68   1.0  1.00   0.02   1.70) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.28 +/- 1.02   0.004% *  0.5420% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+  38   9.75 +/- 1.06   0.010% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  99  15.99 +/- 1.30   0.000% *  0.1416% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  15.56 +/- 1.84   0.001% *  0.0753% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.35 +/- 1.06   0.001% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.63 +/- 1.32   0.000% *  0.1462% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  18.86 +/- 1.14   0.000% *  0.0965% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  15.52 +/- 1.53   0.001% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  19.53 +/- 1.05   0.000% *  0.1104% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.04 +/- 0.70   0.000% *  0.0087% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  23.00 +/- 1.07   0.000% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  24.51 +/- 1.31   0.000% *  0.0298% (0.21   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 1190 (1.24, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.876, support = 4.61, residual support = 179.3:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.80 +/- 0.49  38.277% * 88.1476% (1.00  10.0 10.00   4.67 173.01) =  86.250%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.55 +/- 0.37  60.243% *  8.9252% (0.10  10.0 10.00   4.25 219.14) =  13.744%  kept
        T HG3   LYS+  38 - QE    LYS+  99   8.07 +/- 1.35   0.350% *  0.3308% (0.38   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  99 - QE    LYS+ 102   9.24 +/- 1.35   0.084% *  0.6011% (0.68   1.0 10.00   0.02   1.70) =   0.001%
          QG2   THR   39 - QE    LYS+  99   5.88 +/- 0.58   0.656% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QE    LYS+  38   8.20 +/- 0.90   0.067% *  0.2378% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  99   9.52 +/- 1.14   0.056% *  0.0874% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  38   7.89 +/- 0.86   0.223% *  0.0154% (0.17   1.0  1.00   0.02  27.76) =   0.000%
        T HG3   LYS+  38 - QE    LYS+ 102  12.99 +/- 1.95   0.009% *  0.2256% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+ 102  14.48 +/- 2.47   0.005% *  0.2471% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  99  18.61 +/- 1.66   0.001% *  0.3624% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  38  11.79 +/- 1.22   0.011% *  0.0236% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  99  15.60 +/- 1.91   0.002% *  0.0834% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+ 102  12.79 +/- 0.90   0.005% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 102  15.02 +/- 1.32   0.002% *  0.0596% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  16.48 +/- 2.65   0.002% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  99  17.77 +/- 0.88   0.001% *  0.0880% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  18.79 +/- 1.92   0.001% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  15.88 +/- 1.31   0.002% *  0.0196% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  19.71 +/- 1.50   0.000% *  0.0600% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  20.83 +/- 1.70   0.000% *  0.0569% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  18.67 +/- 2.36   0.001% *  0.0225% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  23.81 +/- 2.01   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  21.27 +/- 2.58   0.000% *  0.0301% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  18.17 +/- 1.31   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  22.31 +/- 2.17   0.000% *  0.0205% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  22.49 +/- 0.96   0.000% *  0.0237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  23.88 +/- 1.49   0.000% *  0.0154% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  22.27 +/- 1.18   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  29.52 +/- 2.63   0.000% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 75.8:
    * O T HB2   GLU- 100 - HA    GLU- 100   2.98 +/- 0.09  95.790% * 99.1823% (1.00  10.0 10.00   4.26  75.76) =  99.997%  kept
        T HB2   GLU- 100 - HA    LYS+  38   6.34 +/- 2.15   3.931% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HA    GLU- 100  11.29 +/- 0.75   0.037% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    GLU- 100  10.30 +/- 1.59   0.089% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   8.98 +/- 0.38   0.138% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    GLU- 100  26.56 +/- 1.79   0.000% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  13.58 +/- 1.22   0.014% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU- 100  21.37 +/- 1.39   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  25.09 +/- 2.04   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  26.57 +/- 1.14   0.000% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  22.22 +/- 0.77   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  26.13 +/- 2.06   0.000% *  0.0059% (0.06   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 1196 (2.04, 3.81, 57.72 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.8:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.44 +/- 0.19  93.115% * 99.2716% (1.00  10.0 10.00   4.26  75.76) =  99.996%  kept
        T HB3   GLU- 100 - HA    LYS+  38   5.52 +/- 2.36   6.836% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.004%
          HB2   GLN   30 - HA    GLU- 100  12.01 +/- 2.20   0.014% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 100  13.39 +/- 2.27   0.008% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  11.36 +/- 0.72   0.011% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  17.76 +/- 1.82   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 100  17.42 +/- 2.83   0.002% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  12.73 +/- 0.82   0.006% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  21.51 +/- 3.45   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  20.90 +/- 0.76   0.000% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  15.50 +/- 1.43   0.002% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  23.38 +/- 0.95   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  22.17 +/- 1.91   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  14.81 +/- 2.39   0.003% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  30.90 +/- 1.18   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  26.83 +/- 2.36   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  22.13 +/- 3.02   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  23.78 +/- 0.68   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  20.61 +/- 1.16   0.000% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  25.12 +/- 1.19   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  31.75 +/- 0.92   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  28.78 +/- 2.47   0.000% *  0.0017% (0.02   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 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   2.93 +/- 0.32  74.022% * 99.4988% (1.00  10.0 10.00   4.72  75.76) =  99.979%  kept
        T HG2   GLU- 100 - HA    LYS+  38   4.44 +/- 1.86  25.915% *  0.0601% (0.06   1.0 10.00   0.02   0.02) =   0.021%
          HB2   MET   96 - HA    GLU- 100  12.56 +/- 0.66   0.014% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU- 100  14.49 +/- 0.99   0.006% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  13.49 +/- 1.35   0.009% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU- 100  15.65 +/- 1.94   0.004% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU- 100  23.69 +/- 1.52   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  12.37 +/- 0.63   0.014% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  19.81 +/- 2.15   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  15.04 +/- 0.94   0.005% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  19.89 +/- 1.83   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  16.83 +/- 1.09   0.002% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  14.93 +/- 0.27   0.004% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  26.75 +/- 1.22   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  18.10 +/- 1.59   0.002% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  24.85 +/- 0.67   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  20.02 +/- 0.62   0.001% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  29.06 +/- 1.38   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.8:
    * O T HA    GLU- 100 - HB2   GLU- 100   2.98 +/- 0.09  96.058% * 98.6741% (1.00  10.0 10.00   4.26  75.76) =  99.991%  kept
        T HA    LYS+  38 - HB2   GLU- 100   6.34 +/- 2.15   3.940% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.009%
          HA    VAL   83 - HB2   GLU- 100  19.63 +/- 2.03   0.001% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB2   GLU- 100  28.10 +/- 1.18   0.000% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  27.78 +/- 1.43   0.000% *  0.0406% (0.41   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 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 = 75.8:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  99.999% * 99.3690% (1.00  10.0 10.00   2.00  75.76) = 100.000%  kept
          HB2   GLN   30 - HB2   GLU- 100  14.43 +/- 2.06   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  15.76 +/- 2.09   0.000% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  18.40 +/- 1.98   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  21.69 +/- 3.19   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  21.14 +/- 0.92   0.000% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  18.93 +/- 2.58   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  24.57 +/- 0.96   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  23.96 +/- 1.67   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  26.89 +/- 2.44   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  32.03 +/- 1.01   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 = 75.8:
    * O T HG2   GLU- 100 - HB2   GLU- 100   3.00 +/- 0.06  99.966% * 99.5837% (1.00  10.0 10.00   3.24  75.76) = 100.000%  kept
          HB2   MET   96 - HB2   GLU- 100  13.75 +/- 0.56   0.011% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLU- 100  14.29 +/- 0.91   0.009% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   GLU- 100  14.42 +/- 1.22   0.009% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU- 100  18.17 +/- 1.89   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLU- 100  25.67 +/- 1.42   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   GLU- 100  21.39 +/- 1.95   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  22.32 +/- 1.82   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  27.70 +/- 1.32   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.33 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   2.44 +/- 0.19  93.161% * 99.5406% (1.00  10.0 10.00   4.26  75.76) =  99.984%  kept
        T HA    LYS+  38 - HB3   GLU- 100   5.52 +/- 2.36   6.839% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.016%
          HA    VAL   83 - HB3   GLU- 100  19.69 +/- 1.86   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  28.72 +/- 1.44   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  28.29 +/- 1.55   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 1203 (2.37, 2.04, 29.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.8:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  99.997% * 99.6840% (1.00  10.0 10.00   2.00  75.76) = 100.000%  kept
          HB3   PHE   97 - HB3   GLU- 100  12.48 +/- 0.81   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU- 100  11.29 +/- 1.91   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  23.12 +/- 1.45   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  26.14 +/- 2.03   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  28.11 +/- 1.75   0.000% *  0.0447% (0.45   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 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 = 75.8:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.42 +/- 0.14  99.992% * 99.0882% (1.00  10.0 10.00   3.24  75.76) = 100.000%  kept
        T HB    VAL   70 - HB3   GLU- 100  14.80 +/- 1.33   0.002% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU- 100  14.29 +/- 0.47   0.003% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLU- 100  15.40 +/- 0.86   0.002% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB3   GLU- 100  21.34 +/- 2.16   0.000% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  17.40 +/- 2.11   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  25.70 +/- 1.57   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  21.72 +/- 2.02   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  28.38 +/- 1.19   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 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 = 4.72, residual support = 75.7:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.93 +/- 0.32  74.069% * 99.5406% (1.00  10.0 10.00   4.72  75.76) =  99.922%  kept
        T HA    LYS+  38 - HG2   GLU- 100   4.44 +/- 1.86  25.930% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.078%
          HA    VAL   83 - HG2   GLU- 100  20.45 +/- 1.42   0.001% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  27.83 +/- 1.64   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  27.79 +/- 1.74   0.000% *  0.0409% (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 1207 (2.37, 2.23, 38.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.8:
    * O T HB2   GLU- 100 - HG2   GLU- 100   3.00 +/- 0.06  99.913% * 99.6840% (1.00  10.0 10.00   3.24  75.76) = 100.000%  kept
          HB3   PHE   97 - HG2   GLU- 100  12.02 +/- 0.87   0.028% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLU- 100  11.33 +/- 1.86   0.058% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  25.28 +/- 2.47   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLU- 100  23.21 +/- 1.13   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  27.01 +/- 2.04   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1208 (2.04, 2.23, 38.95 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.8:
    * O T HB3   GLU- 100 - HG2   GLU- 100   2.42 +/- 0.14  99.988% * 98.4783% (1.00  10.0 10.00   3.24  75.76) = 100.000%  kept
        T HB3   PRO   68 - HG2   GLU- 100  16.90 +/- 1.90   0.001% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   GLU- 100  13.52 +/- 2.01   0.005% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   GLU- 100  14.88 +/- 1.97   0.003% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HG2   GLU- 100  17.30 +/- 2.43   0.001% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HG2   GLU- 100  22.67 +/- 1.83   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLU- 100  21.59 +/- 3.62   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  22.12 +/- 0.91   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  24.89 +/- 1.16   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  27.49 +/- 2.81   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  31.99 +/- 1.41   0.000% *  0.0789% (0.80   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 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  20.77 +/- 1.87   0.000% *  0.0375% (0.38   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 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  99.990% * 99.5312% (1.00  10.0 10.00   2.00  15.44) = 100.000%  kept
          HA    ALA   34 - HA2   GLY  101  10.69 +/- 2.05   0.005% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HA2   GLY  101  12.11 +/- 3.15   0.004% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  17.63 +/- 3.14   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  21.00 +/- 1.96   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  23.05 +/- 1.75   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  22.78 +/- 6.62   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  28.66 +/- 1.45   0.000% *  0.0277% (0.28   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 1213 (3.52, 3.52, 45.70 ppm):
    1 diagonal assignment:
    *     HA2   GLY  101 - HA2   GLY  101  (1.00)  kept
 
    Peak 1214 (4.60, 4.60, 54.68 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 102 - HA    LYS+ 102  (1.00)  kept
 
    Peak 1215 (1.81, 4.60, 54.68 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 159.3:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.37 +/- 0.09  97.664% * 99.0531% (1.00  10.0 10.00   6.31 159.35) =  99.999%  kept
          HG12  ILE  103 - HA    LYS+ 102   4.54 +/- 0.32   2.213% *  0.0338% (0.34   1.0  1.00   0.02  22.38) =   0.001%
        T HB    VAL   41 - HA    LYS+ 102   7.68 +/- 0.86   0.117% *  0.4821% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HA    LYS+ 102  12.82 +/- 0.92   0.004% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  19.65 +/- 1.64   0.000% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  22.06 +/- 0.99   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  21.78 +/- 0.80   0.000% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  24.69 +/- 1.26   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  22.07 +/- 3.81   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  25.56 +/- 1.26   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1216 (1.45, 4.60, 54.68 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 159.3:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   3.24 +/- 0.52  99.810% * 99.3298% (1.00  10.0 10.00   5.75 159.35) = 100.000%  kept
          HG    LEU   40 - HA    LYS+ 102  10.37 +/- 0.93   0.130% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+ 102  13.90 +/- 0.94   0.022% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 102  18.74 +/- 2.46   0.005% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+ 102  19.62 +/- 2.60   0.004% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  17.23 +/- 2.04   0.008% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  19.74 +/- 1.77   0.003% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    LYS+ 102  20.92 +/- 2.15   0.002% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  17.88 +/- 2.31   0.006% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 102  19.90 +/- 0.86   0.003% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  18.92 +/- 1.66   0.004% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  20.61 +/- 2.04   0.003% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  20.83 +/- 2.24   0.002% *  0.0248% (0.25   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 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.3:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   2.93 +/- 0.70  81.218% * 96.7067% (1.00  10.0 10.00   5.05 159.35) =  99.991%  kept
          QB    LEU   98 - HA    LYS+ 102   4.19 +/- 0.92  15.097% *  0.0330% (0.34   1.0  1.00   0.02   2.23) =   0.006%
        T HG3   LYS+ 106 - HA    LYS+ 102   9.48 +/- 0.73   0.110% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LYS+ 102   5.68 +/- 1.06   3.530% *  0.0269% (0.28   1.0  1.00   0.02   2.23) =   0.001%
        T HG3   LYS+  33 - HA    LYS+ 102  16.02 +/- 1.63   0.005% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 102  12.76 +/- 0.68   0.019% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 102  14.89 +/- 1.30   0.007% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 102  25.30 +/- 1.27   0.000% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 102  15.45 +/- 1.73   0.008% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  20.27 +/- 0.69   0.001% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  19.90 +/- 4.38   0.002% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 102  23.80 +/- 2.83   0.001% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  25.20 +/- 1.06   0.000% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  19.83 +/- 1.10   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (1.68, 4.60, 54.68 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.3:
    *   T QD    LYS+ 102 - HA    LYS+ 102   3.09 +/- 0.71  99.152% * 98.2489% (1.00 10.00   5.05 159.35) = 100.000%  kept
          QD    LYS+  99 - HA    LYS+ 102   8.15 +/- 0.74   0.451% *  0.0219% (0.22  1.00   0.02   1.70) =   0.000%
          QD    LYS+  38 - HA    LYS+ 102  11.32 +/- 1.48   0.086% *  0.0787% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 102   9.76 +/- 1.09   0.260% *  0.0245% (0.25  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 102  15.31 +/- 1.97   0.015% *  0.0636% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 102  14.77 +/- 1.25   0.017% *  0.0404% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 102  16.85 +/- 3.61   0.012% *  0.0517% (0.53  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 102  24.44 +/- 1.95   0.001% *  0.6749% (0.69 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 102  23.48 +/- 1.17   0.001% *  0.5562% (0.57 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 102  21.74 +/- 4.06   0.002% *  0.0907% (0.92  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 102  22.28 +/- 0.67   0.001% *  0.0929% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  20.88 +/- 0.59   0.002% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 159.3:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.19 +/- 0.29  99.738% * 98.4155% (1.00 10.00   5.05 159.35) =  99.998%  kept
        T QE    LYS+  99 - HA    LYS+ 102   9.10 +/- 0.49   0.224% *  0.6760% (0.69 10.00   0.02   1.70) =   0.002%
        T QE    LYS+  38 - HA    LYS+ 102  12.42 +/- 1.41   0.038% *  0.9085% (0.92 10.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1220 (4.60, 1.81, 34.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 159.3:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.37 +/- 0.09  99.871% * 99.1785% (1.00  10.0 10.00   6.31 159.35) =  99.999%  kept
        T HA    LYS+ 102 - HB    VAL   41   7.68 +/- 0.86   0.120% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HA    CYS   21 - HB    VAL   41  13.34 +/- 2.02   0.005% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    LYS+ 102  19.35 +/- 2.13   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    VAL   41  13.86 +/- 0.92   0.003% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  19.21 +/- 1.05   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  19.94 +/- 0.95   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  20.29 +/- 0.57   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  24.56 +/- 2.05   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  21.94 +/- 1.99   0.000% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  27.67 +/- 1.46   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  25.34 +/- 0.82   0.000% *  0.0288% (0.29   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 1221 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1222 (1.45, 1.81, 34.65 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 159.3:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.31 +/- 0.13  98.530% * 96.6607% (1.00  10.0 10.00   5.31 159.35) =  99.999%  kept
          HG    LEU   40 - HB    VAL   41   5.53 +/- 1.10   1.085% *  0.0348% (0.36   1.0  1.00   0.02  19.76) =   0.000%
          HG    LEU   73 - HB    VAL   41   6.61 +/- 1.02   0.296% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HB    VAL   41   9.72 +/- 1.01   0.026% *  0.4343% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+ 102   9.64 +/- 1.25   0.029% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB    VAL   41  13.68 +/- 1.86   0.003% *  0.2983% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB    VAL   41  16.06 +/- 1.67   0.002% *  0.3767% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - QB    LYS+ 102  17.85 +/- 2.50   0.001% *  0.6640% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - QB    LYS+ 102  18.86 +/- 2.04   0.001% *  0.8385% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+ 102  13.80 +/- 0.74   0.002% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB    VAL   41  12.69 +/- 1.75   0.005% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  17.10 +/- 2.47   0.001% *  0.0664% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41  13.35 +/- 2.35   0.006% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  13.46 +/- 1.49   0.004% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  14.56 +/- 0.77   0.002% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  18.13 +/- 1.45   0.000% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  15.77 +/- 2.08   0.001% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  16.54 +/- 1.94   0.001% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  17.24 +/- 1.72   0.001% *  0.0330% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  17.33 +/- 1.79   0.001% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  18.53 +/- 0.73   0.000% *  0.0509% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  15.79 +/- 2.41   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  17.46 +/- 1.74   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  18.86 +/- 1.67   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  19.79 +/- 2.16   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  17.31 +/- 2.39   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.38, 1.81, 34.65 ppm):
    28 chemical-shift based assignments, quality = 0.83, support = 4.54, residual support = 133.8:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.40 +/- 0.18  34.064% * 81.1240% (1.00  10.0 10.00   4.75 159.35) =  79.953%  kept
        T QB    LEU   98 - HB    VAL   41   2.33 +/- 0.73  55.710% * 12.4339% (0.15   1.0 10.00   3.70  31.76) =  20.042%  kept
          HG    LEU   98 - HB    VAL   41   3.88 +/- 0.93   9.220% *  0.0101% (0.12   1.0  1.00   0.02  31.76) =   0.003%
        T HB    VAL   42 - HB    VAL   41   5.95 +/- 0.23   0.172% *  0.3573% (0.44   1.0 10.00   0.02  22.98) =   0.002%
          QB    LEU   98 - QB    LYS+ 102   5.09 +/- 0.59   0.609% *  0.0277% (0.34   1.0  1.00   0.02   2.23) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+ 102   8.74 +/- 0.89   0.017% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB    VAL   41   9.76 +/- 1.03   0.009% *  0.3645% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+ 102   6.50 +/- 0.82   0.136% *  0.0226% (0.28   1.0  1.00   0.02   2.23) =   0.000%
        T HG3   LYS+  33 - HB    VAL   41  10.22 +/- 0.78   0.007% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB    VAL   41  10.46 +/- 0.81   0.005% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB    VAL   41   7.97 +/- 1.30   0.041% *  0.0364% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    LYS+ 102  12.32 +/- 0.75   0.002% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 102  15.31 +/- 1.65   0.001% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB    VAL   41  18.59 +/- 1.13   0.000% *  0.3573% (0.44   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 102  14.80 +/- 1.06   0.001% *  0.0809% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    LYS+ 102  22.90 +/- 1.04   0.000% *  0.8041% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 102  23.26 +/- 1.29   0.000% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HB    VAL   41  22.30 +/- 1.46   0.000% *  0.3613% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  15.15 +/- 1.55   0.001% *  0.0304% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  14.15 +/- 1.04   0.001% *  0.0137% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  18.12 +/- 2.54   0.001% *  0.0221% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  13.23 +/- 1.01   0.002% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  17.40 +/- 3.90   0.001% *  0.0161% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  17.44 +/- 4.37   0.001% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  22.00 +/- 2.84   0.000% *  0.0492% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  16.60 +/- 0.88   0.000% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.19 +/- 0.73   0.000% *  0.0334% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  19.24 +/- 0.89   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.68, 1.81, 34.65 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.3:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.20 +/- 0.33  98.827% * 94.6216% (1.00  10.0 10.00   4.75 159.35) =  99.999%  kept
        T QD    LYS+  38 - QB    LYS+ 102   9.71 +/- 1.91   0.057% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QB    LYS+ 102   6.60 +/- 1.59   0.789% *  0.0211% (0.22   1.0  1.00   0.02   1.70) =   0.000%
        T QD    LYS+ 102 - HB    VAL   41   9.61 +/- 0.82   0.029% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB    VAL   41  10.46 +/- 0.63   0.011% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    VAL   41   7.88 +/- 1.21   0.122% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QB    LYS+ 102   8.88 +/- 1.26   0.040% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   7.76 +/- 1.05   0.099% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HB    VAL   41  18.39 +/- 4.27   0.001% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+ 102  20.98 +/- 0.93   0.000% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB    VAL   41  17.42 +/- 0.94   0.001% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HB    VAL   41  18.89 +/- 0.87   0.000% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  14.82 +/- 3.15   0.002% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  12.91 +/- 1.27   0.004% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  10.98 +/- 1.16   0.010% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 102  22.00 +/- 2.17   0.000% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QB    LYS+ 102  21.54 +/- 1.20   0.000% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  15.48 +/- 1.67   0.001% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  14.73 +/- 1.10   0.002% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  14.93 +/- 3.11   0.002% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  19.22 +/- 3.59   0.000% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB    VAL   41  23.17 +/- 1.96   0.000% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  19.70 +/- 0.89   0.000% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  18.78 +/- 0.67   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 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 = 159.3:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.82 +/- 0.41  98.899% * 97.2926% (1.00 10.00   4.75 159.35) =  99.994%  kept
        T QE    LYS+  99 - QB    LYS+ 102   7.63 +/- 1.22   0.418% *  0.6683% (0.69 10.00   0.02   1.70) =   0.003%
        T QE    LYS+  99 - HB    VAL   41   7.53 +/- 0.77   0.443% *  0.3003% (0.31 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - QB    LYS+ 102  10.69 +/- 1.87   0.080% *  0.8981% (0.92 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HB    VAL   41   9.49 +/- 1.07   0.135% *  0.4372% (0.45 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - HB    VAL   41  11.79 +/- 0.66   0.025% *  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 = 159.3:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   3.24 +/- 0.52  99.995% * 99.7392% (1.00  10.0 10.00   5.75 159.35) = 100.000%  kept
          HA    CYS   21 - HG2   LYS+ 102  22.09 +/- 2.53   0.002% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  22.38 +/- 1.65   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  22.89 +/- 1.34   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  28.27 +/- 2.70   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  31.68 +/- 1.83   0.000% *  0.0645% (0.65   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 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 159.3:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.31 +/- 0.13  99.750% * 98.4503% (1.00  10.0 10.00   5.31 159.35) = 100.000%  kept
        T HB    VAL   41 - HG2   LYS+ 102   9.72 +/- 1.01   0.026% *  0.4792% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+ 102   6.97 +/- 0.87   0.221% *  0.0336% (0.34   1.0  1.00   0.02  22.38) =   0.000%
          HB2   LEU   71 - HG2   LYS+ 102  14.49 +/- 1.33   0.002% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HG2   LYS+ 102  20.68 +/- 1.91   0.000% *  0.6763% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  23.40 +/- 1.50   0.000% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  23.76 +/- 0.99   0.000% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  22.93 +/- 4.36   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  26.47 +/- 1.66   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  27.47 +/- 1.58   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.45, 1.45, 25.01 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 102 - HG2   LYS+ 102  (1.00)  kept
 
    Peak 1229 (1.38, 1.45, 25.01 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.3:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  99.910% * 96.7067% (1.00  10.0 10.00   4.42 159.35) = 100.000%  kept
        T HG3   LYS+ 106 - HG2   LYS+ 102  10.76 +/- 1.54   0.003% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 102   6.22 +/- 0.71   0.070% *  0.0330% (0.34   1.0  1.00   0.02   2.23) =   0.000%
          HG    LEU   98 - HG2   LYS+ 102   8.00 +/- 0.98   0.016% *  0.0269% (0.28   1.0  1.00   0.02   2.23) =   0.000%
        T HG3   LYS+  33 - HG2   LYS+ 102  17.51 +/- 1.52   0.000% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  14.53 +/- 1.40   0.000% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  17.13 +/- 1.43   0.000% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HG2   LYS+ 102  26.91 +/- 1.84   0.000% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  17.32 +/- 2.10   0.000% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  20.20 +/- 4.77   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  22.31 +/- 1.11   0.000% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  25.05 +/- 3.03   0.000% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  26.65 +/- 1.78   0.000% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  22.11 +/- 1.46   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 = 159.3:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.22 +/- 0.12  99.801% * 98.2489% (1.00  10.0 10.00   4.42 159.35) = 100.000%  kept
          QD    LYS+  99 - HG2   LYS+ 102   8.11 +/- 2.00   0.172% *  0.0219% (0.22   1.0  1.00   0.02   1.70) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 102  11.08 +/- 1.78   0.012% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   LYS+ 102  10.76 +/- 1.55   0.013% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  17.54 +/- 4.06   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  17.69 +/- 2.22   0.001% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+ 102  25.62 +/- 2.08   0.000% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 102  24.90 +/- 1.65   0.000% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  16.99 +/- 1.51   0.001% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  22.48 +/- 4.56   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  24.32 +/- 1.10   0.000% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  22.87 +/- 1.30   0.000% *  0.0556% (0.57   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 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.3:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.07 +/- 0.34  99.542% * 98.4155% (1.00  10.0 10.00   4.42 159.35) =  99.997%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   9.23 +/- 1.67   0.391% *  0.6760% (0.69   1.0 10.00   0.02   1.70) =   0.003%
        T QE    LYS+  38 - HG2   LYS+ 102  12.08 +/- 1.80   0.067% *  0.9085% (0.92   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1232 (4.60, 1.38, 25.01 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.3:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   2.93 +/- 0.70  99.560% * 97.9004% (1.00  10.0 10.00   5.05 159.35) = 100.000%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   9.48 +/- 0.73   0.185% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  33  11.24 +/- 2.31   0.120% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  33  16.02 +/- 1.63   0.009% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  22.34 +/- 3.54   0.018% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  65  25.30 +/- 1.27   0.001% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  12.01 +/- 0.43   0.045% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  65  17.25 +/- 1.73   0.005% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  65  14.31 +/- 1.99   0.019% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  13.45 +/- 1.50   0.024% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  65  19.32 +/- 2.59   0.004% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 102  21.95 +/- 2.59   0.001% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  22.30 +/- 1.31   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  65  22.82 +/- 2.45   0.001% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  20.52 +/- 1.73   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  19.91 +/- 2.47   0.002% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  22.76 +/- 1.54   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  28.12 +/- 2.76   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  19.54 +/- 0.94   0.003% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  26.71 +/- 1.45   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  23.90 +/- 1.78   0.001% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  31.48 +/- 2.11   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  29.31 +/- 1.85   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  28.79 +/- 1.45   0.000% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.897, support = 5.16, residual support = 161.9:
      O   QB    LYS+  65 - HG3   LYS+  65   2.29 +/- 0.15  55.971% * 43.4551% (0.80  10.0  1.00   5.57 164.30) =  50.915%  kept
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.40 +/- 0.18  43.043% * 54.4770% (1.00  10.0 10.00   4.75 159.35) =  49.085%  kept
          QB    LYS+  66 - HG3   LYS+  65   6.26 +/- 0.62   0.192% *  0.0305% (0.56   1.0  1.00   0.02  25.13) =   0.000%
          HB3   GLN   17 - HG3   LYS+  65   6.71 +/- 1.57   0.250% *  0.0216% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 102   6.74 +/- 0.84   0.228% *  0.0186% (0.34   1.0  1.00   0.02  22.38) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 102   9.76 +/- 1.03   0.013% *  0.2652% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+ 106   8.74 +/- 0.89   0.022% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  33   7.59 +/- 1.06   0.056% *  0.0261% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  33  10.22 +/- 0.78   0.009% *  0.1317% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   6.24 +/- 1.12   0.199% *  0.0034% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 106  10.46 +/- 0.81   0.007% *  0.0483% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  33  15.31 +/- 1.65   0.001% *  0.2706% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  14.58 +/- 1.09   0.001% *  0.0526% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  65  18.59 +/- 1.13   0.000% *  0.2158% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  65  14.61 +/- 1.00   0.001% *  0.0428% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  65  23.26 +/- 1.29   0.000% *  0.4433% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  13.59 +/- 1.45   0.002% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  65  18.42 +/- 2.20   0.000% *  0.0409% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  14.19 +/- 0.90   0.001% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  14.57 +/- 1.24   0.001% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  17.27 +/- 2.26   0.000% *  0.0186% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  17.43 +/- 1.34   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  15.97 +/- 1.69   0.001% *  0.0132% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  15.91 +/- 2.07   0.001% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  16.53 +/- 1.41   0.000% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  20.85 +/- 1.44   0.000% *  0.0374% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  23.50 +/- 0.93   0.000% *  0.0534% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  23.67 +/- 1.19   0.000% *  0.0503% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  18.38 +/- 1.61   0.000% *  0.0097% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  25.17 +/- 1.62   0.000% *  0.0250% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  22.93 +/- 1.49   0.000% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  23.15 +/- 4.10   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  20.78 +/- 1.70   0.000% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  16.81 +/- 2.37   0.000% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  26.50 +/- 1.43   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  17.84 +/- 1.47   0.000% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  23.65 +/- 4.27   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  22.41 +/- 1.37   0.000% *  0.0048% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  27.35 +/- 1.45   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.16 +/- 1.81   0.000% *  0.0042% (0.08   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 1234 (1.45, 1.38, 25.01 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.3:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  96.889% * 96.9231% (1.00  10.0 10.00   4.42 159.35) =  99.999%  kept
          QB    ALA   61 - HG3   LYS+  65   4.49 +/- 1.80   2.895% *  0.0415% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HG3   LYS+  65   6.13 +/- 1.34   0.167% *  0.0684% (0.71   1.0  1.00   0.02  25.13) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+ 106  10.76 +/- 1.54   0.003% *  0.1766% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  65   8.95 +/- 1.34   0.008% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  33   8.78 +/- 1.02   0.009% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  65   9.30 +/- 1.03   0.007% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  11.80 +/- 1.19   0.001% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  33  17.51 +/- 1.52   0.000% *  0.4815% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  12.33 +/- 1.76   0.001% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  11.37 +/- 1.47   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  10.51 +/- 0.86   0.002% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33  11.07 +/- 2.18   0.003% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  14.75 +/- 1.54   0.000% *  0.0773% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  14.74 +/- 1.98   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  11.57 +/- 1.39   0.002% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  15.28 +/- 3.08   0.001% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  14.31 +/- 2.19   0.001% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  15.99 +/- 1.09   0.000% *  0.0950% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  11.59 +/- 1.70   0.003% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  17.34 +/- 3.39   0.001% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  15.99 +/- 1.29   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  13.29 +/- 1.24   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  14.64 +/- 2.03   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  14.39 +/- 1.26   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  26.91 +/- 1.84   0.000% *  0.7888% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  16.94 +/- 2.71   0.000% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  12.61 +/- 1.73   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  17.20 +/- 3.34   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  12.45 +/- 1.46   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  16.80 +/- 2.96   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  18.51 +/- 2.05   0.000% *  0.0418% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  20.12 +/- 2.62   0.000% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  16.58 +/- 0.80   0.000% *  0.0253% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  16.31 +/- 1.89   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  20.98 +/- 2.60   0.000% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  21.34 +/- 2.03   0.000% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  22.07 +/- 2.10   0.000% *  0.0841% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  19.37 +/- 2.29   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  18.67 +/- 2.56   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  15.77 +/- 1.03   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  20.09 +/- 1.82   0.000% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  21.48 +/- 1.07   0.000% *  0.0510% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  17.37 +/- 2.07   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  22.18 +/- 2.42   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  22.30 +/- 1.63   0.000% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  23.75 +/- 1.68   0.000% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  22.74 +/- 2.26   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  21.24 +/- 2.69   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  23.98 +/- 2.34   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  20.39 +/- 2.10   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  24.24 +/- 2.24   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 = 0.795, support = 4.11, residual support = 160.0:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.49 +/- 0.12  30.276% * 63.6907% (1.00  10.0 10.00   4.00 159.35) =  64.813%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.47 +/- 0.11  31.967% * 29.3443% (0.46  10.0 10.00   4.28 164.30) =  31.529%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.40 +/- 0.17  37.616% *  2.8935% (0.05  10.0  1.00   4.63 135.59) =   3.658%  kept
        T QD    LYS+ 102 - HG3   LYS+ 106   9.57 +/- 1.31   0.016% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  33  10.22 +/- 1.19   0.010% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   8.45 +/- 1.83   0.068% *  0.0142% (0.22   1.0  1.00   0.02   1.70) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 102  11.32 +/- 1.82   0.006% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  65  15.15 +/- 1.37   0.001% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33  10.82 +/- 1.29   0.006% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  33  16.60 +/- 1.44   0.000% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 102  16.91 +/- 1.61   0.000% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  10.72 +/- 1.34   0.006% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  14.42 +/- 1.99   0.001% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106  10.60 +/- 2.96   0.010% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 106  15.50 +/- 1.79   0.001% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  33  17.67 +/- 1.52   0.000% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  14.69 +/- 1.28   0.001% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  65  22.46 +/- 2.51   0.000% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  13.09 +/- 2.07   0.002% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  65  24.99 +/- 1.47   0.000% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  17.34 +/- 2.47   0.000% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  10.69 +/- 0.86   0.006% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  16.52 +/- 1.69   0.001% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  17.76 +/- 3.78   0.000% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 102  25.68 +/- 2.07   0.000% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  65  18.45 +/- 2.16   0.000% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 102  24.98 +/- 1.21   0.000% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  20.12 +/- 1.57   0.000% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  17.42 +/- 1.85   0.000% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  13.89 +/- 0.93   0.001% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  15.35 +/- 1.07   0.001% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  15.44 +/- 1.85   0.001% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  22.76 +/- 4.29   0.000% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  16.59 +/- 2.51   0.000% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  16.77 +/- 0.99   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  21.69 +/- 1.18   0.000% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  21.52 +/- 1.95   0.000% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  24.20 +/- 1.23   0.000% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  23.70 +/- 4.77   0.000% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  18.71 +/- 1.34   0.000% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  20.01 +/- 1.96   0.000% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  31.32 +/- 2.39   0.000% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  22.69 +/- 1.21   0.000% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  23.83 +/- 1.96   0.000% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  22.40 +/- 2.84   0.000% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  19.64 +/- 1.31   0.000% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  25.15 +/- 1.74   0.000% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  26.03 +/- 1.27   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 = 159.3:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.24 +/- 0.30  99.907% * 94.7812% (1.00  10.0 10.00   4.00 159.35) = 100.000%  kept
        T QE    LYS+  99 - HG3   LYS+ 102   9.56 +/- 1.44   0.028% *  0.6511% (0.69   1.0 10.00   0.02   1.70) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  33  11.25 +/- 1.25   0.015% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 102  12.32 +/- 1.85   0.007% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+ 106   9.85 +/- 1.04   0.018% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  33  12.53 +/- 1.88   0.008% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+ 106  10.91 +/- 1.02   0.015% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  33  16.27 +/- 1.82   0.001% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  65  17.38 +/- 0.94   0.001% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  65  23.02 +/- 1.35   0.000% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 106  18.21 +/- 1.18   0.000% *  0.1594% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  65  25.01 +/- 1.05   0.000% *  0.7713% (0.81   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (4.60, 1.68, 29.29 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.3:
    *   T HA    LYS+ 102 - QD    LYS+ 102   3.09 +/- 0.71  98.170% * 99.0980% (1.00 10.00   5.05 159.35) = 100.000%  kept
          HA1   GLY  109 - HD2   LYS+ 111   7.48 +/- 1.76   1.756% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - QD    LYS+  65  23.48 +/- 1.17   0.001% *  0.2505% (0.25 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+  65  15.85 +/- 1.65   0.010% *  0.0209% (0.21  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HD2   LYS+ 111  24.44 +/- 1.95   0.001% *  0.2591% (0.26 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+ 102  20.36 +/- 2.16   0.002% *  0.0828% (0.84  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  13.29 +/- 1.88   0.034% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  19.77 +/- 1.57   0.002% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   LYS+ 111  16.97 +/- 2.49   0.008% *  0.0116% (0.12  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+  65  18.16 +/- 1.97   0.005% *  0.0112% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+  65  21.12 +/- 2.15   0.002% *  0.0162% (0.16  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  20.92 +/- 2.36   0.002% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  21.07 +/- 1.14   0.002% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  25.28 +/- 2.22   0.001% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  21.06 +/- 2.85   0.002% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  28.24 +/- 1.76   0.000% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  28.12 +/- 2.31   0.000% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  25.39 +/- 2.67   0.001% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 0.841, support = 4.81, residual support = 160.4:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.20 +/- 0.33  46.304% * 77.3438% (1.00  10.0 10.00   4.75 159.35) =  78.860%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.12 +/- 0.13  50.074% * 19.1619% (0.25  10.0 10.00   5.04 164.30) =  21.128%  kept
        T HG2   PRO   93 - HD2   LYS+ 111  12.01 +/- 3.39   2.891% *  0.1867% (0.24   1.0 10.00   0.02   0.02) =   0.012%
          HG12  ILE  103 - QD    LYS+ 102   6.12 +/- 1.01   0.227% *  0.0264% (0.34   1.0  1.00   0.02  22.38) =   0.000%
          HB3   GLN   17 - QD    LYS+  65   5.85 +/- 1.73   0.346% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102   9.61 +/- 0.82   0.009% *  0.3765% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.09 +/- 0.51   0.140% *  0.0134% (0.17   1.0  1.00   0.02  25.13) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.04 +/- 1.09   0.001% *  0.0746% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  12.79 +/- 1.82   0.002% *  0.0302% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.22 +/- 1.34   0.000% *  0.7140% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  21.77 +/- 1.18   0.000% *  0.7581% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  17.53 +/- 1.51   0.000% *  0.1805% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.50 +/- 2.23   0.000% *  0.1982% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  17.42 +/- 0.94   0.000% *  0.0952% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.68 +/- 0.78   0.001% *  0.0189% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  11.52 +/- 2.30   0.005% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  21.54 +/- 1.20   0.000% *  0.1955% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  21.26 +/- 3.46   0.000% *  0.1193% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  22.00 +/- 2.17   0.000% *  0.2022% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  17.72 +/- 1.86   0.000% *  0.0312% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  19.38 +/- 1.63   0.000% *  0.0531% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.17 +/- 1.96   0.000% *  0.0984% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  18.02 +/- 2.06   0.000% *  0.0139% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  24.61 +/- 1.34   0.000% *  0.0376% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  24.53 +/- 2.29   0.000% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  20.79 +/- 1.69   0.000% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  21.45 +/- 1.35   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  24.44 +/- 1.48   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  19.56 +/- 1.45   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  25.90 +/- 2.85   0.000% *  0.0098% (0.13   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 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.3:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.22 +/- 0.12  91.376% * 98.4875% (1.00  10.0 10.00   4.42 159.35) =  99.999%  kept
          QB    ALA   61 - QD    LYS+  65   4.83 +/- 1.26   4.079% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - HD2   LYS+ 111   5.64 +/- 1.29   3.597% *  0.0079% (0.08   1.0  1.00   0.02   9.13) =   0.000%
          QG    LYS+  66 - QD    LYS+  65   5.81 +/- 1.18   0.712% *  0.0216% (0.22   1.0  1.00   0.02  25.13) =   0.000%
          HG    LEU   67 - QD    LYS+  65   8.27 +/- 1.36   0.073% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+ 111   9.06 +/- 1.69   0.044% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   8.70 +/- 1.04   0.043% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+ 102  11.46 +/- 1.27   0.007% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   9.39 +/- 1.42   0.030% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+ 102  15.12 +/- 0.95   0.001% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  10.37 +/- 1.40   0.013% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  14.31 +/- 1.82   0.002% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  13.88 +/- 1.24   0.002% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  11.94 +/- 1.09   0.005% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  12.53 +/- 1.39   0.004% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  18.95 +/- 2.53   0.000% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  15.08 +/- 1.14   0.001% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  20.48 +/- 2.14   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  19.25 +/- 1.97   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  19.73 +/- 2.48   0.000% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  14.14 +/- 1.91   0.003% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  17.00 +/- 2.15   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  17.64 +/- 1.97   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  16.41 +/- 2.92   0.002% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  15.95 +/- 2.08   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  17.86 +/- 1.88   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  24.90 +/- 1.65   0.000% *  0.2489% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  25.62 +/- 2.08   0.000% *  0.2575% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  19.79 +/- 1.10   0.000% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  18.21 +/- 2.08   0.000% *  0.0223% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  20.01 +/- 2.05   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  21.28 +/- 2.21   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  21.67 +/- 2.45   0.000% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  22.68 +/- 3.47   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  23.84 +/- 2.69   0.000% *  0.0252% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  23.03 +/- 2.76   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  20.73 +/- 1.61   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  25.37 +/- 2.64   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  26.89 +/- 2.64   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 0.02 A, kept.
 
    Peak 1241 (1.38, 1.68, 29.29 ppm):
    42 chemical-shift based assignments, quality = 0.844, support = 4.06, residual support = 160.4:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.49 +/- 0.12  48.208% * 76.0877% (1.00  10.0 10.00   4.00 159.35) =  79.251%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.47 +/- 0.11  50.943% * 18.8507% (0.25  10.0 10.00   4.28 164.30) =  20.748%  kept
        T HG3   LYS+ 106 - QD    LYS+ 102   9.57 +/- 1.31   0.025% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   93 - HD2   LYS+ 111  12.76 +/- 2.92   0.164% *  0.0818% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+ 102   6.30 +/- 0.76   0.319% *  0.0260% (0.34   1.0  1.00   0.02   2.23) =   0.000%
          HB2   LYS+ 112 - HD2   LYS+ 111   6.55 +/- 1.09   0.211% *  0.0197% (0.26   1.0  1.00   0.02  28.12) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   7.65 +/- 1.08   0.086% *  0.0212% (0.28   1.0  1.00   0.02   2.23) =   0.000%
        T HB3   LEU   73 - QD    LYS+ 102  16.00 +/- 1.05   0.001% *  0.7592% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+ 102  16.60 +/- 1.44   0.001% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  12.83 +/- 2.15   0.022% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD2   LYS+ 111  15.50 +/- 1.79   0.001% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+ 102  13.92 +/- 1.02   0.002% *  0.0746% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+  65  17.67 +/- 1.52   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  12.35 +/- 0.96   0.004% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  15.16 +/- 1.89   0.001% *  0.0286% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+ 102  24.99 +/- 1.47   0.000% *  0.7458% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  65  20.12 +/- 1.57   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  14.13 +/- 1.28   0.002% *  0.0192% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HD2   LYS+ 111  23.56 +/- 2.52   0.000% *  0.1985% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD2   LYS+ 111  22.46 +/- 2.51   0.000% *  0.1950% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  16.69 +/- 2.03   0.001% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.18 +/- 1.74   0.003% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65  13.06 +/- 1.72   0.003% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  24.98 +/- 1.21   0.000% *  0.1923% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  25.68 +/- 2.07   0.000% *  0.1989% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  18.79 +/- 3.98   0.000% *  0.0151% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  16.05 +/- 1.34   0.001% *  0.0079% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.03 +/- 1.04   0.000% *  0.0313% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  23.94 +/- 1.59   0.000% *  0.0754% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  18.86 +/- 2.58   0.001% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  23.32 +/- 2.71   0.000% *  0.0461% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  20.63 +/- 2.11   0.000% *  0.0195% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  17.20 +/- 0.97   0.000% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  31.32 +/- 2.39   0.000% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  20.33 +/- 1.07   0.000% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  19.99 +/- 1.26   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  19.08 +/- 1.26   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  20.35 +/- 1.64   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.22 +/- 1.70   0.000% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.18 +/- 1.71   0.000% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  23.62 +/- 2.46   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  30.90 +/- 3.13   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 = 159.3:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.12 +/- 0.02  99.974% * 97.1326% (1.00  10.0 10.00   4.00 159.35) = 100.000%  kept
        T QE    LYS+  99 - QD    LYS+ 102   9.41 +/- 1.29   0.019% *  0.6672% (0.69   1.0 10.00   0.02   1.70) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 102  11.86 +/- 1.80   0.006% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - QD    LYS+  65  16.14 +/- 1.03   0.001% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+  65  20.88 +/- 1.20   0.000% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  21.47 +/- 2.50   0.000% *  0.1744% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  23.04 +/- 1.94   0.000% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  23.10 +/- 1.11   0.000% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  29.85 +/- 2.60   0.000% *  0.2344% (0.24   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 1244 (4.60, 3.02, 42.50 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.3:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.19 +/- 0.29  99.718% * 98.6090% (1.00 10.00   5.05 159.35) =  99.998%  kept
        T HA    LYS+ 102 - QE    LYS+  99   9.10 +/- 0.49   0.223% *  0.6725% (0.68 10.00   0.02   1.70) =   0.002%
        T HA    LYS+ 102 - QE    LYS+  38  12.42 +/- 1.41   0.038% *  0.2257% (0.23 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  99  18.15 +/- 1.81   0.004% *  0.0562% (0.57  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+ 102  19.86 +/- 2.45   0.002% *  0.0824% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+ 102  19.87 +/- 1.29   0.002% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  20.12 +/- 1.05   0.002% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  18.17 +/- 0.64   0.003% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  20.20 +/- 1.88   0.002% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  20.66 +/- 1.55   0.002% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  25.04 +/- 2.38   0.001% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  24.46 +/- 2.01   0.001% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  27.91 +/- 2.15   0.000% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  28.01 +/- 0.85   0.000% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  21.56 +/- 0.82   0.001% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  28.03 +/- 1.69   0.000% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  30.85 +/- 1.74   0.000% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  33.89 +/- 0.95   0.000% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 0.998, support = 4.74, residual support = 159.1:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.82 +/- 0.41  96.229% * 91.3239% (1.00 10.00   4.75 159.35) =  99.834%  kept
          HG12  ILE  103 - QE    LYS+ 102   6.01 +/- 0.82   2.279% *  6.2072% (0.34  1.00   3.99  22.38) =   0.161%
        T QB    LYS+ 102 - QE    LYS+  99   7.63 +/- 1.22   0.408% *  0.6228% (0.68 10.00   0.02   1.70) =   0.003%
        T HB    VAL   41 - QE    LYS+  99   7.53 +/- 0.77   0.429% *  0.3032% (0.33 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QE    LYS+ 102   9.49 +/- 1.07   0.131% *  0.4445% (0.49 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - QE    LYS+  38  10.69 +/- 1.87   0.078% *  0.2090% (0.23 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  99   8.40 +/- 0.71   0.190% *  0.0601% (0.66  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+  38  11.79 +/- 0.66   0.024% *  0.1018% (0.11 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  99  11.83 +/- 1.35   0.052% *  0.0428% (0.47  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  99  10.11 +/- 0.81   0.067% *  0.0212% (0.23  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+ 102  13.91 +/- 1.10   0.011% *  0.0881% (0.97  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  13.51 +/- 4.74   0.056% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  99  14.82 +/- 0.93   0.007% *  0.0610% (0.67  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  38  12.09 +/- 0.76   0.021% *  0.0202% (0.22  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  19.54 +/- 1.40   0.001% *  0.0627% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  21.12 +/- 1.44   0.001% *  0.0843% (0.92  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  17.88 +/- 1.29   0.002% *  0.0303% (0.33  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  21.81 +/- 0.87   0.001% *  0.0895% (0.98  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  20.67 +/- 1.31   0.001% *  0.0575% (0.63  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  15.27 +/- 0.97   0.005% *  0.0071% (0.08  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  17.81 +/- 1.48   0.002% *  0.0144% (0.16  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  20.08 +/- 1.12   0.001% *  0.0205% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  24.49 +/- 1.30   0.000% *  0.0445% (0.49  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  21.65 +/- 3.29   0.001% *  0.0141% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  22.03 +/- 1.57   0.001% *  0.0102% (0.11  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  21.44 +/- 4.22   0.001% *  0.0032% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  24.36 +/- 1.35   0.000% *  0.0141% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  23.93 +/- 1.34   0.000% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  27.75 +/- 1.21   0.000% *  0.0193% (0.21  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  31.26 +/- 1.22   0.000% *  0.0032% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.998, support = 4.4, residual support = 158.6:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.07 +/- 0.34  83.290% * 95.3913% (1.00  10.0 10.00   4.42 159.35) =  99.491%  kept
          HG    LEU   40 - QE    LYS+  99   4.42 +/- 0.68  15.785% *  2.5620% (0.55   1.0  1.00   0.98  11.46) =   0.506%  kept
        T HG2   LYS+ 102 - QE    LYS+  99   9.23 +/- 1.67   0.293% *  0.6505% (0.68   1.0 10.00   0.02   1.70) =   0.002%
        T HG2   LYS+ 102 - QE    LYS+  38  12.08 +/- 1.80   0.058% *  0.2184% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  99  10.13 +/- 2.03   0.147% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  99  11.10 +/- 2.11   0.144% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+ 102  11.68 +/- 0.93   0.032% *  0.0764% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  99  11.73 +/- 0.95   0.033% *  0.0638% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  99  12.96 +/- 1.64   0.020% *  0.0564% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  11.76 +/- 3.10   0.058% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  38  11.51 +/- 1.00   0.051% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+ 102  14.85 +/- 1.31   0.008% *  0.0935% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  99  15.97 +/- 1.99   0.006% *  0.0521% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  99  15.00 +/- 0.58   0.007% *  0.0342% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  17.05 +/- 2.12   0.004% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  19.06 +/- 2.27   0.002% *  0.0655% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  15.33 +/- 0.62   0.006% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+ 102  19.43 +/- 1.69   0.002% *  0.0764% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  38  15.67 +/- 1.66   0.008% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  15.83 +/- 2.18   0.007% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+ 102  19.84 +/- 2.29   0.002% *  0.0655% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+ 102  20.64 +/- 1.96   0.001% *  0.0827% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  17.95 +/- 1.80   0.003% *  0.0294% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  16.40 +/- 2.46   0.005% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  17.37 +/- 1.99   0.003% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  17.42 +/- 1.81   0.004% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  16.74 +/- 1.51   0.004% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+ 102  19.73 +/- 0.88   0.001% *  0.0502% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  18.90 +/- 1.97   0.002% *  0.0189% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  19.27 +/- 1.30   0.002% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  20.19 +/- 2.04   0.001% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  20.98 +/- 2.12   0.001% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  20.19 +/- 0.91   0.001% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  18.80 +/- 2.47   0.003% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  18.82 +/- 2.48   0.002% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  24.17 +/- 1.35   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  22.37 +/- 1.35   0.001% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  24.01 +/- 2.18   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  24.67 +/- 1.74   0.000% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.3:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.24 +/- 0.30  98.936% * 93.0940% (1.00  10.0 10.00   4.00 159.35) =  99.999%  kept
        T HG3   LYS+ 102 - QE    LYS+  99   9.56 +/- 1.44   0.028% *  0.6349% (0.68   1.0 10.00   0.02   1.70) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+ 102   9.85 +/- 1.04   0.018% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+ 102   6.31 +/- 0.99   0.346% *  0.0318% (0.34   1.0  1.00   0.02   2.23) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  99  10.91 +/- 1.02   0.014% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  99   6.57 +/- 0.37   0.224% *  0.0217% (0.23   1.0  1.00   0.02  17.63) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  99  12.53 +/- 1.88   0.007% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  99   8.40 +/- 0.62   0.065% *  0.0622% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 102   7.65 +/- 1.32   0.140% *  0.0259% (0.28   1.0  1.00   0.02   2.23) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  38  11.25 +/- 1.25   0.015% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  99   8.41 +/- 0.69   0.090% *  0.0177% (0.19   1.0  1.00   0.02  17.63) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  38  12.32 +/- 1.85   0.006% *  0.2131% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+ 102  16.27 +/- 1.82   0.001% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  11.49 +/- 5.17   0.070% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  99  17.38 +/- 0.94   0.001% *  0.6223% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+ 102  13.92 +/- 0.74   0.003% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  99  13.36 +/- 0.96   0.004% *  0.0633% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+ 102  15.67 +/- 1.70   0.002% *  0.0929% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  38  18.21 +/- 1.18   0.000% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  10.57 +/- 0.84   0.012% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  14.72 +/- 1.94   0.002% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+ 102  25.01 +/- 1.05   0.000% *  0.9125% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  14.37 +/- 0.88   0.002% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  17.87 +/- 2.24   0.001% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  38  23.02 +/- 1.35   0.000% *  0.2089% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  13.59 +/- 1.12   0.004% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  17.06 +/- 0.92   0.001% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  20.90 +/- 1.68   0.000% *  0.0629% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  19.18 +/- 3.82   0.001% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  18.20 +/- 1.07   0.001% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  17.53 +/- 2.53   0.001% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  17.03 +/- 5.09   0.002% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  19.01 +/- 1.08   0.000% *  0.0261% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  19.91 +/- 1.20   0.000% *  0.0383% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  23.02 +/- 2.61   0.000% *  0.0565% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  24.14 +/- 1.39   0.000% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  17.62 +/- 0.75   0.001% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  19.96 +/- 1.49   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  21.73 +/- 1.30   0.000% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  21.66 +/- 0.84   0.000% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  29.24 +/- 1.35   0.000% *  0.0211% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  25.97 +/- 1.08   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.777, support = 4.01, residual support = 169.7:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.12 +/- 0.02  31.280% * 72.2175% (1.00  10.0 10.00   4.00 159.35) =  73.168%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.09 +/- 0.03  33.792% * 13.2369% (0.18  10.0  1.00   3.74 219.14) =  14.488%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.08 +/- 0.02  34.754% * 10.9650% (0.15  10.0 10.00   4.35 173.01) =  12.343%  kept
          QD    LYS+  38 - QE    LYS+  99   6.52 +/- 1.22   0.115% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  99   9.41 +/- 1.29   0.006% *  0.4925% (0.68   1.0 10.00   0.02   1.70) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   8.77 +/- 1.38   0.011% *  0.1608% (0.22   1.0 10.00   0.02   1.70) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   9.58 +/- 1.07   0.005% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   7.69 +/- 1.11   0.020% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  38  11.86 +/- 1.80   0.002% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.28 +/- 1.02   0.002% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QE    LYS+ 102  11.13 +/- 1.77   0.003% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99  10.80 +/- 3.47   0.005% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  13.10 +/- 4.93   0.003% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  99  16.14 +/- 1.03   0.000% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  15.06 +/- 2.20   0.000% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  21.47 +/- 2.50   0.000% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.35 +/- 1.06   0.001% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+ 102  23.04 +/- 1.94   0.000% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  16.71 +/- 3.14   0.000% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 102  23.10 +/- 1.11   0.000% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  15.52 +/- 1.53   0.000% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.63 +/- 1.32   0.000% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  20.88 +/- 1.20   0.000% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  21.30 +/- 3.48   0.000% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  18.68 +/- 1.05   0.000% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  21.60 +/- 1.33   0.000% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  20.03 +/- 1.38   0.000% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  21.16 +/- 1.23   0.000% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  21.07 +/- 4.32   0.000% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  21.21 +/- 0.87   0.000% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.04 +/- 0.70   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  19.42 +/- 2.32   0.000% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  29.85 +/- 2.60   0.000% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  21.95 +/- 1.45   0.000% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  28.06 +/- 1.12   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  28.11 +/- 0.82   0.000% *  0.0094% (0.13   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 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 = 0.727, support = 5.77, residual support = 135.6:
    * O T HB    ILE  103 - HA    ILE  103   2.95 +/- 0.04  27.071% * 82.5223% (1.00  10.0 10.00   5.66 135.65) =  65.950%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.50 +/- 0.23  70.623% * 16.3310% (0.20  10.0 10.00   5.98 135.65) =  34.048%  kept
          QB    LYS+ 106 - HA    ILE  103   6.48 +/- 0.82   0.274% *  0.0661% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    ILE  103   7.09 +/- 0.75   0.213% *  0.0818% (0.99   1.0  1.00   0.02   2.59) =   0.001%
          HB3   LYS+  38 - HA    THR   39   4.68 +/- 0.21   1.714% *  0.0068% (0.08   1.0  1.00   0.02  27.76) =   0.000%
          QB    LYS+  33 - HA    THR   39   8.11 +/- 0.54   0.071% *  0.0258% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    THR   39  11.07 +/- 1.44   0.015% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE  103 - HA    THR   39  15.30 +/- 0.58   0.001% *  0.2726% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE  103  14.52 +/- 0.91   0.002% *  0.0781% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  13.89 +/- 0.96   0.003% *  0.0270% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE  103  18.09 +/- 2.30   0.001% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  13.81 +/- 0.68   0.003% *  0.0206% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE  103  18.72 +/- 1.33   0.000% *  0.0689% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  19.07 +/- 1.96   0.000% *  0.0740% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  15.59 +/- 0.75   0.001% *  0.0218% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  18.57 +/- 3.56   0.001% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  17.34 +/- 4.89   0.002% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  18.91 +/- 1.32   0.000% *  0.0310% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  14.21 +/- 0.84   0.002% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  24.56 +/- 1.25   0.000% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  21.78 +/- 1.24   0.000% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  24.74 +/- 0.63   0.000% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  23.35 +/- 1.77   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  28.02 +/- 1.30   0.000% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  28.44 +/- 0.84   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  28.44 +/- 1.46   0.000% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (0.98, 4.28, 62.30 ppm):
    16 chemical-shift based assignments, quality = 0.951, support = 5.3, residual support = 135.6:
    * O T QG2   ILE  103 - HA    ILE  103   2.71 +/- 0.11  78.903% * 68.5552% (1.00  10.0 10.00   5.33 135.65) =  91.178%  kept
        T QD1   ILE  103 - HA    ILE  103   3.58 +/- 0.33  17.025% * 30.7355% (0.45   1.0 10.00   4.92 135.65) =   8.820%  kept
          QD2   LEU   40 - HA    ILE  103   5.51 +/- 0.47   1.305% *  0.0662% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HA    THR   39   5.56 +/- 0.74   1.746% *  0.0128% (0.19   1.0  1.00   0.02   0.23) =   0.000%
          QD2   LEU   40 - HA    THR   39   5.86 +/- 0.30   0.862% *  0.0219% (0.32   1.0  1.00   0.02  23.64) =   0.000%
          QD1   LEU   67 - HA    THR   39   9.36 +/- 1.60   0.097% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.80 +/- 0.47   0.007% *  0.2265% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  13.21 +/- 2.65   0.016% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE  103 - HA    THR   39  13.47 +/- 0.74   0.006% *  0.1015% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.26 +/- 0.59   0.010% *  0.0388% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  13.36 +/- 1.01   0.006% *  0.0282% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  14.05 +/- 2.60   0.007% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.39 +/- 0.86   0.001% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  14.34 +/- 3.01   0.007% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  19.21 +/- 0.75   0.001% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  17.48 +/- 0.37   0.001% *  0.0093% (0.14   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 1253 (0.96, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.549, support = 5.15, residual support = 135.6:
      O T QG2   ILE  103 - HA    ILE  103   2.71 +/- 0.11  78.909% * 21.1374% (0.25  10.0 10.00   5.33 135.65) =  55.592%  kept
    *   T QD1   ILE  103 - HA    ILE  103   3.58 +/- 0.33  17.026% * 78.2519% (0.92   1.0 10.00   4.92 135.65) =  44.406%  kept
          QD2   LEU   71 - HA    THR   39   5.56 +/- 0.74   1.746% *  0.0234% (0.28   1.0  1.00   0.02   0.23) =   0.001%
          QD2   LEU   40 - HA    ILE  103   5.51 +/- 0.47   1.305% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    THR   39   5.86 +/- 0.30   0.862% *  0.0043% (0.05   1.0  1.00   0.02  23.64) =   0.000%
        T QD1   ILE  103 - HA    THR   39  13.47 +/- 0.74   0.006% *  0.2585% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.26 +/- 0.59   0.010% *  0.0708% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  14.05 +/- 2.60   0.007% *  0.0846% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.80 +/- 0.47   0.007% *  0.0698% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   9.36 +/- 1.60   0.097% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  13.21 +/- 2.65   0.016% *  0.0148% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  14.34 +/- 3.01   0.007% *  0.0279% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.39 +/- 0.86   0.001% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  19.21 +/- 0.75   0.001% *  0.0096% (0.11   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 1254 (4.28, 1.86, 38.31 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 135.6:
    * O T HA    ILE  103 - HB    ILE  103   2.95 +/- 0.04  99.941% * 98.6567% (1.00  10.0 10.00   5.66 135.65) = 100.000%  kept
        T HA    THR   39 - HB    ILE  103  15.30 +/- 0.58   0.005% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    ILE  103  12.85 +/- 0.85   0.017% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB    ILE  103  12.50 +/- 2.24   0.025% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    ILE  103  15.32 +/- 2.21   0.007% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    ILE  103  18.01 +/- 1.66   0.002% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    ILE  103  22.29 +/- 1.28   0.001% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  20.38 +/- 1.05   0.001% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  25.72 +/- 1.66   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  31.81 +/- 3.22   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  27.45 +/- 2.33   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  30.35 +/- 2.67   0.000% *  0.0305% (0.31   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 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 = 0.877, support = 4.2, residual support = 135.6:
    * O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.01  60.905% * 68.8462% (1.00  10.0 10.00   4.05 135.65) =  77.665%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.31 +/- 0.24  39.067% * 30.8659% (0.45  10.0 10.00   4.73 135.65) =  22.335%  kept
          QD2   LEU   40 - HB    ILE  103   7.86 +/- 0.45   0.025% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  15.40 +/- 2.74   0.001% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.52 +/- 0.63   0.001% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  14.48 +/- 1.19   0.001% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.66 +/- 2.26   0.001% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.00 +/- 0.95   0.000% *  0.0675% (0.98   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 1257 (0.96, 1.86, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 4.53, residual support = 135.6:
    * O T QD1   ILE  103 - HB    ILE  103   2.31 +/- 0.24  39.067% * 78.5650% (0.92  10.0 10.00   4.73 135.65) =  70.367%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.01  60.906% * 21.2220% (0.25  10.0 10.00   4.05 135.65) =  29.633%  kept
          QD2   LEU   40 - HB    ILE  103   7.86 +/- 0.45   0.025% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.66 +/- 2.26   0.001% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.52 +/- 0.63   0.001% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  15.40 +/- 2.74   0.001% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.00 +/- 0.95   0.000% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (4.28, 0.98, 18.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.33, residual support = 135.6:
    * O T HA    ILE  103 - QG2   ILE  103   2.71 +/- 0.11  99.896% * 98.6567% (1.00  10.0 10.00   5.33 135.65) = 100.000%  kept
        T HA    THR   39 - QG2   ILE  103  12.80 +/- 0.47   0.009% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   ILE  103   9.75 +/- 0.83   0.052% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   ILE  103  13.17 +/- 1.74   0.009% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   ILE  103  11.34 +/- 1.76   0.024% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   ILE  103  14.70 +/- 1.33   0.004% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  15.61 +/- 0.85   0.003% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   ILE  103  18.73 +/- 1.03   0.001% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  20.19 +/- 1.45   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  26.56 +/- 2.66   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  22.51 +/- 1.72   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  25.20 +/- 2.12   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (1.86, 0.98, 18.17 ppm):
    13 chemical-shift based assignments, quality = 0.986, support = 4.07, residual support = 135.6:
    * O T HB    ILE  103 - QG2   ILE  103   2.12 +/- 0.01  86.709% * 82.9317% (1.00  10.0 10.00   4.05 135.65) =  98.226%  kept
      O T HG12  ILE  103 - QG2   ILE  103   3.18 +/- 0.12   7.889% * 16.4121% (0.20  10.0 10.00   5.32 135.65) =   1.769%  kept
          QB    LYS+ 106 - QG2   ILE  103   3.79 +/- 0.75   4.768% *  0.0664% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - QG2   ILE  103   5.26 +/- 0.55   0.627% *  0.0822% (0.99   1.0  1.00   0.02   2.59) =   0.001%
          QB    LYS+  33 - QG2   ILE  103  14.33 +/- 0.70   0.001% *  0.0785% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  14.80 +/- 1.80   0.001% *  0.0744% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE  103  16.31 +/- 2.22   0.001% *  0.0827% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE  103  15.65 +/- 1.15   0.001% *  0.0693% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  15.54 +/- 2.46   0.001% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  14.92 +/- 1.28   0.001% *  0.0311% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  13.92 +/- 0.55   0.001% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  16.91 +/- 1.24   0.000% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  19.93 +/- 1.01   0.000% *  0.0827% (1.00   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 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 = 4.92, residual support = 135.6:
    *   T HA    ILE  103 - QD1   ILE  103   3.58 +/- 0.33  98.400% * 98.6567% (0.92 10.00   4.92 135.65) =  99.999%  kept
          HA    ASP-  44 - QD1   ILE  103   9.08 +/- 0.64   0.470% *  0.0933% (0.87  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QD1   ILE  103  13.47 +/- 0.74   0.037% *  0.7164% (0.67 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   ILE  103   8.59 +/- 1.77   0.789% *  0.0274% (0.26  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   ILE  103  10.67 +/- 1.71   0.199% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   ILE  103  12.71 +/- 1.32   0.065% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD1   ILE  103  16.42 +/- 1.08   0.012% *  0.0790% (0.74  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  15.55 +/- 1.05   0.018% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD1   ILE  103  19.51 +/- 1.41   0.005% *  0.0598% (0.56  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   ILE  103  26.16 +/- 2.66   0.001% *  0.0911% (0.85  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  22.31 +/- 1.90   0.002% *  0.0220% (0.21  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  24.81 +/- 2.29   0.001% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.759, support = 4.7, residual support = 135.6:
    * O T HB    ILE  103 - QD1   ILE  103   2.31 +/- 0.24  39.683% * 82.9317% (0.92  10.0 10.00   4.73 135.65) =  77.803%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.15 +/- 0.01  57.195% * 16.4121% (0.18  10.0 10.00   4.62 135.65) =  22.192%  kept
          QB    LYS+ 106 - QD1   ILE  103   4.41 +/- 1.09   3.070% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.005%
          HB3   ASP- 105 - QD1   ILE  103   7.56 +/- 0.82   0.046% *  0.0822% (0.91   1.0  1.00   0.02   2.59) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  12.88 +/- 1.69   0.002% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE  103  13.37 +/- 1.14   0.001% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE  103  13.67 +/- 0.95   0.001% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  17.57 +/- 2.20   0.000% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  15.25 +/- 1.48   0.001% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  14.58 +/- 0.91   0.001% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  16.54 +/- 1.10   0.000% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  19.58 +/- 1.34   0.000% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  17.36 +/- 2.31   0.000% *  0.0341% (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 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 = 217.8:
    * O T HB2   LEU  104 - HA    LEU  104   2.99 +/- 0.06  99.913% * 99.7433% (0.87  10.0 10.00   5.98 217.85) = 100.000%  kept
          QG2   VAL  108 - HA    LEU  104  10.30 +/- 0.55   0.065% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HA    LEU  104  13.61 +/- 1.83   0.015% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  15.67 +/- 1.79   0.006% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU  104  20.80 +/- 1.23   0.001% *  0.0605% (0.52   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 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 217.8:
    * O T HB3   LEU  104 - HA    LEU  104   2.53 +/- 0.14  99.956% * 99.4463% (0.76  10.0 10.00   5.31 217.85) = 100.000%  kept
          QG1   VAL   70 - HA    LEU  104  10.58 +/- 1.14   0.025% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  104  12.78 +/- 0.90   0.007% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU  104  14.02 +/- 2.87   0.007% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  104  15.74 +/- 1.07   0.002% *  0.1167% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  104  15.27 +/- 1.63   0.002% *  0.0535% (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 1269 (1.53, 4.32, 55.17 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.83, residual support = 217.8:
    * O T HG    LEU  104 - HA    LEU  104   3.36 +/- 0.24  98.078% * 99.5259% (1.00  10.0 10.00   5.83 217.85) =  99.999%  kept
          HB3   LYS+ 121 - HA    LEU  104  10.28 +/- 4.04   0.623% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    LEU  104  10.90 +/- 4.37   1.272% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LEU  104  17.57 +/- 2.94   0.008% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    LEU  104  18.15 +/- 2.22   0.006% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LEU  104  21.25 +/- 0.85   0.002% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  19.11 +/- 1.79   0.004% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU  104  17.91 +/- 1.15   0.005% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  22.13 +/- 1.41   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 217.8:
    *   T QD1   LEU  104 - HA    LEU  104   3.43 +/- 0.52  99.745% * 98.8828% (0.96 10.00   5.31 217.85) =  99.999%  kept
        T QD1   LEU   63 - HA    LEU  104  12.14 +/- 1.52   0.095% *  0.4212% (0.41 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU  104  12.56 +/- 0.88   0.050% *  0.4212% (0.41 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU  104  13.26 +/- 1.72   0.054% *  0.0783% (0.76  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  104  14.98 +/- 1.30   0.021% *  0.0889% (0.87  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  104  16.35 +/- 1.05   0.012% *  0.0820% (0.80  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HA    LEU  104  14.60 +/- 0.92   0.023% *  0.0255% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.89, residual support = 217.8:
    *   T QD2   LEU  104 - HA    LEU  104   2.05 +/- 0.35  99.704% * 98.7440% (1.00 10.00   5.89 217.85) =  99.999%  kept
        T QD1   LEU   98 - HA    LEU  104   6.24 +/- 0.48   0.236% *  0.3048% (0.31 10.00   0.02   7.72) =   0.001%
        T QG1   VAL   41 - HA    LEU  104   8.78 +/- 0.82   0.042% *  0.1954% (0.20 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    LEU  104   9.67 +/- 1.10   0.017% *  0.0337% (0.34  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HA    LEU  104  17.02 +/- 0.76   0.001% *  0.5590% (0.56 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU  104  18.41 +/- 1.24   0.000% *  0.0953% (0.96  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    LEU  104  17.74 +/- 1.03   0.001% *  0.0678% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 217.8:
    * O T HA    LEU  104 - HB2   LEU  104   2.99 +/- 0.06  99.988% * 99.7454% (0.87  10.0 10.00   5.98 217.85) = 100.000%  kept
          HA    TRP   87 - HB2   LEU  104  15.02 +/- 2.24   0.009% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   LEU  104  17.90 +/- 1.97   0.003% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   LEU  104  24.03 +/- 2.43   0.001% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  27.30 +/- 2.48   0.000% *  0.0647% (0.56   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 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 = 217.8:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  99.981% * 99.4463% (0.66  10.0 10.00   5.43 217.85) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  104   8.29 +/- 1.12   0.014% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU  104  12.38 +/- 3.40   0.002% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  104  10.80 +/- 0.88   0.002% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  104  13.72 +/- 1.02   0.000% *  0.1167% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  12.80 +/- 1.65   0.001% *  0.0535% (0.36   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 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 217.8:
    * O T HG    LEU  104 - HB2   LEU  104   2.37 +/- 0.17  99.121% * 99.5259% (0.87  10.0 10.00   6.00 217.85) = 100.000%  kept
          HB3   LYS+ 121 - HB2   LEU  104   9.01 +/- 4.47   0.259% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  104   9.87 +/- 4.58   0.614% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB2   LEU  104  15.94 +/- 2.04   0.002% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LEU  104  17.07 +/- 2.99   0.001% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  17.08 +/- 1.73   0.001% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   LEU  104  19.20 +/- 1.15   0.000% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  16.31 +/- 1.02   0.001% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  19.45 +/- 1.34   0.000% *  0.0248% (0.22   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 1276 (0.60, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.43, residual support = 217.8:
    * O T QD1   LEU  104 - HB2   LEU  104   2.65 +/- 0.29  99.875% * 98.8828% (0.84  10.0 10.00   5.43 217.85) = 100.000%  kept
        T QD1   LEU   63 - HB2   LEU  104  10.22 +/- 1.57   0.050% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU  104  10.84 +/- 0.81   0.034% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU  104  11.94 +/- 2.31   0.028% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  104  14.41 +/- 1.19   0.005% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  104  15.35 +/- 1.07   0.003% *  0.0820% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  14.18 +/- 0.90   0.005% *  0.0255% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.25, residual support = 217.8:
    * O T QD2   LEU  104 - HB2   LEU  104   3.03 +/- 0.28  95.745% * 99.0156% (0.87  10.0 10.00   6.25 217.85) =  99.997%  kept
        T QG1   VAL   41 - HB2   LEU  104   7.32 +/- 0.84   0.819% *  0.1960% (0.17   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   98 - HB2   LEU  104   5.61 +/- 0.63   3.090% *  0.0306% (0.27   1.0  1.00   0.02   7.72) =   0.001%
          QG1   VAL   43 - HB2   LEU  104   8.36 +/- 1.10   0.328% *  0.0338% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB2   LEU  104  14.97 +/- 0.83   0.008% *  0.5606% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB2   LEU  104  16.26 +/- 1.38   0.005% *  0.0956% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB2   LEU  104  16.38 +/- 1.03   0.004% *  0.0680% (0.60   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 1278 (4.32, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 217.8:
    * O T HA    LEU  104 - HB3   LEU  104   2.53 +/- 0.14  99.997% * 99.7454% (0.76  10.0 10.00   5.31 217.85) = 100.000%  kept
          HA    TRP   87 - HB3   LEU  104  15.99 +/- 2.25   0.002% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  18.98 +/- 2.02   0.001% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   LEU  104  25.05 +/- 2.54   0.000% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  28.32 +/- 2.56   0.000% *  0.0647% (0.49   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 1279 (1.04, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.663, support = 5.43, residual support = 217.8:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  99.996% * 99.7433% (0.66  10.0 10.00   5.43 217.85) = 100.000%  kept
          QG2   VAL  108 - HB3   LEU  104  10.78 +/- 0.52   0.002% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  12.40 +/- 2.22   0.001% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  13.95 +/- 1.47   0.000% *  0.0201% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  20.05 +/- 1.56   0.000% *  0.0605% (0.40   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 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 = 5.27, residual support = 217.8:
    * O T HG    LEU  104 - HB3   LEU  104   2.90 +/- 0.19  94.488% * 99.5259% (0.76  10.0 10.00   5.27 217.85) =  99.997%  kept
          HB3   LYS+ 121 - HB3   LEU  104   8.55 +/- 4.51   1.504% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HB3   LEU  104   9.39 +/- 4.62   3.993% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HB3   LEU  104  16.23 +/- 1.98   0.006% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   LEU  104  17.30 +/- 3.15   0.003% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  20.53 +/- 1.15   0.001% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  18.26 +/- 2.07   0.002% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB3   LEU  104  17.51 +/- 1.20   0.002% *  0.0197% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  20.29 +/- 1.19   0.001% *  0.0248% (0.19   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 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.738, support = 5.0, residual support = 217.8:
    * O T QD1   LEU  104 - HB3   LEU  104   2.26 +/- 0.24  99.970% * 98.8828% (0.74  10.0 10.00   5.00 217.85) = 100.000%  kept
        T QD1   LEU   63 - HB3   LEU  104  10.84 +/- 1.29   0.012% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU  104  12.04 +/- 1.06   0.008% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU  104  12.35 +/- 2.09   0.006% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU  104  15.57 +/- 1.38   0.002% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  104  16.57 +/- 1.21   0.001% *  0.0820% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  15.15 +/- 0.85   0.001% *  0.0255% (0.19   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 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 5.41, residual support = 217.8:
    * O T QD2   LEU  104 - HB3   LEU  104   2.71 +/- 0.28  98.897% * 99.0156% (0.76  10.0 10.00   5.41 217.85) =  99.999%  kept
        T QG1   VAL   41 - HB3   LEU  104   8.36 +/- 1.06   0.238% *  0.1960% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB3   LEU  104   6.70 +/- 0.66   0.775% *  0.0306% (0.24   1.0  1.00   0.02   7.72) =   0.000%
          QG1   VAL   43 - HB3   LEU  104   9.61 +/- 1.13   0.083% *  0.0338% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB3   LEU  104  15.97 +/- 0.82   0.003% *  0.5606% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB3   LEU  104  17.31 +/- 1.41   0.002% *  0.0956% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB3   LEU  104  17.48 +/- 1.22   0.002% *  0.0680% (0.52   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 1284 (4.32, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.83, residual support = 217.8:
    * O T HA    LEU  104 - HG    LEU  104   3.36 +/- 0.24  99.976% * 99.7454% (1.00  10.0 10.00   5.83 217.85) = 100.000%  kept
          HA    TRP   87 - HG    LEU  104  15.43 +/- 2.34   0.017% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG    LEU  104  17.97 +/- 2.11   0.006% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG    LEU  104  24.25 +/- 2.93   0.001% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  27.22 +/- 2.63   0.001% *  0.0647% (0.65   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 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 217.8:
    * O T HB2   LEU  104 - HG    LEU  104   2.37 +/- 0.17  99.982% * 99.7433% (0.87  10.0 10.00   6.00 217.85) = 100.000%  kept
          QG2   VAL  108 - HG    LEU  104  11.70 +/- 0.66   0.009% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU  104  13.35 +/- 2.52   0.005% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HG    LEU  104  14.62 +/- 1.93   0.003% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HG    LEU  104  21.48 +/- 1.39   0.000% *  0.0605% (0.53   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 1286 (0.86, 1.53, 26.82 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.27, residual support = 217.8:
    * O T HB3   LEU  104 - HG    LEU  104   2.90 +/- 0.19  99.700% * 99.4463% (0.76  10.0 10.00   5.27 217.85) = 100.000%  kept
          QG1   VAL   70 - HG    LEU  104   8.75 +/- 1.23   0.196% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  104  10.58 +/- 1.09   0.055% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HG    LEU  104  13.42 +/- 3.58   0.029% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  104  14.43 +/- 1.17   0.008% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  104  14.03 +/- 1.79   0.014% *  0.0535% (0.41   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 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 = 5.27, residual support = 217.8:
    * O T QD1   LEU  104 - HG    LEU  104   2.12 +/- 0.02  99.982% * 98.8828% (0.97  10.0 10.00   5.27 217.85) = 100.000%  kept
        T QD1   LEU   73 - HG    LEU  104  10.83 +/- 1.20   0.007% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HG    LEU  104  11.43 +/- 1.68   0.006% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  13.47 +/- 2.19   0.003% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  104  14.50 +/- 1.24   0.001% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  15.59 +/- 1.20   0.001% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  15.01 +/- 0.97   0.001% *  0.0255% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1289 (0.73, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.88, residual support = 217.8:
    * O T QD2   LEU  104 - HG    LEU  104   2.13 +/- 0.01  99.223% * 99.0156% (1.00  10.0 10.00   5.88 217.85) =  99.999%  kept
        T QG1   VAL   41 - HG    LEU  104   6.66 +/- 1.12   0.163% *  0.1960% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU  104   5.57 +/- 0.83   0.583% *  0.0306% (0.31   1.0  1.00   0.02   7.72) =   0.000%
          QG1   VAL   43 - HG    LEU  104   8.81 +/- 1.35   0.030% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HG    LEU  104  15.78 +/- 0.98   0.001% *  0.5606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HG    LEU  104  16.51 +/- 1.32   0.001% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU  104  17.29 +/- 1.11   0.000% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 217.8:
    *   T HA    LEU  104 - QD1   LEU  104   3.43 +/- 0.52  99.200% * 99.2875% (0.96 10.00   5.31 217.85) = 100.000%  kept
        T HA    LEU  104 - QD1   LEU   63  12.14 +/- 1.52   0.095% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QD1   LEU   73  12.56 +/- 0.88   0.050% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   73  12.67 +/- 2.37   0.435% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU  104  14.38 +/- 1.89   0.027% *  0.0446% (0.43  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU  104  16.51 +/- 1.72   0.011% *  0.0684% (0.66  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU  104  20.42 +/- 2.77   0.009% *  0.0760% (0.74  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  13.12 +/- 0.88   0.043% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  14.90 +/- 2.45   0.037% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  12.91 +/- 1.24   0.046% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  15.20 +/- 0.92   0.018% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU  104  22.97 +/- 2.65   0.003% *  0.0644% (0.62  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  16.34 +/- 1.93   0.015% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  18.76 +/- 1.85   0.006% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  19.11 +/- 1.93   0.005% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.689, support = 5.12, residual support = 202.2:
    * O T HB2   LEU  104 - QD1   LEU  104   2.65 +/- 0.29  17.557% * 87.4281% (0.84  10.0 10.00   5.43 217.85) =  80.953%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.10 +/- 0.02  62.310% *  3.2510% (0.03  10.0 10.00   5.60 240.83) =  10.683%  kept
        T QD1   ILE  119 - QD1   LEU   63   3.41 +/- 1.56  20.051% *  7.9084% (0.10   1.0 10.00   1.50   1.47) =   8.363%  kept
        T QD1   ILE  119 - QD1   LEU  104  11.23 +/- 2.33   0.004% *  0.5706% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   63  10.22 +/- 1.57   0.008% *  0.1610% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   63   9.20 +/- 1.62   0.038% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   73  10.84 +/- 0.81   0.004% *  0.1610% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  12.22 +/- 1.85   0.002% *  0.1765% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU  104  10.57 +/- 0.41   0.004% *  0.0973% (0.93   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE  119 - QD1   LEU   73  11.59 +/- 1.79   0.003% *  0.1051% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  11.58 +/- 1.87   0.005% *  0.0325% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63   9.79 +/- 1.79   0.010% *  0.0098% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  12.07 +/- 1.07   0.002% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  18.23 +/- 1.39   0.000% *  0.0530% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  18.43 +/- 1.74   0.000% *  0.0098% (0.09   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 1292 (0.86, 0.60, 26.08 ppm):
    18 chemical-shift based assignments, quality = 0.709, support = 5.04, residual support = 218.8:
    * O T HB3   LEU  104 - QD1   LEU  104   2.26 +/- 0.24  53.378% * 89.6045% (0.74  10.0 10.00   5.00 217.85) =  95.674%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.64 +/- 0.22  24.303% *  8.8779% (0.07  10.0 10.00   5.86 240.83) =   4.316%  kept
          QD1   LEU   71 - QD1   LEU   73   3.44 +/- 1.36  19.836% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.008%
          QG1   VAL   70 - QD1   LEU   63   5.65 +/- 1.15   1.009% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   63   6.09 +/- 1.78   0.608% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU  104   7.02 +/- 1.26   0.103% *  0.1132% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   63   6.53 +/- 1.53   0.432% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104  11.75 +/- 1.98   0.009% *  0.4820% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   73   5.93 +/- 0.68   0.216% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   9.23 +/- 1.05   0.021% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104  10.70 +/- 3.37   0.011% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   63  10.84 +/- 1.29   0.006% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   7.88 +/- 0.70   0.040% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  10.88 +/- 1.84   0.007% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   73  12.04 +/- 1.06   0.003% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63   9.33 +/- 1.50   0.016% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.62 +/- 1.10   0.002% *  0.1052% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  13.68 +/- 2.24   0.001% *  0.0214% (0.18   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 1293 (1.53, 0.60, 26.08 ppm):
    27 chemical-shift based assignments, quality = 0.965, support = 5.27, residual support = 217.8:
    * O T HG    LEU  104 - QD1   LEU  104   2.12 +/- 0.02  96.300% * 98.9901% (0.97  10.0 10.00   5.27 217.85) =  99.999%  kept
          HB3   LYS+ 121 - QD1   LEU  104   8.17 +/- 4.17   0.242% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   73   4.51 +/- 0.87   2.385% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  104   9.10 +/- 4.26   0.276% *  0.0306% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   63   7.03 +/- 1.13   0.360% *  0.0125% (0.12   1.0  1.00   0.02   5.52) =   0.000%
        T HG    LEU  104 - QD1   LEU   73  10.83 +/- 1.20   0.007% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   63  11.43 +/- 1.68   0.006% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63   8.16 +/- 1.48   0.058% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   6.63 +/- 0.94   0.150% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63   8.31 +/- 2.04   0.119% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63  10.90 +/- 2.00   0.015% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   73   9.29 +/- 0.18   0.014% *  0.0176% (0.17   1.0  1.00   0.02  40.69) =   0.000%
          HD3   LYS+  74 - QD1   LEU   63  10.12 +/- 1.27   0.012% *  0.0176% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU  104  13.70 +/- 2.05   0.003% *  0.0680% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   8.09 +/- 0.76   0.039% *  0.0045% (0.04   1.0  1.00   0.02   1.48) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  16.19 +/- 2.42   0.001% *  0.0970% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  14.26 +/- 1.67   0.001% *  0.0372% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  17.73 +/- 1.38   0.000% *  0.0955% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  15.11 +/- 2.62   0.001% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  104  14.41 +/- 1.00   0.001% *  0.0196% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  13.93 +/- 0.99   0.001% *  0.0125% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  12.64 +/- 1.71   0.004% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  17.08 +/- 1.80   0.000% *  0.0247% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  13.02 +/- 1.29   0.002% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  15.58 +/- 2.77   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  15.61 +/- 2.44   0.001% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  18.56 +/- 2.12   0.000% *  0.0179% (0.17   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 1294 (0.60, 0.60, 26.08 ppm):
    3 diagonal assignments:
    *     QD1   LEU  104 - QD1   LEU  104  (0.93)  kept
          QD1   LEU   73 - QD1   LEU   73  (0.07)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.07)  kept
 
    Peak 1295 (0.73, 0.60, 26.08 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.48, residual support = 217.8:
    * O T QD2   LEU  104 - QD1   LEU  104   2.10 +/- 0.02  85.422% * 98.3006% (0.97  10.0 10.00   5.48 217.85) =  99.997%  kept
        T QG1   VAL   41 - QD1   LEU   73   4.32 +/- 1.03   4.242% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - QD1   LEU   73   3.76 +/- 0.99   8.835% *  0.0062% (0.06   1.0  1.00   0.02   8.35) =   0.001%
        T QG1   VAL   41 - QD1   LEU  104   6.31 +/- 0.86   0.167% *  0.1945% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU   63   6.62 +/- 1.37   0.223% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU  104   5.86 +/- 0.68   0.262% *  0.0303% (0.30   1.0  1.00   0.02   7.72) =   0.000%
        T QG2   VAL   18 - QD1   LEU   73   7.35 +/- 0.87   0.064% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   73   6.30 +/- 1.07   0.351% *  0.0175% (0.17   1.0  1.00   0.02   4.00) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   6.16 +/- 1.12   0.259% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   73  10.27 +/- 1.03   0.007% *  0.1810% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   63  10.74 +/- 1.23   0.006% *  0.1810% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   8.40 +/- 1.05   0.030% *  0.0335% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU  104  13.63 +/- 1.08   0.001% *  0.5565% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63  10.05 +/- 1.50   0.011% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   8.10 +/- 1.63   0.058% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   63   9.53 +/- 1.62   0.020% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63   9.96 +/- 1.50   0.011% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   73   8.96 +/- 0.59   0.015% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU  104  14.21 +/- 1.32   0.001% *  0.0949% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63   9.75 +/- 1.60   0.013% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  15.31 +/- 1.10   0.001% *  0.0675% (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 = 5.89, residual support = 217.8:
    *   T HA    LEU  104 - QD2   LEU  104   2.05 +/- 0.35  99.921% * 99.4871% (1.00 10.00   5.89 217.85) = 100.000%  kept
        T HA    LEU  104 - QG1   VAL   41   8.78 +/- 0.82   0.042% *  0.0534% (0.05 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   VAL   18  10.01 +/- 0.85   0.018% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD2   LEU  104  13.10 +/- 2.30   0.002% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QG2   VAL   18  17.02 +/- 0.76   0.001% *  0.1529% (0.15 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD2   LEU  104  15.29 +/- 2.09   0.001% *  0.0685% (0.69  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  13.84 +/- 2.07   0.003% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  15.68 +/- 2.79   0.006% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD2   LEU  104  21.75 +/- 2.58   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  13.49 +/- 1.29   0.002% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  12.87 +/- 1.51   0.003% *  0.0024% (0.02  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  24.08 +/- 2.38   0.000% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  18.52 +/- 1.19   0.000% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  17.44 +/- 1.20   0.000% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  17.64 +/- 2.46   0.001% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.25, residual support = 217.8:
    * O T HB2   LEU  104 - QD2   LEU  104   3.03 +/- 0.28  96.816% * 99.4846% (0.87  10.0 10.00   6.25 217.85) =  99.999%  kept
        T HB2   LEU  104 - QG1   VAL   41   7.32 +/- 0.84   0.832% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD2   LEU  104  10.03 +/- 0.45   0.085% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   7.87 +/- 2.09   1.654% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   18   8.25 +/- 1.04   0.420% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD2   LEU  104  12.18 +/- 1.76   0.034% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QG2   VAL   18  14.97 +/- 0.83   0.008% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  12.58 +/- 1.32   0.027% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QD2   LEU  104  13.66 +/- 1.48   0.017% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  12.00 +/- 0.61   0.028% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  14.05 +/- 1.53   0.014% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU  104  18.85 +/- 1.17   0.002% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  12.40 +/- 1.97   0.032% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  12.59 +/- 1.63   0.029% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  19.84 +/- 1.44   0.001% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (0.86, 0.73, 22.45 ppm):
    18 chemical-shift based assignments, quality = 0.487, support = 4.74, residual support = 155.3:
    * O T HB3   LEU  104 - QD2   LEU  104   2.71 +/- 0.28  17.739% * 83.3286% (0.76  10.0 10.00   5.41 217.85) =  55.740%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.06 +/- 0.06  78.113% * 15.0261% (0.14  10.0 10.00   3.90  76.52) =  44.259%  kept
          QD1   LEU   71 - QG1   VAL   41   4.14 +/- 1.05   3.876% *  0.0058% (0.05   1.0  1.00   0.02   4.48) =   0.001%
          QG1   VAL   70 - QD2   LEU  104   8.54 +/- 0.89   0.019% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   8.36 +/- 1.06   0.031% *  0.0448% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  13.40 +/- 0.96   0.001% *  0.9779% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.01 +/- 0.96   0.007% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41   9.31 +/- 0.79   0.011% *  0.0525% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.60 +/- 1.57   0.080% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   8.10 +/- 1.03   0.031% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   8.52 +/- 1.17   0.025% *  0.0162% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  12.06 +/- 2.59   0.004% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   7.07 +/- 0.53   0.053% *  0.0057% (0.05   1.0  1.00   0.02   2.70) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  11.31 +/- 1.46   0.004% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  13.19 +/- 1.32   0.001% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.97 +/- 0.82   0.000% *  0.1280% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  13.25 +/- 2.75   0.002% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.83 +/- 1.42   0.003% *  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 = 5.88, residual support = 217.8:
    * O T HG    LEU  104 - QD2   LEU  104   2.13 +/- 0.01  92.545% * 99.1842% (1.00  10.0 10.00   5.88 217.85) =  99.998%  kept
          HG2   LYS+  65 - QG2   VAL   18   6.29 +/- 2.90   3.120% *  0.0435% (0.04   1.0  1.00   0.23   0.10) =   0.001%
          HD3   LYS+  74 - QG2   VAL   18   4.42 +/- 1.13   3.787% *  0.0147% (0.15   1.0  1.00   0.02   0.99) =   0.001%
        T HG    LEU  104 - QG1   VAL   41   6.66 +/- 1.12   0.152% *  0.0533% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD2   LEU  104   9.28 +/- 3.16   0.041% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  104  10.06 +/- 3.43   0.051% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   7.29 +/- 1.33   0.175% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG2   VAL   18   9.88 +/- 1.65   0.017% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   8.19 +/- 1.17   0.058% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG2   VAL   18  15.78 +/- 0.98   0.001% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  15.20 +/- 1.90   0.001% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  16.37 +/- 2.44   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  14.92 +/- 1.72   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   8.47 +/- 1.00   0.036% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  18.35 +/- 1.00   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  14.72 +/- 1.12   0.001% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  13.18 +/- 2.95   0.003% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  12.92 +/- 1.41   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  15.17 +/- 1.26   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  16.26 +/- 1.81   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  13.76 +/- 0.76   0.001% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  18.59 +/- 1.19   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  14.41 +/- 1.12   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  15.30 +/- 1.60   0.001% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  13.95 +/- 2.86   0.002% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  18.99 +/- 1.92   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  15.39 +/- 0.96   0.001% *  0.0013% (0.01   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 1300 (0.60, 0.73, 22.45 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.48, residual support = 217.8:
    * O T QD1   LEU  104 - QD2   LEU  104   2.10 +/- 0.02  94.881% * 98.4528% (0.97  10.0 10.00   5.48 217.85) =  99.998%  kept
        T QD1   LEU   73 - QG1   VAL   41   4.32 +/- 1.03   4.485% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - QG2   VAL   18   6.62 +/- 1.37   0.269% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG1   VAL   41   6.31 +/- 0.86   0.182% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.35 +/- 0.87   0.071% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  10.27 +/- 1.03   0.008% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104  10.74 +/- 1.23   0.007% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41  10.05 +/- 1.50   0.013% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU  104  12.14 +/- 1.61   0.004% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   18  13.63 +/- 1.08   0.001% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18   9.52 +/- 1.29   0.016% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU  104  12.83 +/- 1.08   0.002% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18   9.51 +/- 1.12   0.015% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  13.95 +/- 0.99   0.001% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41   9.05 +/- 0.73   0.016% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41   9.42 +/- 0.79   0.013% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  11.64 +/- 1.18   0.004% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  13.21 +/- 0.92   0.002% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  11.07 +/- 1.18   0.006% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  13.03 +/- 1.92   0.002% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  11.85 +/- 0.69   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 = 3.15, residual support = 42.3:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.78 +/- 0.21  99.808% * 99.5527% (0.95  10.0 10.00   3.15  42.29) = 100.000%  kept
          HB2   MET   96 - HA    ASP- 105   8.85 +/- 0.78   0.125% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP- 105  11.19 +/- 2.18   0.044% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP- 105  14.63 +/- 1.12   0.006% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  13.41 +/- 1.50   0.012% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  17.65 +/- 1.25   0.002% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ASP- 105  22.07 +/- 0.78   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  23.07 +/- 0.96   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  20.45 +/- 1.47   0.001% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.80, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.15, residual support = 42.3:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.78 +/- 0.21  99.998% * 99.7814% (0.95  10.0 10.00   3.15  42.29) = 100.000%  kept
          HA    LEU   80 - HB2   ASP- 105  21.82 +/- 1.42   0.001% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP- 105  23.55 +/- 1.58   0.000% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB2   ASP- 105  21.40 +/- 1.48   0.001% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  23.46 +/- 1.18   0.000% *  0.0154% (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 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 = 6.27, residual support = 135.6:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.18 +/- 0.09  98.883% * 99.1664% (1.00  10.0 10.00   6.27 135.59) =  99.999%  kept
          HB3   ASP- 105 - HA    LYS+ 106   4.82 +/- 0.46   1.063% *  0.0860% (0.87   1.0  1.00   0.02  21.45) =   0.001%
          HB    ILE  103 - HA    LYS+ 106   8.09 +/- 0.65   0.043% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+ 106  12.29 +/- 1.51   0.005% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  12.78 +/- 0.84   0.003% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  17.16 +/- 3.08   0.001% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+ 106  16.71 +/- 1.21   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  17.87 +/- 0.81   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+ 106  18.57 +/- 1.11   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  16.68 +/- 1.24   0.001% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  18.70 +/- 0.95   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  18.87 +/- 0.65   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  17.13 +/- 1.43   0.000% *  0.0153% (0.15   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 1309 (1.56, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.04, residual support = 135.6:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.80 +/- 0.44  99.581% * 98.2431% (1.00  10.0 10.00   5.04 135.59) = 100.000%  kept
        T QG    LYS+  81 - HA    LYS+ 106  18.35 +/- 1.14   0.010% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 106  10.98 +/- 2.57   0.377% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+ 106  20.07 +/- 1.90   0.006% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+ 106  15.65 +/- 1.06   0.026% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.8, residual support = 135.6:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.87 +/- 0.33  98.254% * 98.5750% (1.00 10.00   4.80 135.59) =  99.997%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.45 +/- 0.67   0.171% *  0.9836% (1.00 10.00   0.02   0.02) =   0.002%
          QG1   ILE   56 - HA    LYS+ 106   9.59 +/- 1.36   0.749% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 106  12.01 +/- 0.55   0.132% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LYS+ 106  10.98 +/- 0.70   0.224% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+ 106  13.56 +/- 1.80   0.109% *  0.0716% (0.73  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 106  13.37 +/- 1.11   0.068% *  0.0932% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 106  12.96 +/- 1.04   0.104% *  0.0405% (0.41  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+ 106  11.81 +/- 1.25   0.144% *  0.0246% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 106  14.83 +/- 2.38   0.047% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1311 (2.98, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 5.07, residual support = 125.8:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.38 +/- 0.48  60.420% * 88.4478% (1.00 10.00   5.19 135.59) =  92.281%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.86 +/- 0.88  39.222% * 11.3958% (0.73  1.00   3.55   8.72) =   7.718%  kept
          HB3   PHE   60 - HA    LYS+ 106  11.02 +/- 1.69   0.320% *  0.0837% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    LYS+ 106  15.57 +/- 0.90   0.029% *  0.0608% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 106  19.66 +/- 1.11   0.008% *  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 = 6.27, residual support = 135.6:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.18 +/- 0.09 100.000% *100.0000% (1.00  10.0 10.00   6.27 135.59) = 100.000%  kept
    Distance limit 3.35 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 = 5.3, residual support = 135.6:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.28 +/- 0.12  99.972% * 98.2431% (1.00  10.0 10.00   5.30 135.59) = 100.000%  kept
        T QG    LYS+  81 - QB    LYS+ 106  15.82 +/- 1.33   0.001% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+ 106  10.15 +/- 2.14   0.025% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+ 106  18.69 +/- 1.73   0.000% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  14.74 +/- 1.18   0.002% *  0.0172% (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 1316 (1.70, 1.87, 37.27 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.04, residual support = 135.6:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.32 +/- 0.19  99.881% * 97.1433% (1.00  10.0 10.00   5.04 135.59) = 100.000%  kept
        T QG1   ILE   56 - QB    LYS+ 106   9.48 +/- 1.43   0.033% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QB    LYS+ 106  11.03 +/- 0.72   0.010% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 106  12.42 +/- 1.26   0.005% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 106  10.26 +/- 0.92   0.016% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - QB    LYS+ 106  14.99 +/- 1.84   0.002% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106  10.02 +/- 1.23   0.026% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  10.55 +/- 0.66   0.014% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 106  12.62 +/- 1.20   0.006% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  11.68 +/- 0.94   0.007% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.995, support = 5.36, residual support = 133.5:
    *   T QE    LYS+ 106 - QB    LYS+ 106   2.96 +/- 0.69  94.814% * 75.8817% (1.00 10.00   5.44 135.59) =  98.333%  kept
        T HB2   PHE   97 - QB    LYS+ 106   5.52 +/- 0.80   5.085% * 23.9841% (0.73 10.00   0.87   8.72) =   1.667%  kept
          HB3   PHE   60 - QB    LYS+ 106  11.23 +/- 1.57   0.079% *  0.0718% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QB    LYS+ 106  14.06 +/- 1.20   0.017% *  0.0521% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+ 106  17.91 +/- 1.09   0.004% *  0.0103% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 5.04, residual support = 135.6:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.80 +/- 0.44  99.984% * 99.1803% (1.00  10.0 10.00   5.04 135.59) = 100.000%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  20.07 +/- 1.90   0.007% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 106 - QG    LYS+  81  18.35 +/- 1.14   0.010% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 0.731, support = 5.38, residual support = 133.5:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.28 +/- 0.12  27.868% * 54.3218% (1.00  10.0 10.00   5.30 135.59) =  52.990%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.32 +/- 0.10  25.336% * 31.1646% (0.57  10.0 10.00   5.67 147.86) =  27.639%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.09 +/- 0.03  46.404% * 11.9258% (0.22  10.0 10.00   5.17 107.43) =  19.371%  kept
          HB    ILE  103 - HG2   LYS+ 106   5.89 +/- 1.14   0.156% *  0.0435% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.29 +/- 0.64   0.084% *  0.0471% (0.87   1.0  1.00   0.02  21.45) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   6.04 +/- 0.89   0.127% *  0.0135% (0.25   1.0  1.00   0.02   0.17) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   8.48 +/- 1.06   0.017% *  0.0117% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  18.46 +/- 1.60   0.000% *  0.5420% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.22 +/- 1.33   0.003% *  0.0200% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  18.75 +/- 0.98   0.000% *  0.5139% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  18.69 +/- 1.73   0.000% *  0.3294% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  15.82 +/- 1.33   0.000% *  0.1195% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  15.22 +/- 1.81   0.000% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  20.96 +/- 1.09   0.000% *  0.3287% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  16.33 +/- 2.34   0.000% *  0.0532% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  13.70 +/- 1.44   0.001% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  18.60 +/- 0.79   0.000% *  0.1131% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  16.65 +/- 2.59   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  19.72 +/- 3.18   0.000% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  12.59 +/- 1.72   0.001% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.72 +/- 1.29   0.000% *  0.0223% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.75 +/- 1.72   0.000% *  0.0264% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  19.30 +/- 0.88   0.000% *  0.0329% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.69 +/- 1.81   0.000% *  0.0286% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.40 +/- 1.18   0.000% *  0.0454% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  15.55 +/- 0.84   0.000% *  0.0049% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  17.73 +/- 1.62   0.000% *  0.0100% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.91 +/- 1.53   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  18.89 +/- 1.37   0.000% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.43 +/- 1.58   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  21.70 +/- 1.44   0.000% *  0.0104% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  25.47 +/- 2.47   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  27.04 +/- 1.34   0.000% *  0.0323% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.82 +/- 2.26   0.000% *  0.0275% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.68 +/- 1.98   0.000% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  27.14 +/- 1.64   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  24.84 +/- 1.53   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  26.67 +/- 0.81   0.000% *  0.0072% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  21.96 +/- 1.30   0.000% *  0.0018% (0.03   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 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 = 4.12, residual support = 135.6:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.32 +/- 0.13  99.897% * 96.6493% (1.00  10.0 10.00   4.12 135.59) = 100.000%  kept
        T QD    LYS+  99 - HG2   LYS+ 106  11.67 +/- 0.86   0.007% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  33  13.44 +/- 2.45   0.006% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  33  10.14 +/- 1.17   0.020% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 106   9.90 +/- 1.68   0.028% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  11.06 +/- 0.69   0.009% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  12.30 +/- 1.69   0.007% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 106  13.27 +/- 1.12   0.003% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  33  19.86 +/- 1.83   0.000% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG    LYS+  81  17.15 +/- 1.87   0.001% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  15.05 +/- 1.19   0.002% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+ 106  15.35 +/- 1.77   0.002% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  13.08 +/- 1.47   0.004% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  15.01 +/- 1.19   0.002% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  14.68 +/- 1.74   0.002% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  13.72 +/- 0.49   0.002% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  17.52 +/- 2.49   0.001% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  13.70 +/- 1.74   0.004% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  22.37 +/- 1.10   0.000% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  17.02 +/- 1.84   0.001% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  16.79 +/- 1.60   0.001% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  21.53 +/- 2.22   0.000% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  23.84 +/- 5.20   0.000% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  26.06 +/- 1.76   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  23.69 +/- 2.92   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  25.13 +/- 2.04   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  19.67 +/- 1.66   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  23.06 +/- 1.05   0.000% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  31.44 +/- 2.67   0.000% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  28.29 +/- 1.73   0.000% *  0.0095% (0.10   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 1329 (2.98, 1.56, 25.37 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 4.5, residual support = 135.6:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.73 +/- 0.35  98.079% * 98.7341% (1.00  10.0 10.00   4.50 135.59) =  99.999%  kept
          HB2   PHE   97 - HG2   LYS+ 106   6.21 +/- 1.12   1.536% *  0.0717% (0.73   1.0  1.00   0.02   8.72) =   0.001%
          HB2   ASN   35 - HG2   LYS+  33   7.58 +/- 0.60   0.299% *  0.0081% (0.08   1.0  1.00   0.02   1.28) =   0.000%
          HB3   TRP   27 - HG2   LYS+  33  10.95 +/- 0.52   0.030% *  0.0411% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+ 106  14.28 +/- 1.87   0.007% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - HG2   LYS+  33  19.98 +/- 1.91   0.001% *  0.5988% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  11.08 +/- 0.88   0.035% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - QG    LYS+  81  17.51 +/- 2.12   0.002% *  0.2172% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+ 106  16.43 +/- 1.31   0.003% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  16.87 +/- 1.87   0.003% *  0.0435% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  18.63 +/- 2.11   0.002% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  17.22 +/- 1.00   0.002% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  19.60 +/- 1.19   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  19.92 +/- 1.09   0.001% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  22.09 +/- 1.32   0.000% *  0.0029% (0.03   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 1330 (5.63, 1.70, 30.09 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 135.6:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.87 +/- 0.33  99.826% * 99.1942% (0.99 10.00   4.80 135.59) =  99.999%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.45 +/- 0.67   0.174% *  0.8058% (0.81 10.00   0.02   0.02) =   0.001%
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1331 (1.87, 1.70, 30.09 ppm):
    26 chemical-shift based assignments, quality = 0.991, support = 5.04, residual support = 135.6:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.32 +/- 0.19  98.079% * 96.5416% (0.99  10.0 10.00   5.04 135.59) =  99.998%  kept
          HB    ILE  103 - QD    LYS+ 106   6.11 +/- 1.35   0.837% *  0.0773% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD    LYS+ 106   6.02 +/- 0.91   0.637% *  0.0837% (0.86   1.0  1.00   0.02  21.45) =   0.001%
          HB3   LYS+  38 - QD    LYS+  99   6.61 +/- 1.13   0.311% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QD    LYS+  99  11.03 +/- 0.72   0.010% *  0.7842% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  99   8.53 +/- 0.97   0.067% *  0.0680% (0.70   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+ 106  13.48 +/- 1.56   0.003% *  0.7378% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  99   9.64 +/- 0.73   0.022% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  99  11.76 +/- 1.11   0.008% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  99  12.35 +/- 2.02   0.007% *  0.0599% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+ 106  14.85 +/- 2.52   0.002% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  12.22 +/- 1.65   0.006% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+  99  20.22 +/- 1.44   0.000% *  0.5993% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  99  13.94 +/- 1.92   0.004% *  0.0322% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+ 106  17.03 +/- 1.93   0.001% *  0.0963% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  18.03 +/- 2.97   0.001% *  0.0738% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  17.65 +/- 1.01   0.001% *  0.0913% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  16.82 +/- 1.53   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  19.19 +/- 1.18   0.000% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  18.03 +/- 0.84   0.001% *  0.0586% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  22.36 +/- 1.15   0.000% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  24.06 +/- 1.39   0.000% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  18.38 +/- 1.27   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  25.58 +/- 1.16   0.000% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  22.15 +/- 0.94   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  21.69 +/- 1.38   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 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 = 4.12, residual support = 135.6:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.32 +/- 0.13  99.963% * 96.1045% (0.99  10.0 10.00   4.12 135.59) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  99  11.67 +/- 0.86   0.007% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  99  13.44 +/- 2.45   0.006% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+ 106  17.15 +/- 1.87   0.001% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 106  10.92 +/- 2.53   0.021% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+ 106  19.86 +/- 1.83   0.000% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+  99  22.37 +/- 1.10   0.000% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  16.71 +/- 1.55   0.001% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  19.96 +/- 2.87   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  19.67 +/- 1.08   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 0.02 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 = 3.35, residual support = 135.6:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.09 +/- 0.03  99.721% * 98.7514% (0.99  10.0 10.00   3.35 135.59) = 100.000%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.41 +/- 0.94   0.189% *  0.0717% (0.72   1.0  1.00   0.02   8.72) =   0.000%
        T QE    LYS+ 106 - QD    LYS+  99  10.76 +/- 1.55   0.010% *  0.8022% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.33 +/- 0.78   0.068% *  0.0583% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+ 106  13.13 +/- 1.83   0.002% *  0.0934% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  11.00 +/- 1.56   0.008% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.62 +/- 1.76   0.001% *  0.0678% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  16.29 +/- 1.49   0.001% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  16.16 +/- 1.42   0.001% *  0.0551% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  18.47 +/- 1.17   0.000% *  0.0134% (0.13   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 1336 (5.63, 2.98, 42.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.19, residual support = 135.6:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.38 +/- 0.48 100.000% *100.0000% (1.00 10.00   5.19 135.59) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1337 (1.87, 2.98, 42.19 ppm):
    13 chemical-shift based assignments, quality = 0.984, support = 5.21, residual support = 121.6:
    *   T QB    LYS+ 106 - QE    LYS+ 106   2.96 +/- 0.69  80.295% * 53.3343% (1.00 10.00   5.44 135.59) =  87.727%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   5.87 +/- 1.53  12.944% * 46.2637% (0.87 10.00   3.61  21.45) =  12.268%  kept
          HB    ILE  103 - QE    LYS+ 106   6.09 +/- 1.16   6.704% *  0.0427% (0.80  1.00   0.02   0.02) =   0.006%
          HB    ILE   56 - QE    LYS+ 106  13.85 +/- 1.74   0.012% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+ 106  15.23 +/- 2.91   0.006% *  0.0523% (0.98  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+ 106  18.00 +/- 3.40   0.007% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  12.69 +/- 2.29   0.015% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QE    LYS+ 106  17.74 +/- 1.18   0.003% *  0.0505% (0.95  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+ 106  17.38 +/- 2.16   0.003% *  0.0532% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  17.85 +/- 1.49   0.004% *  0.0323% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  17.05 +/- 1.61   0.004% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  19.57 +/- 1.69   0.001% *  0.0445% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  18.68 +/- 1.20   0.002% *  0.0082% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.5, residual support = 135.6:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.73 +/- 0.35  99.872% * 98.2431% (1.00  10.0 10.00   4.50 135.59) = 100.000%  kept
          HB3   LYS+ 111 - QE    LYS+ 106  11.29 +/- 3.14   0.123% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QE    LYS+ 106  17.51 +/- 2.12   0.002% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QE    LYS+ 106  19.98 +/- 1.91   0.001% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  17.14 +/- 1.53   0.002% *  0.0172% (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 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.35, residual support = 135.6:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.09 +/- 0.03  99.932% * 98.5861% (0.99  10.0 10.00   3.35 135.59) = 100.000%  kept
        T QD    LYS+  99 - QE    LYS+ 106  10.76 +/- 1.55   0.010% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    LYS+ 106   9.22 +/- 1.64   0.030% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 106  10.43 +/- 1.52   0.011% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 106  12.33 +/- 1.96   0.005% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  11.31 +/- 1.46   0.006% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    LYS+ 106  13.39 +/- 2.23   0.003% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  14.64 +/- 1.48   0.001% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  13.97 +/- 1.91   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  15.68 +/- 1.88   0.001% *  0.0373% (0.38   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 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 = 58.0:
    * O T HB    VAL  107 - HA    VAL  107   2.86 +/- 0.18  99.822% * 99.6302% (0.73  10.0 10.00   3.31  58.03) = 100.000%  kept
          QE    LYS+ 112 - HA    VAL  107  10.31 +/- 1.49   0.082% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    VAL  107   9.82 +/- 0.83   0.073% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    VAL  107  11.98 +/- 0.81   0.021% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    VAL  107  20.80 +/- 0.81   0.001% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  23.69 +/- 0.91   0.000% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  19.65 +/- 0.73   0.001% *  0.0272% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1344 (4.48, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 58.0:
    * O T HA    VAL  107 - HB    VAL  107   2.86 +/- 0.18  99.482% * 99.7511% (0.73  10.0 10.00   3.31  58.03) = 100.000%  kept
          HA    ALA  110 - HB    VAL  107   8.04 +/- 1.87   0.491% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB    VAL  107  14.30 +/- 1.11   0.007% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  13.43 +/- 1.27   0.014% *  0.0197% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB    VAL  107  17.81 +/- 0.99   0.002% *  0.0799% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  16.44 +/- 1.02   0.003% *  0.0222% (0.16   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 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   2.70 +/- 0.36  99.539% * 99.4465% (1.00  10.0 10.00   3.30  62.13) = 100.000%  kept
          HB2   PRO   93 - HA    VAL  108   8.46 +/- 1.85   0.436% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    VAL  108  12.15 +/- 1.37   0.017% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    VAL  108  14.91 +/- 1.91   0.007% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    VAL  108  20.65 +/- 1.17   0.001% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  20.89 +/- 1.82   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  23.08 +/- 0.54   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  22.25 +/- 2.72   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  34.50 +/- 3.90   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.62 +/- 0.06  99.852% * 99.8607% (1.00  10.0 10.00   3.97  62.13) = 100.000%  kept
          HB3   LEU   63 - HA    VAL  108  14.13 +/- 2.39   0.123% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  13.07 +/- 0.82   0.007% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  16.52 +/- 2.75   0.010% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  13.49 +/- 1.32   0.007% *  0.0198% (0.20   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 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   2.57 +/- 0.46  99.854% * 99.7938% (1.00  10.0 10.00   3.30  62.13) = 100.000%  kept
          QD1   ILE  119 - HA    VAL  108   9.52 +/- 0.97   0.094% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    VAL  108  10.36 +/- 1.70   0.046% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL  108  13.83 +/- 0.46   0.006% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1350 (4.56, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T HA    VAL  108 - HB    VAL  108   2.70 +/- 0.36  98.037% * 99.8175% (1.00  10.0 10.00   3.30  62.13) =  99.999%  kept
          HA1   GLY  109 - HB    VAL  108   5.52 +/- 0.29   1.936% *  0.0308% (0.31   1.0  1.00   0.02   7.63) =   0.001%
          HA    ALA   47 - HB    VAL  108  14.76 +/- 2.82   0.012% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL  108  15.69 +/- 3.05   0.013% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL  108  19.58 +/- 2.94   0.002% *  0.0198% (0.20   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 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   2.13 +/- 0.01  99.981% * 99.8607% (1.00  10.0 10.00   3.44  62.13) = 100.000%  kept
          HB3   LEU   63 - HB    VAL  108  15.38 +/- 2.56   0.011% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  17.11 +/- 3.20   0.005% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HB    VAL  108  13.12 +/- 0.95   0.002% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  14.64 +/- 1.46   0.001% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.987% * 99.1471% (1.00  10.0 10.00   3.00  62.13) = 100.000%  kept
        T QD1   ILE  119 - HB    VAL  108  10.94 +/- 1.13   0.007% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL  108  12.97 +/- 0.36   0.002% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  12.66 +/- 1.58   0.004% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.62 +/- 0.06  83.254% * 95.2091% (1.00  10.0 10.00   3.97  62.13) =  99.035%  kept
          HA1   GLY  109 - QG1   VAL  108   3.48 +/- 0.24  16.627% *  4.6463% (0.31   1.0  1.00   3.16   7.63) =   0.965%  kept
          HA    ALA   47 - QG1   VAL  108  11.95 +/- 2.58   0.041% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL  108  12.58 +/- 2.76   0.067% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL  108  15.65 +/- 2.79   0.010% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.13 +/- 0.01  99.955% * 99.4465% (1.00  10.0 10.00   3.44  62.13) = 100.000%  kept
          HB2   PRO   93 - QG1   VAL  108   8.72 +/- 1.49   0.037% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG1   VAL  108  12.38 +/- 1.56   0.005% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG1   VAL  108  14.08 +/- 1.93   0.002% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  18.69 +/- 0.99   0.000% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  18.94 +/- 1.65   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  20.09 +/- 0.47   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  20.68 +/- 2.77   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  30.69 +/- 3.74   0.000% *  0.0135% (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 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 +/- 0.03  99.975% * 99.7938% (1.00  10.0 10.00   3.44  62.13) = 100.000%  kept
          QD1   ILE  119 - QG1   VAL  108   9.98 +/- 1.09   0.013% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108  10.56 +/- 1.38   0.010% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL  108  12.64 +/- 0.29   0.002% *  0.0963% (0.97   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 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   2.57 +/- 0.46  96.900% * 99.8175% (1.00  10.0 10.00   3.30  62.13) =  99.999%  kept
          HA1   GLY  109 - QG2   VAL  108   5.21 +/- 0.33   3.041% *  0.0308% (0.31   1.0  1.00   0.02   7.63) =   0.001%
          HA    ALA   47 - QG2   VAL  108  11.96 +/- 2.44   0.029% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG2   VAL  108  12.91 +/- 2.78   0.028% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG2   VAL  108  16.17 +/- 2.45   0.003% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.02 A, kept.
 
    Peak 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  99.943% * 98.6316% (1.00  10.0 10.00   3.00  62.13) = 100.000%  kept
        T HB    ILE  119 - QG2   VAL  108  11.36 +/- 1.12   0.005% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   VAL  108   8.45 +/- 1.34   0.048% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   VAL  108  14.56 +/- 1.70   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  16.75 +/- 0.97   0.000% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  17.06 +/- 1.50   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  17.84 +/- 0.45   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  18.89 +/- 2.64   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  29.09 +/- 3.33   0.000% *  0.0133% (0.14   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 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 +/- 0.03  99.749% * 99.8607% (1.00  10.0 10.00   3.44  62.13) = 100.000%  kept
          HB3   LEU   63 - QG2   VAL  108  12.60 +/- 2.33   0.151% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  14.05 +/- 2.86   0.088% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG2   VAL  108  10.54 +/- 0.96   0.008% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  11.84 +/- 1.25   0.004% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 9.19:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  99.986% * 98.9563% (1.00  10.0 10.00   2.00   9.19) = 100.000%  kept
          HA    THR  118 - HA1   GLY  109  12.34 +/- 2.91   0.009% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   TRP   49 - HA1   GLY  109  17.43 +/- 3.39   0.001% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  14.21 +/- 2.51   0.003% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA1   GLY  109  16.82 +/- 2.14   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.19:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  99.622% * 97.8789% (1.00  10.0 10.00   2.00   9.19) = 100.000%  kept
          HA    VAL  108 - HA2   GLY  109   4.44 +/- 0.06   0.377% *  0.0302% (0.31   1.0  1.00   0.02   7.63) =   0.000%
        T HA    CYS   50 - HA2   GLY  109  14.11 +/- 2.89   0.001% *  0.9766% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HA    TRP   49 - HA2   GLY  109  17.92 +/- 2.94   0.000% *  0.9446% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HA2   GLY  109  14.74 +/- 2.54   0.000% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  21.27 +/- 0.76   0.000% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  24.87 +/- 1.60   0.000% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.13 +/- 0.01  99.989% * 98.4934% (1.00  10.0 10.00   1.31   9.59) = 100.000%  kept
        T QB    ALA   61 - HA    ALA  110  13.33 +/- 3.89   0.008% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  17.27 +/- 3.17   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  15.51 +/- 2.72   0.001% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  21.04 +/- 3.55   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  19.30 +/- 3.69   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  20.85 +/- 2.42   0.000% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  20.21 +/- 2.97   0.000% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  23.11 +/- 3.93   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  20.12 +/- 3.39   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  17.76 +/- 1.46   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  23.37 +/- 1.65   0.000% *  0.0304% (0.31   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 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   2.13 +/- 0.01  98.575% * 98.8162% (1.00  10.0 10.00   1.31   9.59) =  99.999%  kept
          HA    VAL  107 - QB    ALA  110   7.07 +/- 1.84   1.084% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QB    ALA  110   7.97 +/- 2.86   0.297% *  0.0857% (0.87   1.0  1.00   0.02   0.18) =   0.000%
        T HA    ALA  110 - QB    ALA   61  13.33 +/- 3.89   0.007% *  0.7312% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QB    ALA   61   9.55 +/- 1.23   0.016% *  0.0634% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA  110  10.96 +/- 1.96   0.009% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA  110  13.70 +/- 1.67   0.002% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA   61  11.27 +/- 0.65   0.005% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  14.40 +/- 1.82   0.002% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  13.42 +/- 1.29   0.002% *  0.0226% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   61  17.70 +/- 1.16   0.000% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  16.05 +/- 1.60   0.001% *  0.0145% (0.15   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 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 = 315.5:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.66 +/- 0.20  95.833% * 98.9314% (1.00  10.0 10.00   7.98 315.47) =  99.998%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.68 +/- 0.52   4.150% *  0.0560% (0.57   1.0  1.00   0.02   0.11) =   0.002%
          HB    ILE  119 - HA    LYS+ 111  11.62 +/- 1.05   0.016% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    LYS+ 111  25.80 +/- 2.17   0.000% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  22.93 +/- 2.47   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  23.72 +/- 3.39   0.000% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  24.53 +/- 2.03   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  22.91 +/- 3.69   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  24.10 +/- 1.97   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  30.11 +/- 1.97   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  25.71 +/- 1.63   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  28.48 +/- 1.34   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1372 (1.33, 4.53, 54.74 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.5:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   3.46 +/- 0.42  98.663% * 99.2615% (1.00  10.0 10.00   7.31 315.47) = 100.000%  kept
          HB3   PRO   93 - HA    LYS+ 111  10.27 +/- 2.47   1.176% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+ 111  14.69 +/- 2.37   0.050% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 111  14.61 +/- 2.40   0.043% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+ 111  16.27 +/- 1.56   0.012% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+ 111  14.06 +/- 1.79   0.036% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  17.28 +/- 1.95   0.009% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  18.81 +/- 1.41   0.005% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  19.91 +/- 0.99   0.003% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+ 111  22.92 +/- 2.00   0.002% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  24.74 +/- 1.52   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  27.79 +/- 1.81   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  31.11 +/- 1.73   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.5:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.49 +/- 0.45  99.512% * 99.3524% (1.00  10.0 10.00   7.31 315.47) = 100.000%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   6.87 +/- 0.67   0.484% *  0.0373% (0.38   1.0  1.00   0.02  28.12) =   0.000%
        T HG2   LYS+  74 - HA    LYS+ 111  19.20 +/- 2.22   0.001% *  0.3729% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 111  16.84 +/- 3.41   0.002% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 111  23.61 +/- 1.81   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  24.82 +/- 1.66   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  24.48 +/- 1.51   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  24.29 +/- 2.15   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1374 (1.69, 4.53, 54.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.5:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.17 +/- 0.47  94.242% * 98.3525% (1.00 10.00   6.21 315.47) =  99.995%  kept
          HG3   PRO   93 - HA    LYS+ 111  10.43 +/- 3.32   5.356% *  0.0853% (0.87  1.00   0.02   0.02) =   0.005%
          HB3   MET   92 - HA    LYS+ 111  10.51 +/- 2.12   0.328% *  0.0964% (0.98  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 111  12.32 +/- 1.25   0.059% *  0.0714% (0.73  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 111  22.19 +/- 1.48   0.001% *  0.6756% (0.69 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 111  17.30 +/- 1.32   0.006% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  19.36 +/- 2.42   0.003% *  0.1518% (0.15 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 111  21.36 +/- 1.55   0.001% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LYS+ 111  21.28 +/- 1.66   0.002% *  0.0676% (0.69  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 111  27.44 +/- 1.64   0.000% *  0.3036% (0.31 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.29 +/- 2.53   0.001% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.5:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   4.11 +/- 0.33  99.451% * 98.5544% (1.00 10.00   6.21 315.47) =  99.999%  kept
          QB    ALA   57 - HA    LYS+ 111  10.93 +/- 1.57   0.431% *  0.0983% (1.00  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  19.36 +/- 2.42   0.014% *  0.2457% (0.25 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 111  14.33 +/- 0.82   0.063% *  0.0274% (0.28  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 111  18.53 +/- 1.99   0.018% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+ 111  17.93 +/- 1.15   0.016% *  0.0884% (0.90  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HA    LYS+ 111  26.83 +/- 1.70   0.001% *  0.8839% (0.90 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.29 +/- 2.53   0.006% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.5:
    *   T QE    LYS+ 111 - HA    LYS+ 111   2.89 +/- 0.39  99.986% * 99.8490% (1.00 10.00   5.62 315.47) = 100.000%  kept
          HB2   PHE   45 - HA    LYS+ 111  13.46 +/- 1.61   0.014% *  0.0945% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HA    LYS+ 111  24.27 +/- 1.88   0.000% *  0.0565% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 315.5:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.66 +/- 0.20  99.949% * 99.7221% (1.00  10.0 10.00   7.98 315.47) = 100.000%  kept
          HA    PRO   52 - HB2   LYS+ 111  11.86 +/- 1.83   0.051% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG3   GLN   30  25.80 +/- 2.17   0.000% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  24.39 +/- 1.98   0.000% *  0.0130% (0.13   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 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 = 315.5:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.75 +/- 0.09  98.000% * 98.9173% (1.00  10.0 10.00   7.31 315.47) = 100.000%  kept
          HB2   LEU   31 - HG3   GLN   30   6.87 +/- 1.41   1.793% *  0.0197% (0.20   1.0  1.00   0.02  51.36) =   0.000%
          HB3   PRO   93 - HB2   LYS+ 111  11.76 +/- 2.38   0.063% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+ 111  14.98 +/- 2.34   0.008% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+ 111  15.50 +/- 2.59   0.006% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  11.94 +/- 2.07   0.043% *  0.0089% (0.09   1.0  1.00   0.02   0.39) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  11.86 +/- 1.03   0.018% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  12.04 +/- 1.39   0.022% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+ 111  16.77 +/- 1.60   0.002% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  17.93 +/- 1.63   0.002% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   GLN   30  15.16 +/- 1.36   0.005% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  15.14 +/- 1.80   0.005% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  14.54 +/- 0.94   0.005% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  15.69 +/- 2.12   0.004% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  18.19 +/- 1.90   0.002% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  14.17 +/- 0.94   0.006% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  19.75 +/- 1.87   0.001% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  26.94 +/- 3.12   0.000% *  0.1988% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  12.96 +/- 0.76   0.010% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  23.92 +/- 2.17   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  24.06 +/- 2.61   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  17.77 +/- 1.34   0.002% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  18.06 +/- 1.98   0.002% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  28.04 +/- 2.22   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  21.30 +/- 3.95   0.001% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  30.70 +/- 2.63   0.000% *  0.0792% (0.80   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 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 315.5:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.95 +/- 0.17  96.178% * 98.4912% (1.00  10.0 10.00   7.29 315.47) = 100.000%  kept
          HG    LEU   71 - HG3   GLN   30   6.64 +/- 1.16   1.509% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LYS+ 111   8.16 +/- 0.75   0.300% *  0.0370% (0.38   1.0  1.00   0.02  28.12) =   0.000%
          HB3   LEU   71 - HG3   GLN   30   7.47 +/- 1.44   0.951% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG3   GLN   30  10.35 +/- 1.57   0.078% *  0.0743% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG3   GLN   30   8.08 +/- 2.65   0.967% *  0.0039% (0.04   1.0  1.00   0.02   1.05) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 111  17.59 +/- 3.39   0.006% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HB2   LYS+ 111  20.35 +/- 2.17   0.001% *  0.3696% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HB2   LYS+ 111  24.97 +/- 2.30   0.000% *  0.4049% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  17.14 +/- 2.09   0.004% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HB2   LYS+ 111  25.02 +/- 2.20   0.000% *  0.1949% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  26.74 +/- 3.02   0.000% *  0.1980% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  15.80 +/- 1.59   0.005% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  23.70 +/- 2.47   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  23.74 +/- 2.66   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  25.19 +/- 2.49   0.000% *  0.0074% (0.08   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 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 315.5:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.40 +/- 0.50  94.645% * 97.6852% (1.00  10.0 10.00   6.62 315.47) =  99.999%  kept
          HB2   LEU   73 - HG3   GLN   30   5.03 +/- 1.45   5.091% *  0.0176% (0.18   1.0  1.00   0.02   7.37) =   0.001%
          HG3   PRO   93 - HB2   LYS+ 111  12.19 +/- 3.22   0.171% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+ 111  12.00 +/- 2.16   0.046% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB2   LYS+ 111  11.87 +/- 1.94   0.018% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   GLN   30  16.55 +/- 2.00   0.003% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   GLN   30  14.60 +/- 1.05   0.004% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB2   LYS+ 111  21.66 +/- 1.79   0.000% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+ 111  16.38 +/- 1.50   0.002% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG3   GLN   30  20.01 +/- 2.05   0.001% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.87 +/- 2.14   0.001% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  16.13 +/- 1.84   0.002% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   GLN   30  14.56 +/- 1.64   0.004% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  12.33 +/- 1.10   0.012% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  20.58 +/- 2.65   0.001% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  22.01 +/- 1.92   0.000% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+ 111  26.92 +/- 2.54   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  27.81 +/- 2.76   0.000% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  17.30 +/- 1.92   0.001% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  20.96 +/- 1.63   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  23.14 +/- 2.66   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  23.03 +/- 4.05   0.000% *  0.0176% (0.18   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 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.995, support = 6.58, residual support = 313.4:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   3.05 +/- 0.35  91.102% * 92.1301% (1.00  10.0 10.00   6.62 315.47) =  99.356%  kept
        T QD    LYS+  33 - HG3   GLN   30   5.97 +/- 1.24   8.741% *  6.2279% (0.18   1.0 10.00   0.75   0.17) =   0.644%  kept
          QB    ALA   57 - HB2   LYS+ 111  12.24 +/- 1.27   0.026% *  0.0919% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   GLN   30  10.86 +/- 1.77   0.067% *  0.0155% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  13.19 +/- 1.57   0.019% *  0.0256% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.87 +/- 2.14   0.001% *  0.2297% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+ 111  17.04 +/- 1.37   0.003% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  16.13 +/- 1.84   0.005% *  0.0462% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LYS+ 111  27.12 +/- 2.28   0.000% *  0.8263% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   LYS+ 111  19.67 +/- 1.99   0.002% *  0.0770% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  12.33 +/- 1.10   0.026% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  16.01 +/- 1.42   0.005% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  28.49 +/- 2.92   0.000% *  0.1852% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  23.46 +/- 4.31   0.001% *  0.0166% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  23.14 +/- 2.66   0.001% *  0.0182% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  21.15 +/- 2.53   0.001% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 315.5:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.43 +/- 0.65  82.295% * 99.6189% (1.00 10.00   6.06 315.47) =  99.998%  kept
          HB2   CYS   21 - HG3   GLN   30   6.14 +/- 2.82  17.664% *  0.0113% (0.11  1.00   0.02   0.02) =   0.002%
          HB2   PHE   45 - HB2   LYS+ 111  14.55 +/- 1.75   0.019% *  0.0942% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  14.81 +/- 1.22   0.020% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG3   GLN   30  25.28 +/- 1.94   0.001% *  0.2002% (0.20 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB2   LYS+ 111  25.20 +/- 2.13   0.001% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.86 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 = 315.5:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   3.46 +/- 0.42  99.856% * 99.9354% (1.00  10.0 10.00   7.31 315.47) = 100.000%  kept
          HA    PRO   52 - HG2   LYS+ 111  12.01 +/- 1.94   0.144% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.4:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.75 +/- 0.09  87.091% * 98.9314% (1.00  10.0 10.00   7.31 315.47) =  99.992%  kept
          QB    GLU- 114 - HG2   LYS+ 111   4.72 +/- 1.59  12.899% *  0.0560% (0.57   1.0  1.00   0.02   0.11) =   0.008%
          HB    ILE  119 - HG2   LYS+ 111  13.06 +/- 1.50   0.009% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   LYS+ 111  26.94 +/- 3.12   0.000% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  25.15 +/- 3.98   0.000% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  25.09 +/- 2.70   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  24.39 +/- 4.16   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  26.13 +/- 2.34   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  25.74 +/- 2.65   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  31.17 +/- 2.60   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  26.78 +/- 2.55   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  28.48 +/- 2.84   0.000% *  0.0275% (0.28   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 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 = 315.5:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  99.994% * 98.1828% (1.00  10.0 10.00   6.98 315.47) = 100.000%  kept
        T HG12  ILE   89 - HG2   LYS+ 111  16.99 +/- 3.95   0.001% *  0.9731% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG2   LYS+ 111   9.60 +/- 1.07   0.005% *  0.0368% (0.38   1.0  1.00   0.02  28.12) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+ 111  20.91 +/- 2.80   0.000% *  0.3685% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  24.49 +/- 2.92   0.000% *  0.3349% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  24.65 +/- 2.82   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  25.89 +/- 2.65   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  26.02 +/- 2.76   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 = 315.5:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.91 +/- 0.10  99.712% * 97.1375% (1.00  10.0 10.00   6.21 315.47) =  99.999%  kept
        T QD    LYS+ 106 - HG2   LYS+ 111  11.73 +/- 2.59   0.053% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 111  12.27 +/- 3.42   0.152% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 111  11.47 +/- 2.62   0.078% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+ 111  21.32 +/- 2.95   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+ 111  21.63 +/- 2.34   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  18.35 +/- 1.59   0.002% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  21.36 +/- 2.49   0.001% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 111  22.60 +/- 2.43   0.001% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+ 111  27.65 +/- 2.69   0.000% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  22.85 +/- 3.28   0.001% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.5:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.34 +/- 0.14  99.993% * 97.8296% (1.00  10.0 10.00   6.21 315.47) = 100.000%  kept
          QB    ALA   57 - HG2   LYS+ 111  13.07 +/- 1.43   0.004% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+ 111  20.39 +/- 2.52   0.000% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  21.36 +/- 2.49   0.000% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  14.75 +/- 1.80   0.002% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+ 111  27.87 +/- 2.55   0.000% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+ 111  19.01 +/- 1.34   0.000% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  22.85 +/- 3.28   0.000% *  0.0194% (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 1390 (3.06, 1.33, 24.92 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.5:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   2.94 +/- 0.33  99.954% * 99.8490% (1.00  10.0 10.00   5.62 315.47) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+ 111  14.55 +/- 2.44   0.045% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+ 111  25.66 +/- 2.66   0.000% *  0.0565% (0.57   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 1391 (4.53, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.5:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.49 +/- 0.45  99.974% * 99.8218% (1.00  10.0 10.00   7.31 315.47) = 100.000%  kept
          HA    PRO   52 - HG3   LYS+ 111  10.99 +/- 1.74   0.022% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG2   LYS+  74  19.20 +/- 2.22   0.001% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG2   LYS+  74  15.17 +/- 1.30   0.003% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 315.5:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.95 +/- 0.17  91.935% * 98.2440% (1.00  10.0 10.00   7.29 315.47) =  99.995%  kept
          QB    GLU- 114 - HG3   LYS+ 111   5.11 +/- 1.08   7.446% *  0.0556% (0.57   1.0  1.00   0.02   0.11) =   0.005%
        T HB    ILE   19 - HG2   LYS+  74   7.84 +/- 0.83   0.351% *  0.0511% (0.05   1.0 10.00   0.02   8.27) =   0.000%
        T HG3   GLN   30 - HG2   LYS+  74  10.35 +/- 1.57   0.076% *  0.0511% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  10.12 +/- 1.24   0.081% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  13.07 +/- 1.42   0.016% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  13.81 +/- 1.84   0.027% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  13.23 +/- 1.87   0.018% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG3   LYS+ 111  25.34 +/- 2.64   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   LYS+  74  20.35 +/- 2.17   0.001% *  0.1050% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   LYS+ 111  26.74 +/- 3.02   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  11.12 +/- 0.74   0.037% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  24.54 +/- 2.87   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  25.07 +/- 3.88   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  25.86 +/- 2.40   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  24.33 +/- 4.05   0.001% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  18.46 +/- 1.72   0.002% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  17.12 +/- 1.51   0.003% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  30.83 +/- 2.57   0.000% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  17.03 +/- 1.89   0.003% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  18.43 +/- 1.54   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  26.61 +/- 2.44   0.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  28.86 +/- 2.37   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  22.16 +/- 1.47   0.001% *  0.0029% (0.03   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 1393 (1.33, 1.22, 24.92 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 315.5:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  99.077% * 98.9181% (1.00  10.0 10.00   6.98 315.47) = 100.000%  kept
          HB3   ASP-  44 - HG2   LYS+  74   5.55 +/- 1.61   0.833% *  0.0077% (0.08   1.0  1.00   0.02   6.08) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 111  11.31 +/- 3.00   0.044% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  15.76 +/- 3.16   0.001% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  16.26 +/- 2.89   0.001% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   7.29 +/- 0.88   0.027% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74   9.86 +/- 1.09   0.004% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74   9.95 +/- 1.55   0.006% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74  11.90 +/- 1.52   0.001% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  15.98 +/- 1.84   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  14.51 +/- 2.28   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  10.73 +/- 0.98   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  20.91 +/- 2.80   0.000% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  17.43 +/- 2.35   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  20.31 +/- 1.14   0.000% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  19.77 +/- 1.43   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  15.26 +/- 0.92   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  23.40 +/- 2.66   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  20.32 +/- 1.92   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  14.47 +/- 1.50   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  22.72 +/- 0.82   0.000% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  25.22 +/- 2.50   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  15.38 +/- 1.16   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  28.38 +/- 2.60   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  31.74 +/- 2.68   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  21.13 +/- 1.92   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 = 315.5:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.74 +/- 0.19  98.748% * 96.7411% (1.00  10.0 10.00   5.40 315.47) =  99.999%  kept
          HG3   PRO   93 - HG3   LYS+ 111  11.41 +/- 3.68   0.414% *  0.0839% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+ 111  12.16 +/- 2.11   0.023% *  0.7025% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 111  10.88 +/- 2.66   0.138% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  74   6.60 +/- 0.42   0.565% *  0.0093% (0.10   1.0  1.00   0.02  40.69) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  11.39 +/- 1.97   0.046% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+ 111  21.69 +/- 2.59   0.000% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+ 111  22.09 +/- 2.03   0.000% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  74  15.80 +/- 1.35   0.004% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  13.24 +/- 2.34   0.016% *  0.0160% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.93 +/- 2.69   0.001% *  0.1493% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  18.56 +/- 1.47   0.001% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  18.52 +/- 1.25   0.001% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  13.49 +/- 1.23   0.009% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  74  21.65 +/- 2.72   0.001% *  0.1034% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.06 +/- 1.06   0.028% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  20.04 +/- 1.23   0.001% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+ 111  22.33 +/- 2.30   0.000% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  27.94 +/- 2.46   0.000% *  0.2986% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.34 +/- 0.91   0.000% *  0.0319% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.65 +/- 3.13   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  21.26 +/- 2.33   0.001% *  0.0093% (0.10   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 1396 (1.64, 1.22, 24.92 ppm):
    16 chemical-shift based assignments, quality = 0.91, support = 5.41, residual support = 302.8:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.88 +/- 0.16  44.697% * 89.7666% (1.00  10.0 10.00   5.40 315.47) =  90.082%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.78 +/- 0.21  55.129% *  8.0133% (0.09  10.0 10.00   5.54 187.57) =   9.918%  kept
          QB    ALA   57 - HG2   LYS+  74   8.48 +/- 1.74   0.130% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  12.34 +/- 1.79   0.010% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  19.81 +/- 2.58   0.001% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  14.05 +/- 1.23   0.004% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  13.24 +/- 2.34   0.008% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.93 +/- 2.69   0.000% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  15.19 +/- 1.33   0.002% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.74 +/- 2.40   0.000% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.20 +/- 1.16   0.001% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  22.44 +/- 2.61   0.000% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.06 +/- 1.06   0.016% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.65 +/- 3.13   0.000% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.70 +/- 2.57   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  19.43 +/- 1.56   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1397 (3.06, 1.22, 24.92 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.5:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.23 +/- 0.46  99.247% * 99.7265% (1.00  10.0 10.00   5.44 315.47) = 100.000%  kept
          HB2   CYS   21 - HG2   LYS+  74   6.83 +/- 1.48   0.676% *  0.0060% (0.06   1.0  1.00   0.02  13.13) =   0.000%
          HB2   PHE   45 - HG3   LYS+ 111  14.13 +/- 2.33   0.017% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG2   LYS+  74   8.37 +/- 0.69   0.059% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG2   LYS+  74  19.47 +/- 2.24   0.001% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  25.26 +/- 2.49   0.000% *  0.0565% (0.57   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 1398 (4.53, 1.69, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.5:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   3.17 +/- 0.47  99.858% * 99.4172% (1.00 10.00   6.21 315.47) = 100.000%  kept
          HA    PRO   52 - HD2   LYS+ 111  12.20 +/- 2.04   0.132% *  0.0643% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  19.36 +/- 2.42   0.003% *  0.1523% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+ 102  22.19 +/- 1.48   0.001% *  0.2599% (0.26 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  18.49 +/- 1.46   0.004% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  38  27.44 +/- 1.64   0.000% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  25.69 +/- 1.48   0.001% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  30.34 +/- 1.03   0.000% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 315.5:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.40 +/- 0.50  85.412% * 97.9440% (1.00  10.0 10.00   6.62 315.47) =  99.997%  kept
          QB    GLU- 114 - HD2   LYS+ 111   4.93 +/- 1.36   3.487% *  0.0555% (0.57   1.0  1.00   0.02   0.11) =   0.002%
          HB2   GLN   17 - QD    LYS+  65   6.17 +/- 2.14   4.240% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+  38   4.82 +/- 1.98   5.494% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   9.61 +/- 2.06   0.575% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   7.91 +/- 1.42   0.300% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+ 102   8.02 +/- 1.94   0.229% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   9.75 +/- 1.87   0.207% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+ 102  16.55 +/- 2.00   0.002% *  0.1246% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  12.83 +/- 1.35   0.006% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  16.13 +/- 1.84   0.001% *  0.0730% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  14.60 +/- 1.05   0.003% *  0.0359% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  11.53 +/- 1.68   0.013% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.87 +/- 2.14   0.000% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+ 102  21.66 +/- 1.79   0.000% *  0.2561% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   LYS+ 111  27.81 +/- 2.76   0.000% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.48 +/- 1.27   0.006% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  16.58 +/- 1.48   0.001% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  15.25 +/- 2.15   0.003% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  25.11 +/- 3.87   0.000% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.78 +/- 1.67   0.002% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  25.26 +/- 2.55   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  15.02 +/- 1.54   0.002% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  15.60 +/- 1.53   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  21.03 +/- 2.27   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  24.31 +/- 4.06   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  26.30 +/- 2.26   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  26.34 +/- 2.43   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  20.63 +/- 1.43   0.000% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  13.41 +/- 0.81   0.004% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  20.91 +/- 1.92   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  14.91 +/- 1.74   0.002% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  20.25 +/- 1.84   0.000% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  26.92 +/- 2.54   0.000% *  0.0737% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  16.34 +/- 1.17   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  20.41 +/- 2.45   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  32.25 +/- 2.65   0.000% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  17.65 +/- 1.69   0.001% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  24.22 +/- 1.35   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  22.58 +/- 1.62   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  21.04 +/- 1.06   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  19.91 +/- 2.56   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  27.66 +/- 2.16   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  21.43 +/- 0.83   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  21.18 +/- 1.73   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  29.39 +/- 2.28   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.95 +/- 1.63   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  20.99 +/- 2.78   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.857, support = 6.14, residual support = 300.8:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.91 +/- 0.10  24.875% * 90.8110% (1.00  10.0 10.00   6.21 315.47) =  84.758%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.40 +/- 0.17  74.205% *  5.4729% (0.06  10.0 10.00   5.75 219.14) =  15.238%  kept
        T HB3   PRO   93 - HD2   LYS+ 111  12.76 +/- 2.92   0.199% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  99 - QD    LYS+  38   6.13 +/- 1.04   0.443% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - QD    LYS+ 102   8.84 +/- 1.70   0.060% *  0.2129% (0.23   1.0 10.00   0.02   1.70) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   7.65 +/- 1.08   0.104% *  0.0106% (0.12   1.0  1.00   0.02   2.23) =   0.000%
        T HG2   LYS+  38 - QD    LYS+ 102  13.00 +/- 1.74   0.004% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.35 +/- 0.57   0.051% *  0.0116% (0.13   1.0  1.00   0.02   1.48) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.90 +/- 2.93   0.004% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 102  12.38 +/- 1.56   0.005% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.59 +/- 2.54   0.002% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  12.83 +/- 2.54   0.008% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  15.89 +/- 2.48   0.004% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.64 +/- 1.49   0.005% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.56 +/- 2.36   0.000% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+ 102  21.63 +/- 2.34   0.000% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  17.32 +/- 2.04   0.001% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  11.80 +/- 0.67   0.005% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.78 +/- 1.39   0.000% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.18 +/- 1.74   0.004% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  21.36 +/- 2.49   0.000% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  18.86 +/- 2.58   0.001% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  15.85 +/- 5.35   0.005% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.64 +/- 1.05   0.000% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.22 +/- 1.70   0.000% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.24 +/- 1.20   0.005% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  15.16 +/- 1.89   0.002% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  17.37 +/- 1.72   0.001% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  32.23 +/- 2.58   0.000% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  24.98 +/- 2.86   0.000% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  17.56 +/- 1.10   0.001% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  18.79 +/- 3.98   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.18 +/- 1.71   0.000% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  19.39 +/- 1.55   0.000% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  15.76 +/- 1.53   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  16.05 +/- 1.34   0.001% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  20.95 +/- 1.25   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.65 +/- 2.69   0.000% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  29.45 +/- 2.42   0.000% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.52 +/- 1.54   0.000% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  19.08 +/- 1.26   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  18.80 +/- 1.25   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.47 +/- 1.27   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.03 +/- 1.04   0.000% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  19.99 +/- 1.26   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.82 +/- 0.65   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  21.91 +/- 1.11   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  22.67 +/- 0.93   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  20.91 +/- 1.70   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  20.88 +/- 1.17   0.000% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  20.34 +/- 0.83   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  24.55 +/- 0.95   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1401 (1.22, 1.69, 29.56 ppm):
    32 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.5:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.74 +/- 0.19  98.400% * 98.1177% (1.00  10.0 10.00   5.40 315.47) =  99.999%  kept
        T HG3   LYS+  99 - QD    LYS+  38   6.62 +/- 1.01   0.922% *  0.0252% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 102   8.83 +/- 1.51   0.154% *  0.0875% (0.09   1.0 10.00   0.02   1.70) =   0.000%
          HD2   LYS+ 112 - HD2   LYS+ 111   8.84 +/- 1.33   0.317% *  0.0368% (0.38   1.0  1.00   0.02  28.12) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  13.24 +/- 2.34   0.016% *  0.0564% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+ 111  18.49 +/- 4.03   0.006% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  21.65 +/- 2.72   0.001% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  14.83 +/- 2.48   0.007% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  10.06 +/- 1.43   0.062% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  10.48 +/- 1.08   0.042% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.72 +/- 1.02   0.036% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 102  22.09 +/- 2.03   0.000% *  0.2565% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.93 +/- 2.69   0.001% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 102  20.04 +/- 1.23   0.001% *  0.0963% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  25.22 +/- 2.48   0.000% *  0.3347% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  14.61 +/- 1.17   0.005% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.60 +/- 0.83   0.007% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  15.23 +/- 1.17   0.004% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.97 +/- 1.61   0.001% *  0.0513% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  14.03 +/- 1.12   0.007% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.73 +/- 2.43   0.005% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.34 +/- 0.91   0.000% *  0.0277% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  25.28 +/- 2.49   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  27.94 +/- 2.46   0.000% *  0.0738% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.54 +/- 2.27   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  22.76 +/- 1.22   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  21.12 +/- 1.69   0.001% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  22.68 +/- 1.85   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  26.50 +/- 2.47   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  17.68 +/- 2.03   0.002% *  0.0015% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  24.81 +/- 2.42   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  27.95 +/- 1.76   0.000% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.14 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 = 315.5:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.26 +/- 0.13  99.969% * 99.2899% (1.00  10.0 10.00   4.97 315.47) = 100.000%  kept
          HB2   PHE   45 - HD2   LYS+ 111  15.65 +/- 2.49   0.027% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+ 102  20.82 +/- 1.58   0.000% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.48 +/- 2.11   0.000% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  16.91 +/- 1.51   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  15.88 +/- 1.98   0.001% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  17.29 +/- 1.38   0.001% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  19.01 +/- 2.68   0.000% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  26.53 +/- 2.63   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  26.10 +/- 1.61   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  18.98 +/- 1.72   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  22.03 +/- 0.74   0.000% *  0.0071% (0.07   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 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.5:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   4.11 +/- 0.33  99.733% * 98.7339% (1.00 10.00   6.21 315.47) = 100.000%  kept
          HA    PRO   52 - HD3   LYS+ 111  12.84 +/- 2.06   0.235% *  0.0639% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  19.36 +/- 2.42   0.014% *  0.2444% (0.25 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  33  26.83 +/- 1.70   0.001% *  0.8848% (0.90 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  18.49 +/- 1.46   0.015% *  0.0158% (0.16  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  33  26.35 +/- 1.50   0.002% *  0.0572% (0.58  1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1406 (2.02, 1.64, 29.56 ppm):
    36 chemical-shift based assignments, quality = 0.999, support = 6.61, residual support = 315.3:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   3.05 +/- 0.35  71.362% * 96.6565% (1.00  10.0 10.00   6.62 315.47) =  99.949%  kept
        T HG3   GLN   30 - QD    LYS+  33   5.97 +/- 1.24   6.367% *  0.4216% (0.44   1.0 10.00   0.02   0.17) =   0.039%
          QB    GLU- 114 - HD3   LYS+ 111   5.35 +/- 1.61   9.796% *  0.0547% (0.57   1.0  1.00   0.02   0.11) =   0.008%
          HB2   GLN   17 - QD    LYS+  65   6.17 +/- 2.14   6.554% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - QD    LYS+  33   5.46 +/- 1.03   4.006% *  0.0193% (0.20   1.0  1.00   0.02   0.17) =   0.001%
          QB    GLU-  15 - QD    LYS+  33   8.82 +/- 2.33   0.578% *  0.0858% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - QD    LYS+  65   7.91 +/- 1.42   0.469% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  33   8.54 +/- 1.67   0.242% *  0.0422% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   9.61 +/- 2.06   0.288% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  33  14.01 +/- 2.49   0.033% *  0.0751% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  33  12.46 +/- 1.58   0.022% *  0.0777% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   9.75 +/- 1.87   0.154% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  33  13.21 +/- 1.58   0.014% *  0.0858% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  33  14.41 +/- 2.12   0.014% *  0.0356% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  33  12.93 +/- 2.09   0.020% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  16.13 +/- 1.84   0.004% *  0.1165% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  11.53 +/- 1.68   0.037% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.87 +/- 2.14   0.001% *  0.2393% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  13.79 +/- 1.42   0.009% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  33  27.12 +/- 2.28   0.000% *  0.8662% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.48 +/- 1.27   0.020% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   LYS+ 111  28.49 +/- 2.92   0.000% *  0.4705% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.78 +/- 1.67   0.003% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  22.09 +/- 1.53   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  26.11 +/- 4.24   0.000% *  0.0838% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  26.35 +/- 2.54   0.000% *  0.0958% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  16.34 +/- 1.17   0.003% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  20.99 +/- 2.69   0.001% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  27.24 +/- 2.26   0.000% *  0.0958% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  25.33 +/- 4.39   0.000% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  22.58 +/- 1.62   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  27.22 +/- 2.45   0.000% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  32.77 +/- 2.57   0.000% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.95 +/- 1.63   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  28.34 +/- 2.33   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  29.77 +/- 2.71   0.000% *  0.0269% (0.28   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 1407 (1.33, 1.64, 29.56 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.5:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.34 +/- 0.14  99.765% * 96.9774% (1.00  10.0 10.00   6.21 315.47) = 100.000%  kept
          HB2   LEU   31 - QD    LYS+  33   7.90 +/- 0.95   0.095% *  0.0861% (0.89   1.0  1.00   0.02   0.55) =   0.000%
          HG2   LYS+  38 - QD    LYS+  33  10.17 +/- 0.65   0.017% *  0.0696% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.35 +/- 0.57   0.056% *  0.0201% (0.21   1.0  1.00   0.02   1.48) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  13.45 +/- 2.66   0.029% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+  33  13.25 +/- 1.20   0.004% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD3   LYS+ 111  17.70 +/- 2.91   0.002% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.45 +/- 1.12   0.004% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  15.17 +/- 0.85   0.002% *  0.0631% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  15.89 +/- 1.52   0.001% *  0.0802% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  17.65 +/- 2.63   0.001% *  0.0810% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  16.22 +/- 2.12   0.001% *  0.0726% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.64 +/- 1.49   0.005% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.78 +/- 1.39   0.000% *  0.2153% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.18 +/- 1.74   0.005% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  21.36 +/- 2.49   0.000% *  0.2401% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  17.06 +/- 2.16   0.001% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  33  27.87 +/- 2.55   0.000% *  0.8690% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  33  18.74 +/- 4.35   0.001% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  16.17 +/- 2.36   0.002% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.64 +/- 1.05   0.000% *  0.1922% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  18.94 +/- 2.52   0.001% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  17.15 +/- 1.18   0.001% *  0.0296% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  19.85 +/- 1.82   0.000% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  16.10 +/- 0.84   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  19.91 +/- 1.19   0.000% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  25.32 +/- 2.85   0.000% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  21.54 +/- 2.09   0.000% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  16.05 +/- 1.34   0.001% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  20.77 +/- 1.57   0.000% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  26.03 +/- 2.84   0.000% *  0.0870% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  20.95 +/- 1.25   0.000% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.52 +/- 1.54   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  19.08 +/- 1.26   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.47 +/- 1.27   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  29.94 +/- 2.57   0.000% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  19.99 +/- 1.26   0.000% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  32.78 +/- 2.89   0.000% *  0.0777% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  22.67 +/- 0.93   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.5:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.88 +/- 0.16  94.122% * 97.4498% (1.00  10.0 10.00   5.40 315.47) =  99.998%  kept
          HG    LEU   71 - QD    LYS+  33   5.61 +/- 1.41   4.421% *  0.0359% (0.37   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   71 - QD    LYS+  33   6.95 +/- 1.20   0.895% *  0.0392% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  33   8.87 +/- 2.06   0.306% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HD3   LYS+ 111   9.99 +/- 1.13   0.093% *  0.0366% (0.38   1.0  1.00   0.02  28.12) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  33  14.05 +/- 1.23   0.009% *  0.3277% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 111  18.50 +/- 4.08   0.018% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  13.24 +/- 2.34   0.019% *  0.0905% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  10.06 +/- 1.43   0.078% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD3   LYS+ 111  22.44 +/- 2.61   0.001% *  0.3657% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD    LYS+  33  13.87 +/- 1.44   0.009% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.93 +/- 2.69   0.001% *  0.2412% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  33  27.74 +/- 2.40   0.000% *  0.8733% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.60 +/- 0.83   0.010% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.97 +/- 1.61   0.001% *  0.0823% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  14.03 +/- 1.12   0.008% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  20.35 +/- 1.90   0.001% *  0.0866% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.73 +/- 2.43   0.006% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  26.06 +/- 2.75   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  22.76 +/- 1.22   0.000% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  25.67 +/- 2.92   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  27.31 +/- 2.52   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  25.90 +/- 1.95   0.000% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  27.44 +/- 2.53   0.000% *  0.0193% (0.20   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 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 = 315.5:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.50 +/- 0.12  99.955% * 98.5534% (1.00  10.0 10.00   4.97 315.47) = 100.000%  kept
          HB2   CYS   21 - QD    LYS+  33  10.26 +/- 1.39   0.035% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HD3   LYS+ 111  16.14 +/- 2.45   0.006% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.48 +/- 2.11   0.001% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  33  26.00 +/- 1.46   0.000% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  33  18.24 +/- 0.83   0.001% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  15.88 +/- 1.98   0.002% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  17.29 +/- 1.38   0.001% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  27.25 +/- 2.62   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1412 (4.53, 3.06, 42.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.5:
    *   T HA    LYS+ 111 - QE    LYS+ 111   2.89 +/- 0.39  99.928% * 99.9354% (1.00 10.00   5.62 315.47) = 100.000%  kept
          HA    PRO   52 - QE    LYS+ 111  10.18 +/- 1.81   0.072% *  0.0646% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 315.5:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.43 +/- 0.65  90.922% * 98.9314% (1.00 10.00   6.06 315.47) =  99.994%  kept
          QB    GLU- 114 - QE    LYS+ 111   5.33 +/- 0.90   9.020% *  0.0560% (0.57  1.00   0.02   0.11) =   0.006%
          HB    ILE  119 - QE    LYS+ 111  12.55 +/- 1.15   0.048% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QE    LYS+ 111  25.28 +/- 1.94   0.001% *  0.4816% (0.49 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QE    LYS+ 111  23.49 +/- 3.12   0.002% *  0.0858% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  23.06 +/- 2.22   0.001% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  24.16 +/- 1.85   0.001% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  22.77 +/- 3.31   0.002% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  23.95 +/- 1.87   0.001% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  28.84 +/- 2.21   0.000% *  0.0887% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  25.18 +/- 1.42   0.001% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  27.07 +/- 1.31   0.001% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.5:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   2.94 +/- 0.33  99.400% * 99.2615% (1.00  10.0 10.00   5.62 315.47) = 100.000%  kept
          HB3   PRO   93 - QE    LYS+ 111  11.25 +/- 2.43   0.518% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QE    LYS+ 111  15.44 +/- 2.31   0.018% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QE    LYS+ 111  15.63 +/- 2.20   0.014% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QE    LYS+ 111  15.01 +/- 1.83   0.011% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QE    LYS+ 111  13.87 +/- 2.09   0.025% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 111  16.46 +/- 2.19   0.007% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  18.19 +/- 1.45   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QE    LYS+ 111  22.16 +/- 2.27   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  19.52 +/- 1.00   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  23.80 +/- 1.52   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  26.76 +/- 1.71   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  29.67 +/- 1.69   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.5:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.23 +/- 0.46  99.667% * 99.3524% (1.00  10.0 10.00   5.44 315.47) = 100.000%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   7.90 +/- 1.36   0.325% *  0.0373% (0.38   1.0  1.00   0.02  28.12) =   0.000%
          HG12  ILE   89 - QE    LYS+ 111  16.17 +/- 3.50   0.006% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QE    LYS+ 111  19.47 +/- 2.24   0.001% *  0.3729% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QE    LYS+ 111  23.36 +/- 1.65   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  24.45 +/- 1.57   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  23.52 +/- 1.47   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  24.16 +/- 1.99   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.5:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.26 +/- 0.13  99.290% * 98.3525% (1.00  10.0 10.00   4.97 315.47) =  99.999%  kept
          HG3   PRO   93 - QE    LYS+ 111  11.10 +/- 3.19   0.612% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QE    LYS+ 111  10.54 +/- 2.61   0.089% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QE    LYS+ 111  11.99 +/- 1.25   0.007% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+ 111  20.82 +/- 1.58   0.000% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  17.30 +/- 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  19.48 +/- 2.11   0.000% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  21.34 +/- 1.55   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  20.49 +/- 1.66   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  26.10 +/- 1.61   0.000% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  21.50 +/- 2.54   0.000% *  0.0195% (0.20   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 1417 (1.64, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.5:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.50 +/- 0.12  99.982% * 98.5544% (1.00  10.0 10.00   4.97 315.47) = 100.000%  kept
          QB    ALA   57 - QE    LYS+ 111  11.74 +/- 1.58   0.013% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.48 +/- 2.11   0.001% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  14.49 +/- 1.08   0.003% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+ 111  26.00 +/- 1.46   0.000% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+ 111  17.85 +/- 1.23   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+ 111  18.92 +/- 2.12   0.001% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  21.50 +/- 2.54   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 231.1:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.84 +/- 0.12  95.488% * 98.3538% (1.00  10.0 10.00   6.00 231.10) =  99.998%  kept
          HB3   PRO   93 - HA    LYS+ 112   9.40 +/- 2.44   4.472% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HB    VAL   42 - HA    LYS+ 112  16.38 +/- 1.51   0.003% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LYS+ 112  14.35 +/- 1.14   0.007% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LYS+ 112  16.71 +/- 2.17   0.004% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 112  12.50 +/- 1.67   0.016% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 112  19.33 +/- 1.47   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  17.48 +/- 1.95   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  16.21 +/- 1.56   0.004% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  18.04 +/- 1.36   0.002% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  18.73 +/- 1.45   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  24.37 +/- 1.70   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  27.13 +/- 1.58   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  26.36 +/- 2.54   0.000% *  0.0517% (0.53   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 1421 (0.36, 3.46, 61.33 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 231.1:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   2.74 +/- 0.75  99.894% * 99.8441% (1.00  10.0 10.00   6.08 231.10) = 100.000%  kept
          QB    ALA   47 - HA    LYS+ 112  12.12 +/- 1.49   0.069% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HA    LYS+ 112  12.01 +/- 1.11   0.037% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.1:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   2.89 +/- 0.51  99.749% * 99.8009% (1.00  10.0 10.00   5.76 231.10) = 100.000%  kept
          HG    LEU   63 - HA    LYS+ 112  11.23 +/- 2.15   0.119% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    LYS+ 112   9.35 +/- 0.88   0.126% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    LYS+ 112  17.33 +/- 1.72   0.004% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LYS+ 112  21.40 +/- 1.61   0.001% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.803, support = 6.11, residual support = 231.1:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.74 +/- 0.23  86.015% * 43.2573% (0.76  10.0 10.00   6.26 231.10) =  83.478%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   4.23 +/- 0.67  13.010% * 56.6026% (1.00   1.0 10.00   5.37 231.10) =  16.521%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.40 +/- 0.56   0.872% *  0.0212% (0.38   1.0  1.00   0.02  28.12) =   0.000%
          QG2   THR   94 - HA    LYS+ 112   9.40 +/- 1.37   0.099% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 112  17.29 +/- 3.16   0.004% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 112  21.01 +/- 1.58   0.000% *  0.0561% (0.99   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 1424 (3.46, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.1:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.84 +/- 0.12  99.324% * 98.8850% (1.00  10.0 10.00   6.00 231.10) =  99.999%  kept
          HB2   HIS  122 - HB    VAL   42   9.44 +/- 4.07   0.630% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 112 - HB    VAL   42  16.38 +/- 1.51   0.003% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LYS+ 112  15.28 +/- 2.91   0.031% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB    VAL   42  13.59 +/- 1.01   0.009% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB2   LYS+ 112  16.69 +/- 1.49   0.003% *  0.0887% (0.90   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 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 = 0.775, support = 4.91, residual support = 121.8:
      O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.01  81.829% * 40.6012% (0.70  10.0 10.00   4.34  87.33) =  76.031%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.79 +/- 0.23  18.165% * 57.6594% (1.00  10.0 10.00   6.74 231.10) =  23.969%  kept
        T QB    ALA   47 - HB2   LYS+ 112  12.77 +/- 1.91   0.004% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  13.77 +/- 1.16   0.001% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  15.39 +/- 0.55   0.001% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  17.48 +/- 2.01   0.000% *  0.4861% (0.84   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1427 (1.05, 1.37, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.1:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.69 +/- 0.33  99.414% * 98.8037% (1.00  10.0 10.00   5.76 231.10) = 100.000%  kept
          HG    LEU   63 - HB    VAL   42   8.46 +/- 2.03   0.430% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL   42   9.11 +/- 0.58   0.083% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB    VAL   42  18.05 +/- 1.62   0.002% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB2   LYS+ 112  11.06 +/- 0.76   0.029% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB2   LYS+ 112  12.80 +/- 1.84   0.012% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB    VAL   42  12.23 +/- 0.95   0.018% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL   42  12.87 +/- 0.99   0.011% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LYS+ 112  23.08 +/- 1.96   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  19.61 +/- 1.36   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.775, support = 6.25, residual support = 231.1:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  96.293% * 42.8460% (0.76  10.0 10.00   6.26 231.10) =  95.525%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.28 +/- 0.45   3.447% * 56.0644% (1.00  10.0 10.00   6.08 231.10) =   4.475%  kept
          HB3   LEU   71 - HB    VAL   42   4.99 +/- 0.36   0.204% *  0.0468% (0.84   1.0  1.00   0.02   6.01) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+ 112   6.79 +/- 0.83   0.049% *  0.0210% (0.38   1.0  1.00   0.02  28.12) =   0.000%
          QG2   THR   94 - HB    VAL   42   9.86 +/- 0.70   0.003% *  0.0378% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HB2   LYS+ 112  11.14 +/- 1.28   0.002% *  0.0449% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 112 - HB    VAL   42  18.51 +/- 2.08   0.000% *  0.4726% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 112 - HB    VAL   42  18.36 +/- 1.64   0.000% *  0.3612% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  15.78 +/- 1.15   0.000% *  0.0146% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  19.08 +/- 3.62   0.000% *  0.0173% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  19.94 +/- 2.28   0.000% *  0.0177% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 112  23.10 +/- 1.46   0.000% *  0.0556% (0.99   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 = 231.1:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   2.74 +/- 0.75  99.928% * 99.8459% (1.00  10.0 10.00   6.08 231.10) = 100.000%  kept
          HB    THR   46 - HG2   LYS+ 112  13.94 +/- 2.99   0.066% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG2   LYS+ 112  16.27 +/- 1.38   0.005% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 231.1:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.79 +/- 0.23  95.571% * 98.3538% (1.00  10.0 10.00   6.74 231.10) =  99.998%  kept
          HB3   PRO   93 - HG2   LYS+ 112   9.81 +/- 3.14   4.395% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HB    VAL   42 - HG2   LYS+ 112  17.48 +/- 2.01   0.003% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG2   LYS+ 112  16.38 +/- 1.60   0.004% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG2   LYS+ 112  16.55 +/- 2.34   0.004% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+ 112  13.07 +/- 2.17   0.015% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 112  20.00 +/- 2.27   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  17.98 +/- 2.72   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  16.98 +/- 1.66   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  19.44 +/- 1.67   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  20.32 +/- 1.85   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  26.22 +/- 2.02   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  28.00 +/- 1.92   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  26.53 +/- 2.50   0.000% *  0.0517% (0.53   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 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 = 231.1:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  99.994% * 99.8009% (1.00  10.0 10.00   6.98 231.10) = 100.000%  kept
          HG    LEU   63 - HG2   LYS+ 112  11.88 +/- 2.67   0.003% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG2   LYS+ 112  10.92 +/- 1.42   0.003% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  22.06 +/- 2.37   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  19.20 +/- 2.06   0.000% *  0.0249% (0.25   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 1433 (1.20, 0.36, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.876, support = 6.72, residual support = 231.1:
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.66 +/- 0.25  59.127% * 43.2573% (0.76  10.0 10.00   7.00 231.10) =  52.604%  kept
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.84 +/- 0.26  40.712% * 56.6026% (1.00  10.0 10.00   6.41 231.10) =  47.395%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   7.79 +/- 0.80   0.130% *  0.0212% (0.38   1.0  1.00   0.02  28.12) =   0.000%
          QG2   THR   94 - HG2   LYS+ 112  10.63 +/- 1.57   0.029% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  18.32 +/- 3.83   0.002% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 112  22.00 +/- 1.84   0.000% *  0.0561% (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 1434 (3.46, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.1:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   2.89 +/- 0.51  99.912% * 99.8459% (1.00  10.0 10.00   5.76 231.10) = 100.000%  kept
          HB    THR   46 - HG3   LYS+ 112  14.11 +/- 2.94   0.085% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG3   LYS+ 112  16.98 +/- 1.17   0.003% *  0.0895% (0.90   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 1435 (1.37, 1.05, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.1:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.69 +/- 0.33  97.653% * 98.3538% (1.00  10.0 10.00   5.76 231.10) =  99.999%  kept
          HB3   PRO   93 - HG3   LYS+ 112   9.86 +/- 2.97   2.319% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   42 - HG3   LYS+ 112  18.05 +/- 1.62   0.001% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 112  16.56 +/- 1.50   0.003% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 112  17.23 +/- 2.41   0.003% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 112  13.46 +/- 1.90   0.013% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 112  17.92 +/- 2.79   0.004% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG3   LYS+ 112  20.47 +/- 1.90   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  17.63 +/- 1.82   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  19.78 +/- 1.45   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  20.68 +/- 1.74   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  26.50 +/- 1.77   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  28.50 +/- 1.84   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  27.02 +/- 2.57   0.000% *  0.0517% (0.53   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 1436 (0.36, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 231.1:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  99.995% * 99.8441% (1.00  10.0 10.00   6.98 231.10) = 100.000%  kept
          QB    ALA   47 - HG3   LYS+ 112  11.74 +/- 2.31   0.004% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HG3   LYS+ 112  13.32 +/- 1.27   0.001% *  0.0834% (0.84   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 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 = 0.935, support = 5.61, residual support = 231.1:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.43 +/- 0.12  66.677% * 56.6026% (1.00  10.0 10.00   5.44 231.10) =  72.449%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.76 +/- 0.25  33.178% * 43.2573% (0.76  10.0  1.00   6.05 231.10) =  27.551%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.21 +/- 0.76   0.125% *  0.0212% (0.38   1.0  1.00   0.02  28.12) =   0.000%
          QG2   THR   94 - HG3   LYS+ 112  10.68 +/- 1.77   0.018% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  18.23 +/- 3.91   0.001% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   LYS+ 112  22.58 +/- 1.66   0.000% *  0.0561% (0.99   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 1439 (3.46, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.37, residual support = 231.1:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   4.23 +/- 0.67  96.737% * 99.8459% (1.00 10.00   5.37 231.10) =  99.998%  kept
          HB    THR   46 - HD2   LYS+ 112  14.62 +/- 3.56   3.239% *  0.0646% (0.65  1.00   0.02   0.02) =   0.002%
          HB2   HIS  122 - HD2   LYS+ 112  17.19 +/- 1.92   0.024% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 231.1:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.28 +/- 0.45  95.249% * 98.3538% (1.00  10.0 10.00   6.08 231.10) =  99.998%  kept
          HB3   PRO   93 - HD2   LYS+ 112  10.76 +/- 3.40   4.646% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HB    VAL   42 - HD2   LYS+ 112  18.51 +/- 2.08   0.005% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HD2   LYS+ 112  16.58 +/- 2.46   0.014% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 112  14.00 +/- 2.12   0.050% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 112  18.78 +/- 3.33   0.014% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HD2   LYS+ 112  17.83 +/- 1.73   0.006% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD2   LYS+ 112  20.97 +/- 2.37   0.003% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  17.51 +/- 1.90   0.007% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  20.59 +/- 1.93   0.002% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  21.70 +/- 2.31   0.002% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  27.63 +/- 2.24   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  26.77 +/- 2.46   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  28.90 +/- 2.24   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1441 (0.36, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.41, residual support = 231.1:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.84 +/- 0.26  99.880% * 99.8441% (1.00  10.0 10.00   6.41 231.10) = 100.000%  kept
          QB    ALA   47 - HD2   LYS+ 112  12.35 +/- 2.76   0.108% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD2   LYS+ 112  13.72 +/- 1.67   0.012% *  0.0834% (0.84   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 1442 (1.05, 1.20, 29.98 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 231.1:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.43 +/- 0.12  99.973% * 99.8009% (1.00  10.0 10.00   5.44 231.10) = 100.000%  kept
          HG    LEU   63 - HD2   LYS+ 112  12.66 +/- 2.27   0.014% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HD2   LYS+ 112  12.01 +/- 1.79   0.013% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HD2   LYS+ 112  22.89 +/- 2.75   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  20.55 +/- 1.68   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1443 (1.20, 1.20, 29.98 ppm):
    1 diagonal assignment:
    *     HD2   LYS+ 112 - HD2   LYS+ 112  (1.00)  kept
 
    Peak 1444 (4.37, 4.37, 57.38 ppm):
    1 diagonal assignment:
    *     HA    ASP- 113 - HA    ASP- 113  (1.00)  kept
 
    Peak 1445 (2.68, 4.37, 57.38 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 13.9:
    * O T QB    ASP- 113 - HA    ASP- 113   2.47 +/- 0.11 100.000% *100.0000% (1.00  10.0 10.00   2.00  13.91) = 100.000%  kept
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1446 (4.37, 2.68, 39.79 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 13.9:
    * O T HA    ASP- 113 - QB    ASP- 113   2.47 +/- 0.11  99.947% * 99.1713% (1.00  10.0 10.00   2.00  13.91) = 100.000%  kept
        T HA    PHE   59 - QB    ASP- 113  10.95 +/- 1.36   0.019% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    ASP- 113   9.80 +/- 1.25   0.032% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    ASP- 113  14.96 +/- 0.91   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  20.99 +/- 1.38   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  27.31 +/- 1.46   0.000% *  0.0681% (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 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 = 0.934, support = 3.23, residual support = 48.3:
    * O T QB    GLU- 114 - HA    GLU- 114   2.29 +/- 0.14  74.111% * 63.8790% (0.97  10.0 10.00   3.12  43.78) =  95.915%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.83 +/- 0.14  21.933% *  6.0284% (0.09  10.0 10.00   6.16 226.29) =   2.679%  kept
        T QB    GLU- 114 - HA    LEU  115   4.27 +/- 0.39   2.358% * 29.3979% (0.44   1.0 10.00   4.66  14.91) =   1.405%  kept
          HB2   LYS+ 111 - HA    GLU- 114   5.24 +/- 1.21   1.081% *  0.0481% (0.73   1.0  1.00   0.02   0.11) =   0.001%
        T HB2   LEU  115 - HA    GLU- 114   5.66 +/- 0.20   0.332% *  0.1310% (0.20   1.0 10.00   0.02  14.91) =   0.001%
          HB2   LYS+ 111 - HA    LEU  115   7.23 +/- 1.61   0.161% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  16.29 +/- 3.66   0.006% *  0.0264% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  11.49 +/- 2.02   0.011% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  19.23 +/- 4.04   0.001% *  0.0574% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  17.19 +/- 3.30   0.002% *  0.0125% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.51 +/- 1.97   0.002% *  0.0147% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  20.12 +/- 3.93   0.001% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  18.26 +/- 1.29   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.21 +/- 1.31   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  19.32 +/- 1.50   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  22.56 +/- 1.30   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  22.86 +/- 1.59   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.49 +/- 1.40   0.000% *  0.0611% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  26.68 +/- 0.93   0.000% *  0.0288% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  30.60 +/- 1.11   0.000% *  0.0626% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  20.65 +/- 1.51   0.000% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  24.69 +/- 1.55   0.000% *  0.0090% (0.14   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 1450 (2.31, 4.14, 59.59 ppm):
    14 chemical-shift based assignments, quality = 0.896, support = 3.51, residual support = 38.3:
    * O T QG    GLU- 114 - HA    GLU- 114   2.94 +/- 0.45  66.465% * 68.1764% (1.00  10.0 10.00   3.31  43.78) =  81.172%  kept
        T QG    GLU- 114 - HA    LEU  115   4.19 +/- 1.29  33.499% * 31.3756% (0.46   1.0 10.00   4.36  14.91) =  18.828%  kept
          HG2   MET   92 - HA    GLU- 114  15.94 +/- 2.45   0.007% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    LEU  115  13.92 +/- 1.97   0.015% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU- 114  15.87 +/- 1.97   0.004% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    LEU  115  13.75 +/- 1.44   0.009% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  22.05 +/- 1.27   0.000% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU- 114  25.86 +/- 1.26   0.000% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  31.15 +/- 1.95   0.000% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  27.79 +/- 1.82   0.000% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  32.49 +/- 1.02   0.000% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  28.59 +/- 0.90   0.000% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  28.25 +/- 3.02   0.000% *  0.0107% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  31.91 +/- 3.08   0.000% *  0.0233% (0.34   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 1451 (4.14, 2.00, 29.90 ppm):
    8 chemical-shift based assignments, quality = 0.958, support = 3.16, residual support = 43.1:
    * O T HA    GLU- 114 - QB    GLU- 114   2.29 +/- 0.14  96.645% * 59.0968% (0.97  10.0 10.00   3.12  43.78) =  97.682%  kept
        T HA    LEU  115 - QB    GLU- 114   4.27 +/- 0.39   3.339% * 40.5940% (0.66   1.0 10.00   4.66  14.91) =   2.318%  kept
        T HA    ARG+  54 - QB    GLU- 114  13.85 +/- 1.26   0.003% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QB    GLU- 114  11.06 +/- 1.40   0.013% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  19.83 +/- 1.57   0.000% *  0.0570% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  21.78 +/- 1.65   0.000% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  22.58 +/- 1.38   0.000% *  0.0382% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  24.86 +/- 1.28   0.000% *  0.0494% (0.81   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 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 = 3.55, residual support = 43.8:
    * O T QG    GLU- 114 - QB    GLU- 114   2.10 +/- 0.03  99.991% * 99.1187% (0.96  10.0 10.00   3.55  43.78) = 100.000%  kept
          HG2   MET   92 - QB    GLU- 114  12.47 +/- 2.33   0.006% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QB    GLU- 114  12.67 +/- 1.88   0.003% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  25 - QB    GLU- 114  27.89 +/- 1.33   0.000% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  21.78 +/- 1.26   0.000% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  27.69 +/- 1.77   0.000% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  28.57 +/- 2.82   0.000% *  0.0339% (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 1454 (4.14, 2.31, 37.32 ppm):
    8 chemical-shift based assignments, quality = 0.917, support = 3.58, residual support = 36.4:
    * O T HA    GLU- 114 - QG    GLU- 114   2.94 +/- 0.45  66.439% * 59.1519% (1.00  10.0 10.00   3.31  43.78) =  74.284%  kept
        T HA    LEU  115 - QG    GLU- 114   4.19 +/- 1.29  33.483% * 40.6319% (0.69   1.0 10.00   4.36  14.91) =  25.716%  kept
          HA    CYS   53 - QG    GLU- 114  10.56 +/- 1.41   0.063% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  13.40 +/- 1.27   0.014% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  19.77 +/- 1.28   0.001% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  21.72 +/- 1.79   0.000% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  22.35 +/- 1.61   0.000% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  24.57 +/- 1.57   0.000% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.961, support = 3.53, residual support = 43.4:
    * O T QB    GLU- 114 - QG    GLU- 114   2.10 +/- 0.03  72.134% * 96.0959% (0.96  10.0 10.00   3.55  43.78) =  99.133%  kept
          HB2   LYS+ 111 - QG    GLU- 114   3.47 +/- 1.57  23.946% *  2.5281% (0.72   1.0  1.00   0.70   0.11) =   0.866%  kept
          HB2   LEU  115 - QG    GLU- 114   4.50 +/- 1.34   3.917% *  0.0197% (0.20   1.0  1.00   0.02  14.91) =   0.001%
          HG2   PRO   68 - QG    GLU- 114  18.09 +/- 3.47   0.001% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG    GLU- 114  12.60 +/- 1.76   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLU- 114  25.88 +/- 1.66   0.000% *  0.9419% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  18.82 +/- 3.29   0.001% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  20.31 +/- 1.60   0.000% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  19.86 +/- 1.29   0.000% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  20.52 +/- 1.50   0.000% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  21.21 +/- 1.88   0.000% *  0.0135% (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 = 0.589, support = 5.37, residual support = 179.0:
    * O T HB2   LEU  115 - HA    LEU  115   2.83 +/- 0.14  17.300% * 63.8902% (0.84  10.0 10.00   6.16 226.29) =  66.288%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.29 +/- 0.14  60.081% *  5.3954% (0.07  10.0 10.00   3.12  43.78) =  19.440%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.81 +/- 0.27  20.235% *  9.9598% (0.13  10.0  1.00   4.76 166.74) =  12.086%  kept
        T QB    GLU- 114 - HA    LEU  115   4.27 +/- 0.39   1.845% * 19.7195% (0.26   1.0 10.00   4.66  14.91) =   2.182%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.66 +/- 0.20   0.264% *  0.1748% (0.23   1.0 10.00   0.02  14.91) =   0.003%
          HG3   PRO   58 - HA    ARG+  54   6.20 +/- 1.05   0.245% *  0.0357% (0.47   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU  115 - HA    ARG+  54  11.37 +/- 0.84   0.005% *  0.3582% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  11.49 +/- 2.02   0.008% *  0.0637% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HA    ARG+  54  13.85 +/- 1.26   0.002% *  0.1106% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  16.29 +/- 3.66   0.005% *  0.0286% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LEU  115  14.26 +/- 1.90   0.002% *  0.0512% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  12.70 +/- 1.29   0.002% *  0.0188% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  14.64 +/- 1.03   0.001% *  0.0336% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.51 +/- 1.97   0.001% *  0.0174% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  14.73 +/- 0.96   0.001% *  0.0178% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  19.23 +/- 4.04   0.001% *  0.0078% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  18.64 +/- 1.53   0.000% *  0.0287% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  17.72 +/- 1.95   0.000% *  0.0140% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  17.71 +/- 1.97   0.000% *  0.0134% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.21 +/- 1.31   0.000% *  0.0240% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  21.86 +/- 2.68   0.000% *  0.0161% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  19.05 +/- 0.97   0.000% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  17.34 +/- 1.20   0.000% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.49 +/- 1.40   0.000% *  0.0066% (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 1459 (1.48, 4.12, 59.41 ppm):
    30 chemical-shift based assignments, quality = 0.396, support = 6.22, residual support = 226.3:
      O T HB3   LEU  115 - HA    LEU  115   2.31 +/- 0.15  86.329% * 25.2077% (0.26  10.0 10.00   6.28 226.29) =  70.452%  kept
    * O T HG    LEU  115 - HA    LEU  115   3.54 +/- 0.51  12.882% * 70.8443% (0.72  10.0 10.00   6.07 226.29) =  29.546%  kept
        T HG    LEU  115 - HA    GLU- 114   6.80 +/- 0.75   0.165% *  0.1938% (0.20   1.0 10.00   0.02  14.91) =   0.001%
        T HB3   LEU  115 - HA    GLU- 114   6.31 +/- 0.28   0.224% *  0.0690% (0.07   1.0 10.00   0.02  14.91) =   0.001%
          QB    ALA  120 - HA    LEU  115   7.14 +/- 0.52   0.107% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ARG+  54  11.27 +/- 1.72   0.010% *  0.3972% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU- 114   7.15 +/- 0.54   0.102% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    LEU  115  15.25 +/- 2.06   0.002% *  0.8095% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU  115   8.27 +/- 1.44   0.071% *  0.0182% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ARG+  54  11.31 +/- 0.97   0.007% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    LEU  115  14.62 +/- 2.72   0.003% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    LEU  115  13.81 +/- 2.05   0.003% *  0.2521% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114   8.69 +/- 2.00   0.082% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU- 114  18.02 +/- 2.23   0.001% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ARG+  54  13.08 +/- 1.48   0.003% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    LEU  115  18.92 +/- 1.14   0.000% *  0.2786% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  16.68 +/- 1.97   0.001% *  0.0690% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    ARG+  54  19.51 +/- 1.68   0.000% *  0.1883% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ARG+  54  22.92 +/- 1.18   0.000% *  0.4539% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ARG+  54  15.86 +/- 1.25   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  16.54 +/- 0.98   0.001% *  0.0495% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  15.37 +/- 1.44   0.001% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ARG+  54  21.55 +/- 0.94   0.000% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  14.93 +/- 1.92   0.001% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    GLU- 114  22.43 +/- 1.05   0.000% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  17.81 +/- 1.57   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  17.89 +/- 2.95   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  20.13 +/- 1.72   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  20.88 +/- 0.83   0.000% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  19.15 +/- 1.42   0.000% *  0.0062% (0.06   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 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.827, support = 6.14, residual support = 223.2:
    *   T QD1   LEU  115 - HA    LEU  115   3.69 +/- 0.58  93.625% * 78.0672% (0.84 10.00   6.16 226.29) =  98.559%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.26 +/- 0.83   4.978% * 21.3596% (0.23 10.00   4.46  14.91) =   1.434%  kept
        T QD1   LEU  115 - HA    ARG+  54   8.49 +/- 1.18   1.243% *  0.4377% (0.47 10.00   0.02   0.02) =   0.007%
          QG1   VAL   75 - HA    LEU  115  13.68 +/- 0.88   0.050% *  0.0738% (0.79  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    ARG+  54  12.54 +/- 1.07   0.088% *  0.0414% (0.44  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    GLU- 114  16.75 +/- 0.97   0.015% *  0.0202% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.801, support = 7.33, residual support = 224.3:
    *   T QD2   LEU  115 - HA    LEU  115   2.89 +/- 0.52  91.472% * 77.6784% (0.81 10.00   7.36 226.29) =  99.051%  kept
        T QD2   LEU  115 - HA    GLU- 114   5.88 +/- 0.62   3.184% * 21.2532% (0.22 10.00   4.46  14.91) =   0.943%  kept
          QD1   LEU   63 - HA    LEU  115   6.27 +/- 1.15   3.839% *  0.0761% (0.79  1.00   0.02   0.02) =   0.004%
        T QD2   LEU  115 - HA    ARG+  54   9.55 +/- 1.25   0.130% *  0.4355% (0.45 10.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    LEU  115   7.56 +/- 1.50   1.041% *  0.0302% (0.31  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    GLU- 114   9.26 +/- 1.21   0.129% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    ARG+  54  11.02 +/- 0.55   0.041% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    LEU  115  12.47 +/- 1.84   0.027% *  0.0615% (0.64  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114  10.26 +/- 1.52   0.078% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU  115  14.66 +/- 1.52   0.008% *  0.0761% (0.79  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    ARG+  54  12.97 +/- 0.96   0.015% *  0.0169% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  13.61 +/- 1.61   0.014% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  115  16.95 +/- 1.35   0.003% *  0.0761% (0.79  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    ARG+  54  15.68 +/- 1.31   0.005% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    ARG+  54  16.43 +/- 0.98   0.004% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  17.37 +/- 1.49   0.003% *  0.0248% (0.26  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLU- 114  17.93 +/- 1.35   0.002% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  17.70 +/- 1.63   0.003% *  0.0139% (0.14  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  20.93 +/- 1.27   0.001% *  0.0345% (0.36  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  20.05 +/- 1.43   0.001% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  20.09 +/- 1.49   0.001% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 6.16, residual support = 226.3:
    * O T HA    LEU  115 - HB2   LEU  115   2.83 +/- 0.14  98.365% * 98.0930% (0.84  10.0 10.00   6.16 226.29) =  99.993%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.66 +/- 0.20   1.604% *  0.4006% (0.34   1.0 10.00   0.02  14.91) =   0.007%
        T HA    ARG+  54 - HB2   LEU  115  11.37 +/- 0.84   0.027% *  1.0841% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   LEU  115  17.51 +/- 1.02   0.002% *  0.0981% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  22.96 +/- 1.58   0.000% *  0.0807% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  23.97 +/- 1.56   0.000% *  0.1019% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  22.65 +/- 1.69   0.000% *  0.0572% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  22.13 +/- 2.00   0.001% *  0.0483% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  29.35 +/- 1.58   0.000% *  0.0362% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.433, support = 6.14, residual support = 226.3:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  90.769% * 25.8976% (0.31  10.0 10.00   6.13 226.29) =  77.798%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.62 +/- 0.23   9.217% * 72.7830% (0.87  10.0 10.00   6.18 226.29) =  22.202%  kept
          QB    ALA  120 - HB2   LEU  115   8.19 +/- 0.64   0.010% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HB2   LEU  115  17.26 +/- 1.83   0.000% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU  115  15.84 +/- 1.80   0.000% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  10.66 +/- 1.44   0.002% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU  115  15.68 +/- 2.81   0.000% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU  115  16.54 +/- 1.22   0.000% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  15.29 +/- 1.53   0.000% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  19.46 +/- 1.10   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 = 226.3:
    * O T QD1   LEU  115 - HB2   LEU  115   2.39 +/- 0.30  99.997% * 99.9055% (1.00  10.0 10.00   6.00 226.29) = 100.000%  kept
          QG1   VAL   75 - HB2   LEU  115  13.90 +/- 0.95   0.003% *  0.0945% (0.95   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 1466 (0.59, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.21, residual support = 226.3:
    * O T QD2   LEU  115 - HB2   LEU  115   2.92 +/- 0.43  96.931% * 99.5578% (0.97  10.0 10.00   7.21 226.29) =  99.997%  kept
          QD1   LEU   63 - HB2   LEU  115   6.85 +/- 1.47   2.619% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - HB2   LEU  115   8.40 +/- 1.62   0.428% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   LEU  115  14.48 +/- 1.56   0.010% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU  115  15.61 +/- 1.37   0.006% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  115  17.32 +/- 1.55   0.004% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  115  17.98 +/- 1.88   0.003% *  0.0318% (0.31   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 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.724, support = 6.06, residual support = 226.2:
    * O T HA    LEU  115 - HG    LEU  115   3.54 +/- 0.51  95.526% * 97.1402% (0.72  10.0 10.00   6.07 226.29) =  99.984%  kept
        T HA    GLU- 114 - HG    LEU  115   6.80 +/- 0.75   2.776% *  0.3967% (0.30   1.0 10.00   0.02  14.91) =   0.012%
        T HA    ARG+  54 - HG    LEU  115  11.27 +/- 1.72   0.298% *  1.0736% (0.80   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   34 - HG    LEU   40   8.54 +/- 0.90   0.731% *  0.0271% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG    LEU   40  13.81 +/- 2.05   0.054% *  0.3299% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU   40  10.10 +/- 1.41   0.390% *  0.0192% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU   40  14.68 +/- 5.98   0.117% *  0.0330% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HG    LEU   40  16.68 +/- 1.97   0.018% *  0.1347% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU   40  14.04 +/- 1.44   0.038% *  0.0343% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU  115  16.75 +/- 1.67   0.012% *  0.0971% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG    LEU   40  21.55 +/- 0.94   0.002% *  0.3646% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  14.40 +/- 0.64   0.027% *  0.0122% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG    LEU  115  22.28 +/- 2.30   0.002% *  0.0799% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU  115  23.56 +/- 2.26   0.002% *  0.1009% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  22.17 +/- 2.55   0.003% *  0.0478% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  22.31 +/- 2.44   0.002% *  0.0566% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  22.21 +/- 1.06   0.002% *  0.0162% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  28.69 +/- 2.30   0.000% *  0.0359% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1468 (1.98, 1.48, 26.92 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 6.18, residual support = 226.3:
    * O T HB2   LEU  115 - HG    LEU  115   2.62 +/- 0.23  98.517% * 98.2266% (0.87  10.0 10.00   6.18 226.29) =  99.999%  kept
        T HB2   LEU   67 - HG    LEU   40   9.43 +/- 2.30   0.146% *  0.2671% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU  115   6.13 +/- 0.85   1.013% *  0.0303% (0.27   1.0  1.00   0.02  14.91) =   0.000%
          HG3   PRO   58 - HG    LEU  115   9.31 +/- 2.15   0.226% *  0.0980% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HG    LEU  115  14.44 +/- 2.38   0.009% *  0.7865% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HG    LEU   40  15.84 +/- 1.80   0.003% *  0.3336% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   40  10.74 +/- 1.92   0.040% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  14.00 +/- 1.69   0.006% *  0.0517% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  12.77 +/- 1.74   0.010% *  0.0273% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  16.75 +/- 3.56   0.005% *  0.0440% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU   40  13.13 +/- 1.58   0.010% *  0.0176% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  13.51 +/- 1.91   0.009% *  0.0125% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  14.90 +/- 1.82   0.005% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  18.98 +/- 1.64   0.001% *  0.0369% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  20.28 +/- 1.24   0.001% *  0.0333% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  23.86 +/- 0.95   0.000% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 5.91, residual support = 226.3:
    * O T QD1   LEU  115 - HG    LEU  115   2.10 +/- 0.01  99.993% * 99.5358% (0.87  10.0 10.00   5.91 226.29) = 100.000%  kept
        T QD1   LEU  115 - HG    LEU   40  13.30 +/- 2.34   0.003% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU  115  13.74 +/- 1.57   0.002% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU   40  13.03 +/- 0.85   0.002% *  0.0320% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1471 (0.59, 1.48, 26.92 ppm):
    14 chemical-shift based assignments, quality = 0.837, support = 7.07, residual support = 226.3:
    * O T QD2   LEU  115 - HG    LEU  115   2.10 +/- 0.02  96.796% * 99.0740% (0.84  10.0 10.00   7.07 226.29) =  99.998%  kept
          QD1   LEU   63 - HG    LEU  115   6.61 +/- 1.64   1.011% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HG    LEU   40   5.17 +/- 1.32   1.876% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG    LEU  115   8.03 +/- 1.69   0.091% *  0.0385% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU   40   7.75 +/- 1.25   0.072% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HG    LEU   40   8.52 +/- 1.53   0.062% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HG    LEU   40  12.23 +/- 2.36   0.004% *  0.3365% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU   40   7.79 +/- 1.67   0.082% *  0.0131% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG    LEU  115  14.18 +/- 2.10   0.002% *  0.0785% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU  115  15.13 +/- 2.08   0.001% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  17.11 +/- 2.08   0.000% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  14.08 +/- 1.10   0.001% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  14.05 +/- 1.30   0.001% *  0.0108% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  17.84 +/- 2.23   0.000% *  0.0317% (0.27   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 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.825, support = 6.12, residual support = 221.8:
    *   T HA    LEU  115 - QD1   LEU  115   3.69 +/- 0.58  93.709% * 70.2377% (0.84 10.00   6.16 226.29) =  97.860%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.26 +/- 0.83   4.983% * 28.6837% (0.34 10.00   4.46  14.91) =   2.125%  kept
        T HA    ARG+  54 - QD1   LEU  115   8.49 +/- 1.18   1.244% *  0.7762% (0.92 10.00   0.02   0.02) =   0.014%
          HA    ALA  124 - QD1   LEU  115  14.63 +/- 1.16   0.034% *  0.0702% (0.84  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD1   LEU  115  19.79 +/- 2.14   0.006% *  0.0729% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD1   LEU  115  18.96 +/- 2.21   0.007% *  0.0578% (0.69  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD1   LEU  115  18.28 +/- 2.00   0.010% *  0.0346% (0.41  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD1   LEU  115  19.22 +/- 2.37   0.006% *  0.0409% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  24.31 +/- 2.21   0.001% *  0.0260% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 226.3:
    * O T HB2   LEU  115 - QD1   LEU  115   2.39 +/- 0.30  91.899% * 99.6279% (1.00  10.0 10.00   6.00 226.29) =  99.995%  kept
          HG3   PRO   58 - QD1   LEU  115   6.89 +/- 2.42   2.586% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          QB    GLU- 114 - QD1   LEU  115   5.44 +/- 0.96   5.450% *  0.0307% (0.31   1.0  1.00   0.02  14.91) =   0.002%
          HB2   LEU   67 - QD1   LEU  115  12.30 +/- 1.85   0.014% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU  115  11.41 +/- 1.62   0.017% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD1   LEU  115   9.69 +/- 1.09   0.027% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   LEU  115  14.25 +/- 3.08   0.006% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  15.71 +/- 1.44   0.002% *  0.0374% (0.38   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 1474 (1.48, 0.43, 25.13 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 5.93, residual support = 226.3:
    * O T HG    LEU  115 - QD1   LEU  115   2.10 +/- 0.01  73.373% * 72.7830% (0.87  10.0 10.00   5.91 226.29) =  88.601%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.58 +/- 0.35  26.529% * 25.8976% (0.31  10.0 10.00   6.13 226.29) =  11.398%  kept
          QB    ALA  120 - QD1   LEU  115   7.25 +/- 0.98   0.071% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD1   LEU  115  14.45 +/- 2.31   0.001% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD1   LEU  115  13.30 +/- 2.34   0.002% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115   9.82 +/- 1.43   0.015% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   LEU  115  12.69 +/- 2.16   0.004% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU  115  13.05 +/- 1.71   0.002% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  11.87 +/- 1.49   0.003% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  15.76 +/- 1.46   0.000% *  0.0286% (0.34   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 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 = 7.19, residual support = 226.3:
    * O T QD2   LEU  115 - QD1   LEU  115   2.02 +/- 0.06  99.153% * 99.5578% (0.97  10.0 10.00   7.19 226.29) =  99.999%  kept
          QD1   LEU   63 - QD1   LEU  115   5.73 +/- 1.18   0.724% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - QD1   LEU  115   7.05 +/- 1.22   0.115% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QD1   LEU  115  12.48 +/- 2.01   0.004% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD1   LEU  115  12.73 +/- 1.86   0.002% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   LEU  115  14.18 +/- 1.65   0.001% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  14.90 +/- 2.01   0.001% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1477 (4.12, 0.59, 23.43 ppm):
    9 chemical-shift based assignments, quality = 0.798, support = 7.31, residual support = 222.7:
    *   T HA    LEU  115 - QD2   LEU  115   2.89 +/- 0.52  95.827% * 70.2377% (0.81 10.00   7.36 226.29) =  98.319%  kept
        T HA    GLU- 114 - QD2   LEU  115   5.88 +/- 0.62   4.009% * 28.6837% (0.33 10.00   4.46  14.91) =   1.680%  kept
        T HA    ARG+  54 - QD2   LEU  115   9.55 +/- 1.25   0.136% *  0.7762% (0.89 10.00   0.02   0.02) =   0.002%
          HA    ALA  124 - QD2   LEU  115  13.06 +/- 1.22   0.020% *  0.0702% (0.81  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD2   LEU  115  18.05 +/- 2.17   0.002% *  0.0578% (0.66  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD2   LEU  115  19.39 +/- 2.24   0.001% *  0.0729% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  18.30 +/- 2.21   0.002% *  0.0409% (0.47  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD2   LEU  115  18.74 +/- 2.31   0.002% *  0.0346% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  23.38 +/- 2.17   0.000% *  0.0260% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 7.21, residual support = 226.3:
    * O T HB2   LEU  115 - QD2   LEU  115   2.92 +/- 0.43  94.229% * 99.6279% (0.97  10.0 10.00   7.21 226.29) =  99.997%  kept
          HG3   PRO   58 - QD2   LEU  115   7.66 +/- 1.85   1.398% *  0.0994% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - QD2   LEU  115   5.47 +/- 0.89   4.111% *  0.0307% (0.30   1.0  1.00   0.02  14.91) =   0.001%
          HB2   LEU   67 - QD2   LEU  115  11.37 +/- 1.61   0.061% *  0.0798% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD2   LEU  115  13.23 +/- 2.97   0.079% *  0.0447% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD2   LEU  115  11.23 +/- 1.50   0.057% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  115  10.91 +/- 1.13   0.056% *  0.0277% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD2   LEU  115  15.44 +/- 1.64   0.008% *  0.0374% (0.36   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 1479 (1.48, 0.59, 23.43 ppm):
    10 chemical-shift based assignments, quality = 0.78, support = 7.09, residual support = 226.3:
    * O T HG    LEU  115 - QD2   LEU  115   2.10 +/- 0.02  74.909% * 72.7830% (0.84  10.0 10.00   7.07 226.29) =  89.441%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.62 +/- 0.38  24.852% * 25.8976% (0.30  10.0 10.00   7.30 226.29) =  10.558%  kept
          QB    ALA  120 - QD2   LEU  115   6.04 +/- 0.90   0.198% *  0.0728% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD2   LEU  115  13.28 +/- 2.17   0.002% *  0.8316% (0.96   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD2   LEU  115  12.23 +/- 2.36   0.004% *  0.2590% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  115   8.35 +/- 1.19   0.025% *  0.0187% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  11.75 +/- 1.96   0.004% *  0.0345% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  11.49 +/- 1.64   0.004% *  0.0233% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  115  13.12 +/- 1.90   0.002% *  0.0509% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  15.58 +/- 1.58   0.001% *  0.0286% (0.33   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 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.19, residual support = 226.3:
    * O T QD1   LEU  115 - QD2   LEU  115   2.02 +/- 0.06  99.995% * 99.9055% (0.97  10.0 10.00   7.19 226.29) = 100.000%  kept
          QG1   VAL   75 - QD2   LEU  115  11.51 +/- 1.59   0.005% *  0.0945% (0.91   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 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 = 5.24, residual support = 122.8:
    * O T HB2   GLN  116 - HA    GLN  116   2.91 +/- 0.09  99.793% * 98.6426% (1.00  10.0 10.00   5.24 122.77) = 100.000%  kept
          HB2   PRO   58 - HA    GLN  116   9.59 +/- 1.81   0.184% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLN  116  12.76 +/- 2.68   0.022% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLN  116  23.14 +/- 2.43   0.000% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLN   32 - HA    GLN  116  26.24 +/- 2.05   0.000% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN  116  23.84 +/- 1.83   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 5.2, residual support = 122.8:
    * O T HG2   GLN  116 - HA    GLN  116   2.23 +/- 0.36  99.975% * 99.8732% (1.00  10.0 10.00   5.20 122.77) = 100.000%  kept
          HB3   PHE   95 - HA    GLN  116   9.66 +/- 1.48   0.025% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    GLN  116  30.43 +/- 1.42   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.24, residual support = 122.8:
    * O T HA    GLN  116 - HB2   GLN  116   2.91 +/- 0.09  99.993% * 98.1197% (1.00  10.0 10.00   5.24 122.77) = 100.000%  kept
          HA    VAL   70 - HB2   GLN  116  18.14 +/- 2.34   0.002% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLN  116  18.64 +/- 1.39   0.002% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   GLN  116  29.07 +/- 1.80   0.000% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   GLN  116  30.33 +/- 1.45   0.000% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  19.84 +/- 2.15   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  22.57 +/- 2.52   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  26.04 +/- 2.30   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  29.76 +/- 1.87   0.000% *  0.0595% (0.61   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 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 = 5.78, residual support = 122.8:
    * O T HG2   GLN  116 - HB2   GLN  116   2.77 +/- 0.13  99.974% * 99.8732% (1.00  10.0 10.00   5.78 122.77) = 100.000%  kept
          HB3   PHE   95 - HB2   GLN  116  11.32 +/- 1.04   0.026% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   GLN  116  32.38 +/- 1.02   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.2, residual support = 122.8:
    * O T HA    GLN  116 - HG2   GLN  116   2.23 +/- 0.36  99.997% * 99.5202% (1.00  10.0 10.00   5.20 122.77) = 100.000%  kept
          HA    VAL   70 - HG2   GLN  116  16.90 +/- 2.73   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLN  116  16.93 +/- 1.92   0.001% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  17.88 +/- 2.61   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  21.82 +/- 2.78   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  24.81 +/- 2.68   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  27.87 +/- 2.29   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  29.25 +/- 1.96   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  29.32 +/- 2.12   0.000% *  0.0604% (0.61   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 1489 (2.37, 2.54, 34.75 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.78, residual support = 122.8:
    * O T HB2   GLN  116 - HG2   GLN  116   2.77 +/- 0.13  99.643% * 99.6852% (1.00  10.0 10.00   5.78 122.77) = 100.000%  kept
          HB2   PRO   58 - HG2   GLN  116   9.06 +/- 2.26   0.350% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   GLN  116  14.41 +/- 2.40   0.007% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   GLN  116  24.72 +/- 2.22   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  24.36 +/- 2.10   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  27.39 +/- 1.94   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.24 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 = 1.57, residual support = 16.1:
    * O T QB    SER  117 - HA    SER  117   2.43 +/- 0.08  98.643% * 98.0631% (1.00  10.0 10.00   1.57  16.10) =  99.999%  kept
          HA    LYS+ 121 - HA    SER  117   5.93 +/- 0.69   0.639% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HA    SER  117   5.60 +/- 0.35   0.708% *  0.0403% (0.41   1.0  1.00   0.02   6.40) =   0.000%
          HA    PHE   60 - HA    SER  117  12.05 +/- 1.33   0.009% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER  117  22.00 +/- 1.89   0.000% *  0.8795% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER  117  15.94 +/- 1.24   0.001% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    SER  117  23.83 +/- 1.51   0.000% *  0.6344% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  25.64 +/- 1.25   0.000% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  21.06 +/- 1.73   0.000% *  0.0151% (0.15   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 1493 (4.24, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 1.57, residual support = 16.1:
    * O T HA    SER  117 - QB    SER  117   2.43 +/- 0.08  99.892% * 99.1287% (1.00  10.0 10.00   1.57  16.10) = 100.000%  kept
        T HA1   GLY   51 - QB    SER   48   8.24 +/- 0.78   0.085% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER  117  13.77 +/- 1.04   0.003% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.33 +/- 0.81   0.004% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  12.39 +/- 1.26   0.010% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  18.84 +/- 1.47   0.001% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  15.98 +/- 2.21   0.002% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   48  23.83 +/- 1.51   0.000% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  15.46 +/- 1.02   0.002% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  25.64 +/- 1.25   0.000% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  19.56 +/- 1.48   0.000% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER  117  24.62 +/- 1.13   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  19.65 +/- 1.59   0.000% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.02 +/- 1.18   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  25.87 +/- 0.59   0.000% *  0.0087% (0.09   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 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 = 6.64, residual support = 262.1:
    * O T HB    ILE  119 - HA    ILE  119   3.00 +/- 0.02  99.796% * 99.2403% (0.87  10.0 10.00   6.64 262.08) = 100.000%  kept
          HB3   PRO   68 - HA    ILE  119  12.42 +/- 3.09   0.128% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ILE  119  13.18 +/- 2.08   0.023% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE  119  12.80 +/- 1.50   0.021% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ILE  119  14.40 +/- 1.65   0.012% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  16.03 +/- 1.88   0.005% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  15.93 +/- 1.29   0.005% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ILE  119  19.02 +/- 2.68   0.002% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ILE  119  18.64 +/- 2.66   0.002% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ILE  119  20.03 +/- 3.87   0.002% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    ILE  119  17.63 +/- 1.29   0.003% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  26.54 +/- 2.12   0.000% *  0.0285% (0.25   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 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.96, residual support = 262.1:
    * O T QG2   ILE  119 - HA    ILE  119   2.50 +/- 0.15  97.547% * 99.7168% (1.00  10.0 10.00   6.96 262.08) =  99.999%  kept
          QD1   LEU   67 - HA    ILE  119   8.16 +/- 2.95   2.276% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    ILE  119   9.18 +/- 3.20   0.141% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    ILE  119  13.24 +/- 2.49   0.008% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  119  13.15 +/- 2.08   0.007% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    ILE  119  11.70 +/- 2.56   0.019% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  17.01 +/- 1.55   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.91, residual support = 262.1:
    * O T HG12  ILE  119 - HA    ILE  119   2.79 +/- 0.33  99.480% * 99.4466% (1.00  10.0 10.00   6.91 262.08) = 100.000%  kept
          HB2   ASP- 105 - HA    ILE  119   8.44 +/- 3.27   0.451% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ILE  119  11.63 +/- 1.84   0.030% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ILE  119  11.72 +/- 1.93   0.027% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  15.98 +/- 2.19   0.005% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ILE  119  18.00 +/- 1.77   0.003% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  18.90 +/- 2.01   0.002% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ILE  119  20.94 +/- 1.46   0.001% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ILE  119  24.16 +/- 2.48   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  21.74 +/- 1.78   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  24.86 +/- 3.00   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1501 (1.12, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 262.1:
    * O T HG13  ILE  119 - HA    ILE  119   2.71 +/- 0.44  96.433% * 99.6771% (1.00  10.0 10.00   6.62 262.08) =  99.999%  kept
          QG1   VAL  107 - HA    ILE  119   5.95 +/- 1.90   2.536% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ILE  119   7.04 +/- 0.70   0.508% *  0.0308% (0.31   1.0  1.00   0.02   2.53) =   0.000%
          QG2   VAL  107 - HA    ILE  119   7.40 +/- 1.43   0.491% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ILE  119  11.69 +/- 1.54   0.028% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    ILE  119  16.63 +/- 1.03   0.003% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    ILE  119  20.36 +/- 3.27   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    ILE  119  19.84 +/- 2.75   0.001% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 6.06, residual support = 262.1:
    *   T QD1   ILE  119 - HA    ILE  119   3.58 +/- 0.46  99.463% * 99.2846% (0.97 10.00   6.06 262.08) = 100.000%  kept
          HB2   LEU  104 - HA    ILE  119  11.37 +/- 3.79   0.329% *  0.0747% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    ILE  119  10.96 +/- 1.48   0.189% *  0.0582% (0.57  1.00   0.02   0.02) =   0.000%
        T HB    VAL   75 - HA    ILE  119  16.35 +/- 2.18   0.018% *  0.5824% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.45 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.6, residual support = 257.8:
    * O T HA    ILE  119 - HB    ILE  119   3.00 +/- 0.02  97.869% * 50.8167% (0.87  10.0 10.00   6.64 262.08) =  98.033%  kept
        T HA    THR  118 - HB    ILE  119   5.73 +/- 0.16   2.035% * 49.0416% (0.84   1.0 10.00   4.87  42.27) =   1.967%  kept
          HA2   GLY  109 - HB    ILE  119  13.62 +/- 2.19   0.093% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    ILE  119  22.00 +/- 1.62   0.001% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    ILE  119  23.18 +/- 1.70   0.001% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  19.46 +/- 1.63   0.001% *  0.0089% (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 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 = 262.1:
    * O T QG2   ILE  119 - HB    ILE  119   2.11 +/- 0.02  99.785% * 99.7168% (0.87  10.0 10.00   6.31 262.08) = 100.000%  kept
          QD1   LEU   67 - HB    ILE  119   9.46 +/- 3.07   0.202% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  11.36 +/- 2.84   0.008% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB    ILE  119  14.74 +/- 1.92   0.001% *  0.0943% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  119  15.00 +/- 2.11   0.001% *  0.0865% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  13.24 +/- 1.98   0.002% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  17.84 +/- 1.77   0.000% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1506 (2.26, 2.03, 38.31 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 5.94, residual support = 262.1:
    * O T HG12  ILE  119 - HB    ILE  119   2.54 +/- 0.18  99.927% * 99.4466% (0.87  10.0 10.00   5.94 262.08) = 100.000%  kept
          HB2   ASP- 105 - HB    ILE  119  10.08 +/- 2.73   0.052% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB    ILE  119  13.13 +/- 2.00   0.008% *  0.0760% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB    ILE  119  12.76 +/- 1.85   0.009% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  17.35 +/- 2.38   0.002% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB    ILE  119  17.55 +/- 1.90   0.001% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  20.01 +/- 2.05   0.001% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  21.40 +/- 1.09   0.000% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  26.20 +/- 2.26   0.000% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  22.46 +/- 1.68   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  26.38 +/- 3.11   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 5.86, residual support = 262.1:
    * O T HG13  ILE  119 - HB    ILE  119   2.88 +/- 0.29  95.213% * 99.4020% (0.87  10.0 10.00   5.86 262.08) =  99.993%  kept
        T QG1   VAL  107 - HB    ILE  119   5.90 +/- 1.68   3.481% *  0.1534% (0.13   1.0 10.00   0.02   0.02) =   0.006%
        T QG2   VAL  107 - HB    ILE  119   7.01 +/- 1.39   0.836% *  0.1534% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HB    ILE  119   9.31 +/- 1.71   0.248% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    ILE  119   8.27 +/- 0.57   0.217% *  0.0307% (0.27   1.0  1.00   0.02   2.53) =   0.000%
          QB    ALA   20 - HB    ILE  119  17.52 +/- 1.14   0.002% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    ILE  119  22.76 +/- 2.83   0.001% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    ILE  119  21.18 +/- 2.38   0.001% *  0.0409% (0.36   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 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 262.1:
    * O T QD1   ILE  119 - HB    ILE  119   2.42 +/- 0.31  99.978% * 99.2846% (0.84  10.0 10.00   5.44 262.08) = 100.000%  kept
        T QG2   VAL  108 - HB    ILE  119  11.36 +/- 1.12   0.014% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    ILE  119  13.68 +/- 3.26   0.008% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  119  17.59 +/- 1.89   0.001% *  0.0582% (0.49   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 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.95, residual support = 261.0:
    * O T HA    ILE  119 - QG2   ILE  119   2.50 +/- 0.15  99.448% * 50.8167% (1.00  10.0 10.00   6.96 262.08) =  99.488%  kept
        T HA    THR  118 - QG2   ILE  119   6.05 +/- 0.05   0.530% * 49.0416% (0.97   1.0 10.00   4.63  42.27) =   0.512%  kept
          HA2   GLY  109 - QG2   ILE  119  12.96 +/- 1.90   0.019% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  18.88 +/- 1.58   0.001% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   ILE  119  19.84 +/- 1.55   0.000% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  16.04 +/- 1.74   0.002% *  0.0089% (0.18   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 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 262.1:
    * O T HB    ILE  119 - QG2   ILE  119   2.11 +/- 0.02  99.949% * 99.2403% (0.87  10.0 10.00   6.31 262.08) = 100.000%  kept
          HB3   PRO   68 - QG2   ILE  119  10.21 +/- 2.50   0.030% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE  119  11.07 +/- 1.01   0.006% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  12.67 +/- 1.32   0.003% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  13.10 +/- 2.09   0.003% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  12.70 +/- 1.30   0.003% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   ILE  119  13.82 +/- 1.45   0.002% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  12.54 +/- 1.60   0.003% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   ILE  119  16.79 +/- 2.51   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   ILE  119  16.58 +/- 2.55   0.001% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  18.53 +/- 3.34   0.000% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  23.07 +/- 1.85   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.26, residual support = 262.1:
    * O T HG12  ILE  119 - QG2   ILE  119   3.16 +/- 0.15  99.155% * 99.4466% (1.00  10.0 10.00   6.26 262.08) = 100.000%  kept
          HB3   PHE   72 - QG2   ILE  119   9.92 +/- 2.11   0.291% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QG2   ILE  119  10.39 +/- 1.84   0.166% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QG2   ILE  119   9.32 +/- 2.37   0.315% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE  119  13.08 +/- 2.16   0.041% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE  119  15.38 +/- 1.86   0.012% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   ILE  119  15.66 +/- 1.80   0.011% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   ILE  119  18.58 +/- 1.01   0.003% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   ILE  119  21.12 +/- 2.35   0.002% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  18.66 +/- 1.62   0.003% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  20.58 +/- 2.72   0.002% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1513 (1.12, 0.96, 17.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.17, residual support = 262.1:
    * O T HG13  ILE  119 - QG2   ILE  119   2.53 +/- 0.26  98.584% * 99.6771% (1.00  10.0 10.00   6.17 262.08) = 100.000%  kept
          QG1   VAL  107 - QG2   ILE  119   6.23 +/- 1.25   0.799% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   ILE  119   8.80 +/- 1.45   0.145% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   ILE  119   7.49 +/- 0.51   0.197% *  0.0308% (0.31   1.0  1.00   0.02   2.53) =   0.000%
          QG2   VAL  107 - QG2   ILE  119   7.19 +/- 1.07   0.269% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   ILE  119  13.97 +/- 1.11   0.004% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   ILE  119  18.54 +/- 2.84   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   ILE  119  17.56 +/- 2.21   0.001% *  0.0410% (0.41   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 1514 (1.02, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 262.1:
    *   T QD1   ILE  119 - QG2   ILE  119   1.96 +/- 0.23  99.989% * 99.8078% (0.97 10.00   5.75 262.08) = 100.000%  kept
          HB2   LEU  104 - QG2   ILE  119  11.71 +/- 3.00   0.005% *  0.0751% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   ILE  119  10.61 +/- 0.87   0.005% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  14.60 +/- 1.88   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 = 6.88, residual support = 257.2:
    * O T HA    ILE  119 - HG12  ILE  119   2.79 +/- 0.33  97.473% * 50.8167% (1.00  10.0 10.00   6.91 262.08) =  97.772%  kept
        T HA    THR  118 - HG12  ILE  119   5.43 +/- 0.20   2.301% * 49.0416% (0.97   1.0 10.00   5.63  42.27) =   2.228%  kept
          HA2   GLY  109 - HG12  ILE  119  12.28 +/- 2.14   0.222% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG12  ILE  119  19.77 +/- 1.76   0.001% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG12  ILE  119  21.55 +/- 1.49   0.001% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  17.30 +/- 1.58   0.002% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.94, residual support = 262.1:
    * O T HB    ILE  119 - HG12  ILE  119   2.54 +/- 0.18  99.924% * 98.6651% (0.87  10.0 10.00   5.94 262.08) = 100.000%  kept
        T HB2   ARG+  54 - HG12  ILE  119  15.20 +/- 1.28   0.003% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE  119  10.68 +/- 1.47   0.026% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG12  ILE  119  11.75 +/- 1.53   0.018% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE  119  14.01 +/- 2.83   0.010% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG12  ILE  119  12.27 +/- 1.76   0.015% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  15.69 +/- 1.05   0.002% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG12  ILE  119  19.23 +/- 2.15   0.001% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  16.70 +/- 1.66   0.002% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG12  ILE  119  18.97 +/- 2.05   0.001% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  21.49 +/- 3.07   0.000% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  26.12 +/- 1.66   0.000% *  0.0284% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1517 (0.96, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.26, residual support = 262.1:
    * O T QG2   ILE  119 - HG12  ILE  119   3.16 +/- 0.15  98.325% * 99.7168% (1.00  10.0 10.00   6.26 262.08) = 100.000%  kept
          QD1   LEU   67 - HG12  ILE  119   9.13 +/- 2.70   1.415% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG12  ILE  119  10.36 +/- 2.54   0.153% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG12  ILE  119  13.16 +/- 1.97   0.027% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG12  ILE  119  11.89 +/- 1.96   0.054% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG12  ILE  119  13.97 +/- 1.61   0.017% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  119  15.93 +/- 1.51   0.008% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 5.98, residual support = 262.1:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  97.994% * 99.6771% (1.00  10.0 10.00   5.98 262.08) = 100.000%  kept
          QG1   VAL  107 - HG12  ILE  119   4.54 +/- 1.61   1.812% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  119   5.60 +/- 1.38   0.172% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG12  ILE  119   9.33 +/- 1.56   0.016% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   8.91 +/- 0.58   0.006% *  0.0308% (0.31   1.0  1.00   0.02   2.53) =   0.000%
          QB    ALA   20 - HG12  ILE  119  16.00 +/- 1.01   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  20.97 +/- 2.51   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  19.34 +/- 2.29   0.000% *  0.0410% (0.41   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 1520 (1.02, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.49, residual support = 262.1:
    * O T QD1   ILE  119 - HG12  ILE  119   2.14 +/- 0.02  99.981% * 99.8078% (0.97  10.0 10.00   5.49 262.08) = 100.000%  kept
          QG2   VAL  108 - HG12  ILE  119   9.81 +/- 1.08   0.013% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG12  ILE  119  12.48 +/- 2.96   0.005% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  15.38 +/- 1.88   0.001% *  0.0586% (0.57   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 1521 (3.69, 1.12, 30.83 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 259.6:
    * O T HA    ILE  119 - HG13  ILE  119   2.71 +/- 0.44  97.259% * 50.8167% (1.00  10.0 10.00   6.62 262.08) =  98.889%  kept
        T HA    THR  118 - HG13  ILE  119   6.26 +/- 0.54   1.131% * 49.0416% (0.97   1.0 10.00   4.81  42.27) =   1.110%  kept
          HA2   GLY  109 - HG13  ILE  119  13.39 +/- 2.49   1.607% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HG13  ILE  119  20.06 +/- 1.86   0.001% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG13  ILE  119  21.85 +/- 1.46   0.001% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  17.04 +/- 1.80   0.002% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.86, residual support = 262.1:
    * O T HB    ILE  119 - HG13  ILE  119   2.88 +/- 0.29  99.836% * 99.2403% (0.87  10.0 10.00   5.86 262.08) = 100.000%  kept
          HB3   PRO   68 - HG13  ILE  119  13.07 +/- 2.86   0.064% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG13  ILE  119  12.75 +/- 1.79   0.021% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG13  ILE  119  11.78 +/- 1.72   0.027% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG13  ILE  119  12.64 +/- 1.72   0.026% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG13  ILE  119  15.37 +/- 1.23   0.006% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  14.74 +/- 1.42   0.008% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  15.76 +/- 2.02   0.006% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG13  ILE  119  18.60 +/- 2.57   0.002% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG13  ILE  119  18.41 +/- 2.54   0.002% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  21.26 +/- 3.22   0.001% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  25.72 +/- 1.97   0.000% *  0.0285% (0.25   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 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.17, residual support = 262.1:
    * O T QG2   ILE  119 - HG13  ILE  119   2.53 +/- 0.26  99.320% * 99.7168% (1.00  10.0 10.00   6.17 262.08) = 100.000%  kept
          QD1   LEU   67 - HG13  ILE  119   8.32 +/- 2.59   0.609% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG13  ILE  119  10.18 +/- 2.67   0.045% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG13  ILE  119  13.51 +/- 2.01   0.006% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  119  13.28 +/- 1.98   0.006% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG13  ILE  119  12.30 +/- 1.92   0.011% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  119  15.45 +/- 1.77   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 262.1:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  99.984% * 99.4466% (1.00  10.0 10.00   5.98 262.08) = 100.000%  kept
          HB2   ASP-  44 - HG13  ILE  119  10.32 +/- 1.90   0.004% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG13  ILE  119   9.51 +/- 2.28   0.008% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG13  ILE  119  10.76 +/- 1.97   0.003% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  16.42 +/- 1.84   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  15.73 +/- 2.08   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  18.26 +/- 2.07   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  20.01 +/- 1.24   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  23.76 +/- 2.32   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  20.16 +/- 1.75   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  24.72 +/- 2.77   0.000% *  0.0153% (0.15   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 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 = 5.41, residual support = 262.1:
    * O T QD1   ILE  119 - HG13  ILE  119   2.14 +/- 0.02  99.985% * 99.8078% (0.97  10.0 10.00   5.41 262.08) = 100.000%  kept
          QG2   VAL  108 - HG13  ILE  119  10.63 +/- 1.22   0.009% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG13  ILE  119  12.68 +/- 3.00   0.005% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  15.21 +/- 2.07   0.001% *  0.0586% (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 1527 (3.69, 1.02, 16.06 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.05, residual support = 260.2:
    *   T HA    ILE  119 - QD1   ILE  119   3.58 +/- 0.46  94.658% * 81.4706% (0.97 10.00   6.06 262.08) =  99.155%  kept
          HA    THR  118 - QD1   ILE  119   6.34 +/- 0.24   3.611% * 18.1738% (0.93  1.00   4.62  42.27) =   0.844%  kept
          HA2   GLY  109 - QD1   ILE  119  10.89 +/- 1.78   1.675% *  0.0592% (0.70  1.00   0.02   0.02) =   0.001%
        T HA    VAL   75 - QD1   ILE  119  14.32 +/- 1.43   0.033% *  0.1427% (0.17 10.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QD1   ILE  119  16.91 +/- 1.43   0.012% *  0.0731% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD1   ILE  119  17.25 +/- 1.45   0.011% *  0.0807% (0.96  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1528 (2.03, 1.02, 16.06 ppm):
    12 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 262.1:
    * O T HB    ILE  119 - QD1   ILE  119   2.42 +/- 0.31  99.819% * 98.5836% (0.84  10.0 10.00   5.44 262.08) = 100.000%  kept
        T HB    VAL  108 - QD1   ILE  119  10.94 +/- 1.13   0.017% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE  119  11.63 +/- 2.39   0.048% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE  119   9.30 +/- 1.10   0.043% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QD1   ILE  119  10.00 +/- 1.52   0.035% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QD1   ILE  119  11.46 +/- 1.25   0.013% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   ILE  119  12.11 +/- 1.15   0.011% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  13.40 +/- 1.89   0.008% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD1   ILE  119  16.07 +/- 2.08   0.003% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QD1   ILE  119  16.16 +/- 2.05   0.002% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD1   ILE  119  19.10 +/- 2.78   0.001% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  21.79 +/- 1.43   0.000% *  0.0283% (0.24   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 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 262.1:
    *   T QG2   ILE  119 - QD1   ILE  119   1.96 +/- 0.23  99.518% * 99.7168% (0.97 10.00   5.75 262.08) = 100.000%  kept
          QD1   LEU   67 - QD1   ILE  119   7.48 +/- 2.26   0.456% *  0.0197% (0.19  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD1   ILE  119  11.76 +/- 1.78   0.003% *  0.0865% (0.84  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   ILE  119  12.09 +/- 1.55   0.003% *  0.0943% (0.91  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119   9.66 +/- 2.23   0.013% *  0.0175% (0.17  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  11.20 +/- 1.50   0.005% *  0.0277% (0.27  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  12.69 +/- 1.56   0.002% *  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 = 5.49, residual support = 262.1:
    * O T HG12  ILE  119 - QD1   ILE  119   2.14 +/- 0.02  99.895% * 99.4466% (0.97  10.0 10.00   5.49 262.08) = 100.000%  kept
          HB2   ASP-  44 - QD1   ILE  119   8.67 +/- 1.68   0.043% *  0.0643% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QD1   ILE  119   9.30 +/- 1.77   0.027% *  0.0760% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QD1   ILE  119   9.12 +/- 1.84   0.027% *  0.0307% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD1   ILE  119  13.16 +/- 1.66   0.003% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  13.38 +/- 1.94   0.003% *  0.0523% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  15.28 +/- 1.71   0.001% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  16.64 +/- 0.97   0.000% *  0.0831% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  20.42 +/- 1.88   0.000% *  0.0796% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  16.62 +/- 1.49   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  20.93 +/- 2.60   0.000% *  0.0153% (0.15   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 1531 (1.12, 1.02, 16.06 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 5.41, residual support = 262.1:
    * O T HG13  ILE  119 - QD1   ILE  119   2.14 +/- 0.02  97.563% * 99.6771% (0.97  10.0 10.00   5.41 262.08) =  99.999%  kept
          QG1   VAL  107 - QD1   ILE  119   4.91 +/- 1.06   1.470% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   ILE  119   6.96 +/- 1.47   0.316% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   ILE  119   5.41 +/- 1.12   0.628% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   ILE  119   8.94 +/- 0.51   0.020% *  0.0308% (0.30   1.0  1.00   0.02   2.53) =   0.000%
          QB    ALA   20 - QD1   ILE  119  12.82 +/- 0.97   0.002% *  0.0685% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  18.22 +/- 2.29   0.000% *  0.0995% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QD1   ILE  119  16.35 +/- 1.80   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 = 2.43, residual support = 14.4:
    * O T QB    ALA  120 - HA    ALA  120   2.14 +/- 0.02  99.748% * 99.2082% (0.95  10.0 10.00   2.43  14.38) = 100.000%  kept
        T HD2   LYS+ 121 - HA    ALA  120   6.79 +/- 1.00   0.138% *  0.1618% (0.15   1.0 10.00   0.02   2.00) =   0.000%
          HG    LEU   67 - HA    ALA  120  11.54 +/- 3.89   0.072% *  0.0552% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    ALA  120   9.83 +/- 1.59   0.019% *  0.0992% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    ALA  120  13.80 +/- 4.15   0.004% *  0.1046% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA  120  10.28 +/- 1.01   0.010% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    ALA  120  14.16 +/- 1.78   0.002% *  0.2075% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  13.41 +/- 4.33   0.007% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  20.19 +/- 2.08   0.000% *  0.0510% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  21.17 +/- 2.28   0.000% *  0.0262% (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 1535 (3.95, 1.48, 18.41 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.43, residual support = 14.4:
    * O T HA    ALA  120 - QB    ALA  120   2.14 +/- 0.02  96.010% * 99.3786% (0.95  10.0 10.00   2.43  14.38) =  99.997%  kept
          HA    LYS+ 121 - QB    ALA  120   3.87 +/- 0.03   2.728% *  0.0759% (0.72   1.0  1.00   0.02   2.00) =   0.002%
          QB    SER  117 - QB    ALA  120   4.49 +/- 0.32   1.257% *  0.0409% (0.39   1.0  1.00   0.02   6.40) =   0.001%
          HA    LYS+  65 - QB    ALA  120  13.11 +/- 1.53   0.002% *  0.0759% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  15.00 +/- 0.91   0.001% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  16.21 +/- 1.96   0.001% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  19.58 +/- 1.56   0.000% *  0.0683% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  20.98 +/- 0.98   0.000% *  0.0917% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  22.77 +/- 1.07   0.000% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  18.55 +/- 1.43   0.000% *  0.0197% (0.19   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 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 = 0.952, support = 8.06, residual support = 307.1:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.93 +/- 0.06  53.121% * 91.1605% (1.00  10.0 10.00   8.24 314.80) =  94.901%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.07 +/- 0.55  45.506% *  5.7090% (0.06   1.0 10.00   4.75 164.30) =   5.091%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.64 +/- 0.73   1.320% *  0.2814% (0.31   1.0 10.00   0.02   2.26) =   0.007%
        T QD    LYS+  65 - HA    LYS+ 121  16.41 +/- 1.34   0.002% *  0.9096% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  18.02 +/- 3.60   0.002% *  0.8176% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  17.41 +/- 3.81   0.002% *  0.4796% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  17.18 +/- 1.63   0.002% *  0.2535% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  15.83 +/- 1.43   0.003% *  0.0572% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  13.77 +/- 2.51   0.009% *  0.0177% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.44 +/- 0.60   0.002% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  12.96 +/- 1.72   0.012% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.45 +/- 0.96   0.001% *  0.0513% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.38 +/- 0.84   0.016% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  21.03 +/- 1.74   0.000% *  0.0553% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  20.52 +/- 1.85   0.001% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  25.43 +/- 2.64   0.000% *  0.0894% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  23.50 +/- 1.41   0.000% *  0.0301% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  24.52 +/- 2.40   0.000% *  0.0159% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  19.43 +/- 1.78   0.001% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  23.34 +/- 1.01   0.000% *  0.0056% (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 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.27, residual support = 314.8:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.34 +/- 0.47  99.856% * 99.6412% (1.00  10.0 10.00   7.27 314.80) = 100.000%  kept
          QG2   VAL  107 - HA    LYS+ 121  10.38 +/- 1.18   0.037% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+ 121   8.82 +/- 0.26   0.075% *  0.0308% (0.31   1.0  1.00   0.02   2.53) =   0.000%
        T HG2   LYS+ 121 - HA    LYS+  65  17.55 +/- 2.10   0.003% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+ 121  15.86 +/- 3.65   0.003% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65  12.30 +/- 1.17   0.008% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+ 121  21.24 +/- 1.08   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  11.55 +/- 1.29   0.014% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  14.68 +/- 1.20   0.003% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  22.60 +/- 3.67   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  20.88 +/- 1.17   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  20.67 +/- 0.97   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 6.68, residual support = 314.8:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.25 +/- 0.41  98.218% * 99.4380% (1.00  10.0 10.00   6.68 314.80) =  99.999%  kept
          QD2   LEU  123 - HA    LYS+ 121   6.89 +/- 0.44   1.450% *  0.0484% (0.49   1.0  1.00   0.02   2.26) =   0.001%
        T QD2   LEU   73 - HA    LYS+ 121  16.34 +/- 2.14   0.008% *  0.3392% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+  65  10.31 +/- 0.66   0.117% *  0.0213% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+ 121  12.75 +/- 0.75   0.035% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LYS+  65  17.77 +/- 2.09   0.010% *  0.0624% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65  10.68 +/- 2.28   0.128% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  12.98 +/- 0.58   0.029% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 121  22.33 +/- 3.46   0.002% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  19.86 +/- 1.03   0.002% *  0.0014% (0.01   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 1541 (1.50, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.456, support = 7.65, residual support = 297.0:
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.65 +/- 0.22  48.722% * 21.3664% (0.31  10.0 10.00   8.16 314.80) =  62.827%  kept
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.93 +/- 0.44   6.095% * 69.2258% (1.00   1.0 10.00   7.49 314.80) =  25.466%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.80 +/- 0.57  44.712% *  4.3065% (0.06  10.0 10.00   5.27 164.30) =  11.621%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.96 +/- 0.58   0.409% *  3.4792% (0.05   1.0 10.00   5.46  25.13) =   0.086%
        T QD    LYS+  66 - HA    LYS+ 121  11.41 +/- 2.00   0.019% *  0.5543% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    LYS+ 121  17.13 +/- 1.57   0.001% *  0.6861% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  12.43 +/- 4.41   0.016% *  0.0214% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.71 +/- 3.75   0.010% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.87 +/- 2.60   0.002% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  13.49 +/- 1.59   0.003% *  0.0086% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  15.00 +/- 1.34   0.002% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  21.89 +/- 1.62   0.000% *  0.1370% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.97 +/- 1.27   0.004% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  21.67 +/- 1.94   0.000% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.49 +/- 1.32   0.001% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.76 +/- 1.74   0.000% *  0.0529% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  14.56 +/- 0.97   0.002% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.84 +/- 1.27   0.003% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  19.37 +/- 1.44   0.000% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  21.50 +/- 2.19   0.000% *  0.0010% (0.01   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 1542 (2.75, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.987, support = 6.64, residual support = 294.0:
    *     QE    LYS+ 121 - HA    LYS+ 121   3.84 +/- 0.94  88.675% * 58.7304% (1.00   6.72 314.80) =  92.158%  kept
          HB3   HIS  122 - HA    LYS+ 121   6.01 +/- 0.36  10.806% * 41.0101% (0.84   5.62  49.70) =   7.842%  kept
          QE    LYS+ 121 - HA    LYS+  65  16.21 +/- 2.80   0.275% *  0.0110% (0.06   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    LYS+  65  12.17 +/- 1.63   0.208% *  0.0092% (0.05   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+ 121  23.75 +/- 2.85   0.003% *  0.1200% (0.69   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  16.69 +/- 1.15   0.026% *  0.0075% (0.04   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+ 121  27.52 +/- 3.22   0.001% *  0.0783% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  29.95 +/- 1.59   0.001% *  0.0270% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  23.62 +/- 0.97   0.003% *  0.0049% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  24.30 +/- 1.06   0.002% *  0.0017% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1543 (3.94, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 8.24, residual support = 314.8:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.93 +/- 0.06  94.663% * 99.1042% (1.00  10.0 10.00   8.24 314.80) =  99.995%  kept
          QB    SER  117 - HB2   LYS+ 121   5.38 +/- 0.65   3.235% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA  120 - HB2   LYS+ 121   5.55 +/- 0.12   2.051% *  0.0757% (0.76   1.0  1.00   0.02   2.00) =   0.002%
        T HA    LYS+  65 - HB2   LYS+ 121  15.83 +/- 1.43   0.005% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   LYS+ 121  11.26 +/- 1.29   0.038% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LYS+ 121  15.29 +/- 1.99   0.006% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  19.10 +/- 1.78   0.002% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LYS+ 121  23.70 +/- 1.06   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LYS+ 121  24.03 +/- 1.23   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  24.22 +/- 2.31   0.000% *  0.0407% (0.41   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 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 = 7.71, residual support = 314.8:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.87 +/- 0.19  99.197% * 99.7211% (1.00  10.0 10.00   7.71 314.80) = 100.000%  kept
          QG2   VAL  107 - HB2   LYS+ 121   8.25 +/- 1.39   0.259% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LYS+ 121   7.00 +/- 0.32   0.525% *  0.0308% (0.31   1.0  1.00   0.02   2.53) =   0.000%
          HG13  ILE  103 - HB2   LYS+ 121  13.70 +/- 3.52   0.017% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LYS+ 121  19.52 +/- 1.02   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   LYS+ 121  21.01 +/- 3.09   0.001% *  0.0277% (0.28   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 1546 (0.80, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.14, residual support = 314.8:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.75 +/- 0.19  99.760% * 99.0974% (1.00  10.0 10.00   7.14 314.80) =  99.999%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   7.83 +/- 0.51   0.205% *  0.4824% (0.49   1.0 10.00   0.02   2.26) =   0.001%
          QD1   ILE   56 - HB2   LYS+ 121  10.99 +/- 0.73   0.029% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HB2   LYS+ 121  14.89 +/- 1.76   0.005% *  0.3380% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB2   LYS+ 121  20.52 +/- 2.92   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.97 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 = 0.617, support = 8.4, residual support = 314.8:
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  80.096% * 23.0703% (0.31  10.0 10.00   8.76 314.80) =  55.413%  kept
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.43 +/- 0.63  19.891% * 74.7463% (1.00  10.0 10.00   7.95 314.80) =  44.587%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  11.24 +/- 2.40   0.006% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.12 +/- 1.69   0.000% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121  11.28 +/- 3.84   0.003% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.60 +/- 1.69   0.000% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  11.93 +/- 2.96   0.002% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.99 +/- 1.65   0.001% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  19.64 +/- 1.58   0.000% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  20.06 +/- 1.65   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 = 0.99, support = 7.1, residual support = 298.9:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.53 +/- 0.52  91.671% * 58.5411% (1.00   7.17 314.80) =  93.986%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.55 +/- 0.50   8.324% * 41.2483% (0.84   6.05  49.70) =   6.014%  kept
          HG2   GLN   30 - HB2   LYS+ 121  21.97 +/- 2.41   0.003% *  0.1122% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 121  25.62 +/- 2.75   0.001% *  0.0732% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+ 121  27.37 +/- 1.73   0.001% *  0.0252% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1549 (3.94, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.27, residual support = 314.8:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.34 +/- 0.47  97.716% * 99.1042% (1.00  10.0 10.00   7.27 314.80) =  99.998%  kept
          QB    SER  117 - HG2   LYS+ 121   6.27 +/- 1.39   1.791% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - HG2   LYS+ 121   6.53 +/- 0.36   0.474% *  0.0757% (0.76   1.0  1.00   0.02   2.00) =   0.000%
        T HA    LYS+  65 - HG2   LYS+ 121  17.55 +/- 2.10   0.003% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG2   LYS+ 121  13.65 +/- 1.63   0.013% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+ 121  17.36 +/- 2.24   0.002% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  20.69 +/- 2.38   0.001% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  26.00 +/- 1.32   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  26.13 +/- 1.38   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  25.75 +/- 2.64   0.000% *  0.0407% (0.41   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 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.71, residual support = 314.8:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.87 +/- 0.19  99.610% * 99.4783% (1.00  10.0 10.00   7.71 314.80) = 100.000%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.55 +/- 0.78   0.369% *  0.0307% (0.31   1.0  1.00   0.02   2.26) =   0.000%
          QD    LYS+  65 - HG2   LYS+ 121  17.18 +/- 2.11   0.005% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 121  16.55 +/- 3.94   0.005% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 121  17.95 +/- 3.24   0.003% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  16.77 +/- 1.98   0.003% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 121  16.70 +/- 0.85   0.003% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  21.12 +/- 1.87   0.001% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  20.27 +/- 1.98   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  24.89 +/- 2.88   0.000% *  0.0975% (0.98   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 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  99.990% * 99.3314% (1.00  10.0 10.00   6.31 314.80) = 100.000%  kept
          QD2   LEU  123 - HG2   LYS+ 121   8.37 +/- 0.49   0.009% *  0.0483% (0.49   1.0  1.00   0.02   2.26) =   0.000%
        T QD2   LEU   73 - HG2   LYS+ 121  16.44 +/- 1.93   0.000% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  12.85 +/- 0.81   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   31 - HG2   LYS+ 121  22.00 +/- 3.40   0.000% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.73 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 = 0.845, support = 7.21, residual support = 314.8:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.79 +/- 0.20  51.571% * 75.5250% (1.00  10.0 10.00   7.09 314.80) =  77.624%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.82 +/- 0.13  48.159% * 23.3106% (0.31  10.0 10.00   7.65 314.80) =  22.374%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  12.36 +/- 2.91   0.201% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU  104 - HG2   LYS+ 121  11.79 +/- 4.44   0.050% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG2   LYS+ 121  14.65 +/- 1.80   0.003% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+ 121  17.91 +/- 2.47   0.003% *  0.0749% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  12.90 +/- 3.33   0.012% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG2   LYS+ 121  22.00 +/- 1.88   0.000% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG2   LYS+ 121  21.65 +/- 1.91   0.000% *  0.0729% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  21.86 +/- 1.83   0.000% *  0.0577% (0.76   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 1554 (2.75, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 314.8:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.71 +/- 0.54  97.944% * 99.7880% (1.00  10.0   6.31 314.80) =  99.998%  kept
          HB3   HIS  122 - HG2   LYS+ 121   6.93 +/- 0.95   2.055% *  0.0833% (0.84   1.0   0.02  49.70) =   0.002%
          HG2   GLN   30 - HG2   LYS+ 121  23.72 +/- 2.75   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG2   LYS+ 121  27.16 +/- 3.16   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  29.64 +/- 1.83   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 1555 (3.94, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.68, residual support = 314.8:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.25 +/- 0.41  95.940% * 98.4706% (1.00  10.0 10.00   6.68 314.80) =  99.997%  kept
          QB    SER  117 - HG3   LYS+ 121   6.20 +/- 0.93   2.631% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - HG3   LYS+ 121   7.46 +/- 0.32   0.735% *  0.0753% (0.76   1.0  1.00   0.02   2.00) =   0.001%
        T HA    LYS+  65 - QD2   LEU   73  10.31 +/- 0.66   0.115% *  0.1145% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 121  17.77 +/- 2.09   0.010% *  0.3359% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD2   LEU   73   9.96 +/- 1.44   0.210% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD2   LEU   73  16.34 +/- 2.14   0.008% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD2   LEU   73   9.52 +/- 0.93   0.210% *  0.0093% (0.09   1.0  1.00   0.02   1.20) =   0.000%
          HB    THR   94 - QD2   LEU   73  12.50 +/- 1.07   0.044% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 121  16.55 +/- 2.28   0.009% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG3   LYS+ 121  13.53 +/- 1.43   0.031% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD2   LEU   73  14.99 +/- 1.30   0.014% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  15.85 +/- 2.69   0.012% *  0.0257% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD2   LEU   73  15.63 +/- 1.07   0.010% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  15.06 +/- 0.35   0.011% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  20.85 +/- 2.44   0.004% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  18.93 +/- 0.72   0.003% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG3   LYS+ 121  25.79 +/- 1.26   0.001% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  25.68 +/- 1.53   0.001% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  24.82 +/- 2.69   0.001% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 7.14, residual support = 314.8:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.75 +/- 0.19  99.381% * 98.6953% (1.00  10.0 10.00   7.14 314.80) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.58 +/- 0.80   0.147% *  0.3046% (0.31   1.0 10.00   0.02   2.26) =   0.000%
          HD2   LYS+  74 - QD2   LEU   73   7.31 +/- 0.53   0.325% *  0.0204% (0.21   1.0  1.00   0.02  40.69) =   0.000%
        T HB2   LYS+ 121 - QD2   LEU   73  14.89 +/- 1.76   0.005% *  0.3366% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD2   LEU   73  10.85 +/- 0.94   0.032% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU   73  11.07 +/- 0.45   0.027% *  0.0330% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU   73  11.81 +/- 0.64   0.018% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+ 121  17.47 +/- 2.05   0.003% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  15.50 +/- 3.74   0.006% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD2   LEU   73  11.33 +/- 0.88   0.026% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 121  17.46 +/- 2.86   0.002% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.64 +/- 0.73   0.008% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  16.48 +/- 1.81   0.003% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  16.66 +/- 0.75   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.92 +/- 1.30   0.005% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  16.14 +/- 3.25   0.006% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  20.75 +/- 1.82   0.001% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  19.78 +/- 2.16   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  23.96 +/- 2.75   0.000% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  21.47 +/- 2.11   0.001% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.912% * 98.9593% (1.00  10.0 10.00   6.31 314.80) = 100.000%  kept
        T HB3   LEU   31 - QD2   LEU   73   7.61 +/- 1.09   0.021% *  0.0938% (0.09   1.0 10.00   0.02   3.24) =   0.000%
          QB    ALA   20 - QD2   LEU   73   6.26 +/- 0.37   0.052% *  0.0270% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG3   LYS+ 121   9.57 +/- 1.48   0.005% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.50 +/- 0.56   0.004% *  0.0305% (0.31   1.0  1.00   0.02   2.53) =   0.000%
        T HG2   LYS+ 121 - QD2   LEU   73  16.44 +/- 1.93   0.000% *  0.3375% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  13.81 +/- 3.83   0.001% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   73  12.04 +/- 0.58   0.001% *  0.0312% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  11.36 +/- 0.94   0.002% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  12.49 +/- 2.03   0.001% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - HG3   LYS+ 121  21.45 +/- 3.23   0.000% *  0.2751% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  21.04 +/- 1.14   0.000% *  0.0792% (0.80   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 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 = 0.686, support = 6.73, residual support = 314.8:
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.85 +/- 0.21  26.425% * 75.1260% (1.00  10.0 10.00   6.53 314.80) =  54.611%  kept
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.38 +/- 0.19  71.153% * 23.1874% (0.31  10.0 10.00   6.97 314.80) =  45.385%  kept
        T QD    LYS+  66 - HG3   LYS+ 121  12.77 +/- 3.02   0.180% *  0.6016% (0.80   1.0 10.00   0.02   0.02) =   0.003%
          QG2   THR   26 - QD2   LEU   73   4.60 +/- 0.61   1.813% *  0.0247% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QD2   LEU   73   6.05 +/- 0.48   0.275% *  0.0196% (0.26   1.0  1.00   0.02  40.69) =   0.000%
        T HD3   LYS+  74 - QD2   LEU   73   8.38 +/- 0.29   0.037% *  0.0507% (0.07   1.0 10.00   0.02  40.69) =   0.000%
          HG    LEU  104 - HG3   LYS+ 121  10.84 +/- 4.10   0.039% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD2   LEU   73  12.48 +/- 0.82   0.004% *  0.2051% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD2   LEU   73  15.52 +/- 1.93   0.001% *  0.2562% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU   73  10.98 +/- 1.33   0.011% *  0.0254% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   8.29 +/- 0.57   0.044% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD2   LEU   73  15.02 +/- 2.04   0.001% *  0.0791% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 121  18.17 +/- 2.39   0.001% *  0.0745% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  12.42 +/- 2.92   0.006% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  11.84 +/- 0.99   0.006% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  14.32 +/- 1.72   0.002% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG3   LYS+ 121  21.64 +/- 1.72   0.000% *  0.1487% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 121  21.16 +/- 1.77   0.000% *  0.0725% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  21.46 +/- 1.80   0.000% *  0.0574% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  18.76 +/- 1.94   0.000% *  0.0057% (0.08   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 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   2.65 +/- 0.53  81.895% * 99.6820% (1.00  10.0   6.00 314.80) =  99.995%  kept
          HG2   GLN   30 - QD2   LEU   73   3.96 +/- 0.88  17.690% *  0.0233% (0.23   1.0   0.02   7.37) =   0.005%
          HB3   HIS  122 - HG3   LYS+ 121   7.30 +/- 0.72   0.322% *  0.0833% (0.84   1.0   0.02  49.70) =   0.000%
          HB3   ASN   28 - QD2   LEU   73   9.37 +/- 1.06   0.063% *  0.0152% (0.15   1.0   0.02   0.62) =   0.000%
          HB3   HIS  122 - QD2   LEU   73  12.63 +/- 3.05   0.017% *  0.0284% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD2   LEU   73  14.64 +/- 2.28   0.009% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HG3   LYS+ 121  23.13 +/- 2.48   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  14.97 +/- 0.41   0.003% *  0.0052% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG3   LYS+ 121  26.30 +/- 2.92   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  29.00 +/- 2.02   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1561 (3.94, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.992, support = 7.38, residual support = 304.3:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.93 +/- 0.44  60.901% * 56.2480% (1.00 10.00   7.49 314.80) =  96.633%  kept
        T HA    ALA  120 - HD2   LYS+ 121   6.79 +/- 1.00   2.743% * 42.9863% (0.76 10.00   4.17   2.00) =   3.326%  kept
          QB    SER  117 - HD2   LYS+ 121   5.41 +/- 1.84  25.879% *  0.0470% (0.84  1.00   0.02   0.02) =   0.034%
        T HA    LYS+  65 - QD    LYS+  66   5.96 +/- 0.58   6.739% *  0.0239% (0.04 10.00   0.02  25.13) =   0.005%
        T HA    LYS+ 121 - QD    LYS+  66  11.41 +/- 2.00   0.394% *  0.0699% (0.12 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - HD2   LYS+ 121  16.87 +/- 2.60   0.041% *  0.1919% (0.34 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  66   8.80 +/- 1.98   0.813% *  0.0053% (0.10  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+  74  10.38 +/- 2.39   0.368% *  0.0083% (0.15  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD2   LYS+ 121  12.25 +/- 1.94   0.175% *  0.0156% (0.28  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+  74  13.49 +/- 1.59   0.061% *  0.0299% (0.05 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  66   9.14 +/- 1.22   0.628% *  0.0029% (0.05  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 121  15.53 +/- 2.36   0.029% *  0.0558% (0.99  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+  74  11.88 +/- 1.28   0.136% *  0.0087% (0.15  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+  74   9.41 +/- 1.14   0.471% *  0.0024% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.42 +/- 1.03   0.383% *  0.0019% (0.03  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  12.25 +/- 1.80   0.102% *  0.0058% (0.10  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  13.54 +/- 1.54   0.052% *  0.0087% (0.15  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+  74  21.89 +/- 1.62   0.003% *  0.0877% (0.16 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 121  20.08 +/- 2.75   0.010% *  0.0231% (0.41  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  14.49 +/- 1.14   0.029% *  0.0036% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 121  24.23 +/- 1.68   0.001% *  0.0558% (0.99  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 121  24.41 +/- 1.57   0.001% *  0.0532% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  18.29 +/- 1.18   0.008% *  0.0073% (0.13  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  16.90 +/- 1.16   0.013% *  0.0036% (0.06  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  18.74 +/- 1.89   0.006% *  0.0069% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  24.27 +/- 2.77   0.002% *  0.0231% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  20.03 +/- 2.00   0.005% *  0.0067% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  66  21.41 +/- 1.49   0.003% *  0.0069% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  66  22.08 +/- 1.93   0.002% *  0.0066% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  26.03 +/- 1.39   0.001% *  0.0029% (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 = 0.751, support = 6.68, residual support = 279.7:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.43 +/- 0.63  19.878% * 87.6744% (1.00  10.0 10.00   7.95 314.80) =  72.454%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  79.880% *  8.2944% (0.09  10.0  1.00   3.34 187.57) =  27.545%  kept
        T QD    LYS+  65 - QD    LYS+  66   6.05 +/- 1.00   0.122% *  0.1088% (0.12   1.0 10.00   0.02  25.13) =   0.001%
        T HB2   LYS+ 121 - QD    LYS+  66  11.24 +/- 2.40   0.006% *  0.1090% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   LYS+ 121  16.53 +/- 2.54   0.000% *  0.8748% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+  74   7.06 +/- 1.70   0.064% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD2   LYS+ 121   8.20 +/- 0.80   0.009% *  0.0271% (0.31   1.0  1.00   0.02   2.26) =   0.000%
        T QD    LYS+ 102 - HD2   LYS+ 121  16.10 +/- 4.11   0.001% *  0.4613% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD3   LYS+  74  12.35 +/- 2.43   0.001% *  0.1364% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66   8.48 +/- 2.32   0.029% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   LYS+ 121  18.15 +/- 3.10   0.000% *  0.7863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD2   LYS+ 121  15.55 +/- 2.36   0.000% *  0.2438% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HD2   LYS+ 121  19.50 +/- 2.08   0.000% *  0.5318% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74  10.79 +/- 2.13   0.006% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  12.87 +/- 1.26   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QD    LYS+  66  17.91 +/- 1.48   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  19.64 +/- 1.58   0.000% *  0.1368% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  15.34 +/- 1.34   0.000% *  0.0271% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  11.85 +/- 1.44   0.001% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  18.44 +/- 2.13   0.000% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  22.64 +/- 0.70   0.000% *  0.1226% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  21.14 +/- 1.92   0.000% *  0.0574% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  23.25 +/- 3.06   0.000% *  0.0859% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  21.63 +/- 1.10   0.000% *  0.0719% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  19.96 +/- 2.88   0.000% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  15.56 +/- 1.63   0.000% *  0.0066% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  22.01 +/- 2.33   0.000% *  0.0380% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  18.70 +/- 2.18   0.000% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  23.87 +/- 1.47   0.000% *  0.0107% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  21.01 +/- 2.25   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1563 (1.15, 1.50, 29.95 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 7.09, residual support = 314.8:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.79 +/- 0.20  89.634% * 99.3656% (1.00  10.0 10.00   7.09 314.80) =  99.998%  kept
          QB    ALA   20 - HD3   LYS+  74   5.04 +/- 1.14   8.606% *  0.0124% (0.12   1.0  1.00   0.02   8.75) =   0.001%
        T HG2   LYS+ 121 - QD    LYS+  66  12.36 +/- 2.91   0.356% *  0.1236% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD2   LYS+ 121   8.65 +/- 1.89   0.199% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD2   LYS+ 121   8.09 +/- 1.32   0.233% *  0.0307% (0.31   1.0  1.00   0.02   2.53) =   0.000%
          HG13  ILE  119 - QD    LYS+  66   8.76 +/- 2.28   0.905% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   LYS+ 121  13.77 +/- 3.93   0.018% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  12.37 +/- 1.84   0.019% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  12.57 +/- 1.37   0.014% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HD3   LYS+  74  22.00 +/- 1.88   0.000% *  0.1550% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HD2   LYS+ 121  20.13 +/- 1.17   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  15.18 +/- 1.15   0.004% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  14.31 +/- 1.84   0.007% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  21.38 +/- 3.44   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  17.23 +/- 1.20   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  19.21 +/- 2.15   0.001% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  17.59 +/- 0.72   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  21.16 +/- 1.64   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 6.53, residual support = 314.8:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.85 +/- 0.21  94.601% * 99.1222% (1.00  10.0 10.00   6.53 314.80) =  99.998%  kept
        T HG3   LYS+ 121 - QD    LYS+  66  12.77 +/- 3.02   0.964% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - QD    LYS+  66   6.34 +/- 2.16   3.991% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD3   LYS+  74   8.38 +/- 0.29   0.159% *  0.0527% (0.05   1.0 10.00   0.02  40.69) =   0.000%
          QD2   LEU  123 - HD2   LYS+ 121   8.78 +/- 0.61   0.133% *  0.0482% (0.49   1.0  1.00   0.02   2.26) =   0.000%
          QD1   ILE   56 - HD2   LYS+ 121  11.49 +/- 1.24   0.029% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD2   LYS+ 121  15.52 +/- 1.93   0.005% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD    LYS+  66  12.48 +/- 0.82   0.016% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HD3   LYS+  74  10.59 +/- 1.34   0.056% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  11.43 +/- 1.49   0.037% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HD3   LYS+  74  21.64 +/- 1.72   0.001% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  17.45 +/- 2.11   0.003% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  20.92 +/- 3.30   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  15.53 +/- 0.79   0.004% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  20.66 +/- 1.54   0.001% *  0.0027% (0.03   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 1565 (1.50, 1.50, 29.95 ppm):
    3 diagonal assignments:
    *     HD2   LYS+ 121 - HD2   LYS+ 121  (1.00)  kept
          QD    LYS+  66 - QD    LYS+  66  (0.10)  kept
          HD3   LYS+  74 - HD3   LYS+  74  (0.03)  kept
 
    Peak 1566 (2.75, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.49, residual support = 314.8:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.30 +/- 0.14  94.624% * 98.9202% (1.00  10.0  1.00   6.49 314.80) =  99.999%  kept
          QE    LYS+ 121 - QD    LYS+  66  11.71 +/- 3.17   4.071% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HD2   LYS+ 121   6.75 +/- 1.25   0.317% *  0.0826% (0.84   1.0  1.00   0.02  49.70) =   0.000%
          HB3   HIS  122 - QD    LYS+  66   8.56 +/- 2.54   0.971% *  0.0103% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD3   LYS+  74  12.46 +/- 0.71   0.004% *  0.1060% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD2   LYS+ 121  22.58 +/- 2.74   0.000% *  0.6795% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - QD    LYS+  66  19.08 +/- 1.32   0.000% *  0.0845% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  11.07 +/- 1.32   0.011% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  17.81 +/- 2.06   0.001% *  0.0129% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  19.44 +/- 2.03   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  17.44 +/- 1.04   0.001% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  25.98 +/- 3.15   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  27.76 +/- 1.95   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  24.67 +/- 1.50   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  25.34 +/- 1.50   0.000% *  0.0019% (0.02   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 1567 (4.88, 4.88, 56.57 ppm):
    1 diagonal assignment:
    *     HA    HIS  122 - HA    HIS  122  (1.00)  kept
 
    Peak 1568 (3.45, 4.88, 56.57 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 72.3:
    * O T HB2   HIS  122 - HA    HIS  122   2.57 +/- 0.26  99.997% * 99.8210% (1.00  10.0 10.00   3.44  72.26) = 100.000%  kept
          HA    LYS+ 112 - HA    HIS  122  15.81 +/- 0.68   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  20.80 +/- 1.51   0.000% *  0.0895% (0.90   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 1569 (2.76, 4.88, 56.57 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.43, residual support = 71.9:
    * O T HB3   HIS  122 - HA    HIS  122   2.81 +/- 0.24  90.347% * 87.6458% (1.00  10.0 10.00   3.43  72.26) =  98.526%  kept
          QE    LYS+ 121 - HA    HIS  122   5.96 +/- 1.60   9.651% * 12.2729% (0.84   1.0  1.00   3.35  49.70) =   1.474%  kept
          HG2   GLN   30 - HA    HIS  122  20.75 +/- 3.73   0.001% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    HIS  122  24.99 +/- 4.31   0.000% *  0.0153% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  28.76 +/- 1.86   0.000% *  0.0360% (0.41   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 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 72.3:
    * O T HA    HIS  122 - HB2   HIS  122   2.57 +/- 0.26  99.956% * 99.8702% (1.00  10.0 10.00   3.44  72.26) = 100.000%  kept
          HA    VAL   41 - HB2   HIS  122  12.01 +/- 4.68   0.042% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   HIS  122  17.77 +/- 1.94   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  21.57 +/- 1.23   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.99, residual support = 72.3:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  99.899% * 99.8240% (1.00  10.0 10.00   3.99  72.26) = 100.000%  kept
          QE    LYS+ 121 - HB2   HIS  122   7.32 +/- 1.49   0.101% *  0.0834% (0.84   1.0  1.00   0.02  49.70) =   0.000%
          HG2   GLN   30 - HB2   HIS  122  18.94 +/- 3.78   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  23.55 +/- 4.29   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  26.89 +/- 1.58   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1573 (4.88, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 72.3:
    * O T HA    HIS  122 - HB3   HIS  122   2.81 +/- 0.24  99.945% * 99.8702% (1.00  10.0 10.00   3.43  72.26) = 100.000%  kept
          HA    VAL   41 - HB3   HIS  122  12.70 +/- 4.77   0.052% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB3   HIS  122  17.59 +/- 2.49   0.003% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  21.10 +/- 1.46   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 72.3:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00 100.000% * 99.8210% (1.00  10.0 10.00   3.99  72.26) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  14.28 +/- 1.11   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  18.56 +/- 1.69   0.000% *  0.0895% (0.90   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 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 = 6.0, residual support = 202.3:
    * O T HB2   LEU  123 - HA    LEU  123   2.83 +/- 0.28  99.676% * 98.5720% (1.00  10.0 10.00   6.00 202.29) = 100.000%  kept
        T QD    LYS+  99 - HA    LEU  123  13.24 +/- 5.34   0.057% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LEU  123   7.88 +/- 0.12   0.238% *  0.0304% (0.31   1.0  1.00   0.02   2.26) =   0.000%
        T QD    LYS+ 106 - HA    LEU  123  16.24 +/- 2.20   0.004% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LEU  123  12.89 +/- 1.67   0.016% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    LEU  123  18.10 +/- 5.42   0.004% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  20.52 +/- 4.38   0.001% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  19.49 +/- 3.90   0.002% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  20.01 +/- 1.23   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU  123  21.74 +/- 1.58   0.001% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  23.21 +/- 1.13   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  26.66 +/- 3.21   0.000% *  0.0405% (0.41   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 1578 (1.63, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.49, residual support = 202.3:
    * O T HB3   LEU  123 - HA    LEU  123   2.60 +/- 0.20  99.995% * 99.6484% (1.00  10.0 10.00   5.49 202.29) = 100.000%  kept
          QB    ALA   57 - HA    LEU  123  15.59 +/- 0.88   0.002% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LEU  123  19.91 +/- 4.77   0.001% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  20.01 +/- 2.49   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LEU  123  20.85 +/- 1.48   0.000% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  23.33 +/- 1.81   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1579 (1.85, 4.38, 55.67 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 202.3:
    * O T HG    LEU  123 - HA    LEU  123   3.28 +/- 0.68  86.139% * 98.6685% (0.69  10.0 10.00   5.42 202.29) =  99.985%  kept
          HG3   PRO   68 - HA    LEU  123   9.65 +/- 4.69   8.822% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.014%
          QB    LYS+  66 - HA    LEU  123   7.19 +/- 2.22   4.919% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    LEU  123  13.11 +/- 4.23   0.068% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HA    LEU  123  16.60 +/- 2.49   0.011% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  123  15.54 +/- 2.22   0.013% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU  123  17.49 +/- 5.04   0.012% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  123  19.75 +/- 4.72   0.004% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  123  20.25 +/- 4.05   0.003% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  123  19.88 +/- 4.28   0.004% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LEU  123  22.51 +/- 1.88   0.001% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU  123  23.64 +/- 1.80   0.001% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  29.08 +/- 2.17   0.000% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  29.65 +/- 1.47   0.000% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 5.99, residual support = 200.8:
    *   T QD1   LEU  123 - HA    LEU  123   2.91 +/- 0.91  77.303% * 97.2786% (1.00 10.00   6.03 202.29) =  99.282%  kept
          QG1   VAL   70 - HA    LEU  123   7.58 +/- 4.61  22.386% *  2.4285% (0.92  1.00   0.54   0.02) =   0.718%  kept
          HB3   LEU   63 - HA    LEU  123   9.45 +/- 2.57   0.250% *  0.0332% (0.34  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  123  14.46 +/- 4.08   0.028% *  0.0973% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU  123  14.35 +/- 4.96   0.020% *  0.0813% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  123  14.42 +/- 2.08   0.012% *  0.0813% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 1 structures by 0.23 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.88, residual support = 202.3:
    *   T QD2   LEU  123 - HA    LEU  123   2.94 +/- 0.28  99.866% * 99.9316% (1.00 10.00   4.88 202.29) = 100.000%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.32 +/- 0.47   0.113% *  0.0486% (0.49  1.00   0.02   2.26) =   0.000%
          HB3   LEU  104 - HA    LEU  123  14.35 +/- 4.96   0.022% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 202.3:
    * O T HA    LEU  123 - HB2   LEU  123   2.83 +/- 0.28  99.951% * 98.7431% (1.00  10.0 10.00   6.00 202.29) = 100.000%  kept
        T HA    LYS+  99 - HB2   LEU  123  17.36 +/- 5.20   0.006% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LEU  123  12.62 +/- 1.37   0.020% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU  123  15.08 +/- 1.82   0.007% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   LEU  123  16.20 +/- 4.90   0.008% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU  123  14.82 +/- 1.31   0.006% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  23.47 +/- 4.99   0.001% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  19.70 +/- 3.61   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  25.06 +/- 3.74   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.32, residual support = 202.3:
    * O T HG    LEU  123 - HB2   LEU  123   2.54 +/- 0.30  94.516% * 97.8726% (0.69  10.0 10.00   5.32 202.29) =  99.993%  kept
          HG3   PRO   68 - HB2   LEU  123  11.20 +/- 4.80   4.757% *  0.1315% (0.92   1.0  1.00   0.02   0.02) =   0.007%
          QB    LYS+  66 - HB2   LEU  123   7.80 +/- 2.29   0.698% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HB2   LEU  123  14.99 +/- 1.84   0.003% *  0.7496% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LEU  123  12.71 +/- 3.86   0.017% *  0.1190% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LEU  123  18.39 +/- 4.27   0.002% *  0.3962% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  15.50 +/- 2.52   0.004% *  0.0250% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  20.29 +/- 3.31   0.001% *  0.1278% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   LEU  123  21.18 +/- 4.18   0.001% *  0.1035% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  20.08 +/- 3.52   0.001% *  0.0586% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LEU  123  21.73 +/- 2.01   0.000% *  0.1236% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   LEU  123  22.39 +/- 2.20   0.000% *  0.0979% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  29.07 +/- 1.17   0.000% *  0.0922% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  29.09 +/- 1.83   0.000% *  0.0807% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.92, residual support = 202.3:
    * O T QD1   LEU  123 - HB2   LEU  123   2.67 +/- 0.34  98.301% * 99.6081% (1.00  10.0 10.00   5.92 202.29) =  99.999%  kept
          QG1   VAL   70 - HB2   LEU  123   8.81 +/- 4.12   1.481% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB2   LEU  123   9.57 +/- 2.90   0.198% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU  123  14.52 +/- 4.42   0.010% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  123  15.66 +/- 3.66   0.005% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  123  14.91 +/- 2.11   0.006% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 202.3:
    * O T QD2   LEU  123 - HB2   LEU  123   2.78 +/- 0.41  99.765% * 99.4960% (1.00  10.0 10.00   4.87 202.29) =  99.999%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.58 +/- 0.80   0.213% *  0.4843% (0.49   1.0 10.00   0.02   2.26) =   0.001%
          HB3   LEU  104 - HB2   LEU  123  14.52 +/- 4.42   0.021% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 202.3:
    * O T HA    LEU  123 - HG    LEU  123   3.28 +/- 0.68  99.778% * 99.5102% (0.69  10.0 10.00   5.42 202.29) = 100.000%  kept
          HA    ASP- 113 - HG    LEU  123  12.27 +/- 1.60   0.094% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU  123  14.21 +/- 2.39   0.046% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG    LEU  123  13.85 +/- 1.71   0.039% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  123  17.71 +/- 4.93   0.014% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU  123  16.46 +/- 4.62   0.022% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  19.19 +/- 2.90   0.005% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU  123  23.71 +/- 4.66   0.002% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  24.61 +/- 3.10   0.001% *  0.0339% (0.23   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 1595 (1.68, 1.85, 26.16 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 5.32, residual support = 202.3:
    * O T HB2   LEU  123 - HG    LEU  123   2.54 +/- 0.30  99.791% * 96.6014% (0.69  10.0 10.00   5.32 202.29) = 100.000%  kept
          HB2   LYS+ 121 - HG    LEU  123   7.50 +/- 0.60   0.179% *  0.0298% (0.21   1.0  1.00   0.02   2.26) =   0.000%
        T QD    LYS+  65 - HG    LEU  123  12.79 +/- 1.82   0.011% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG    LEU  123  17.72 +/- 1.86   0.001% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG    LEU  123  20.27 +/- 2.26   0.001% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG    LEU  123  14.64 +/- 4.45   0.012% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG    LEU  123  21.26 +/- 3.46   0.001% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  15.85 +/- 1.84   0.002% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  19.89 +/- 4.52   0.002% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  19.95 +/- 3.12   0.001% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  21.78 +/- 1.72   0.000% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  26.61 +/- 2.60   0.000% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1596 (1.63, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.11, residual support = 202.3:
    * O T HB3   LEU  123 - HG    LEU  123   2.78 +/- 0.16  99.989% * 97.8109% (0.69  10.0 10.00   5.11 202.29) = 100.000%  kept
        T HD3   LYS+ 111 - HG    LEU  123  18.60 +/- 1.97   0.001% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG    LEU  123  21.28 +/- 3.80   0.001% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG    LEU  123  14.37 +/- 1.50   0.007% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG    LEU  123  21.56 +/- 2.43   0.001% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG    LEU  123  19.62 +/- 2.21   0.001% *  0.0554% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.05 A, kept.
 
    Peak 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 = 5.6, residual support = 202.3:
    * O T QD1   LEU  123 - HG    LEU  123   2.12 +/- 0.02  99.364% * 99.6081% (0.69  10.0 10.00   5.60 202.29) = 100.000%  kept
          QG1   VAL   70 - HG    LEU  123   8.79 +/- 3.86   0.407% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  123   9.10 +/- 2.64   0.224% *  0.0340% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  14.99 +/- 4.15   0.002% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  123  15.60 +/- 3.33   0.001% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  123  14.42 +/- 1.77   0.001% *  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 = 4.56, residual support = 202.3:
    * O T QD2   LEU  123 - HG    LEU  123   2.12 +/- 0.01  99.981% * 99.9316% (0.69  10.0 10.00   4.56 202.29) = 100.000%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.26 +/- 0.80   0.017% *  0.0486% (0.33   1.0  1.00   0.02   2.26) =   0.000%
          HB3   LEU  104 - HG    LEU  123  14.99 +/- 4.15   0.002% *  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 = 6.03, residual support = 202.3:
    *   T HA    LEU  123 - QD1   LEU  123   2.91 +/- 0.91  99.454% * 99.5102% (1.00 10.00   6.03 202.29) = 100.000%  kept
          HA    ASP- 113 - QD1   LEU  123  10.06 +/- 0.94   0.247% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU  123  11.41 +/- 1.73   0.094% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU  123  10.91 +/- 1.21   0.095% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD1   LEU  123  13.49 +/- 3.54   0.053% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD1   LEU  123  14.57 +/- 3.94   0.032% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD1   LEU  123  15.43 +/- 2.15   0.018% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD1   LEU  123  19.56 +/- 3.54   0.004% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  20.01 +/- 2.18   0.004% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 5.92, residual support = 202.3:
    * O T HB2   LEU  123 - QD1   LEU  123   2.67 +/- 0.34  98.732% * 99.3293% (1.00  10.0 10.00   5.92 202.29) = 100.000%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.97 +/- 0.52   1.129% *  0.0307% (0.31   1.0  1.00   0.02   2.26) =   0.000%
          QD    LYS+  99 - QD1   LEU  123  12.09 +/- 3.51   0.050% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD1   LEU  123  10.07 +/- 1.26   0.059% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  123  12.96 +/- 1.45   0.011% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  123  14.60 +/- 1.35   0.004% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  123  16.51 +/- 1.82   0.003% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD1   LEU  123  16.50 +/- 3.36   0.004% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  16.15 +/- 2.36   0.003% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  123  17.63 +/- 2.79   0.002% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  123  17.84 +/- 1.44   0.001% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  21.80 +/- 2.19   0.001% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.7, residual support = 202.3:
    * O T HB3   LEU  123 - QD1   LEU  123   2.74 +/- 0.40  99.951% * 99.6484% (1.00  10.0 10.00   5.70 202.29) = 100.000%  kept
          QB    ALA   57 - QD1   LEU  123  11.54 +/- 1.16   0.032% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD1   LEU  123  17.38 +/- 3.07   0.005% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD1   LEU  123  15.35 +/- 1.49   0.005% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD1   LEU  123  15.84 +/- 1.84   0.005% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD1   LEU  123  17.54 +/- 1.80   0.003% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.6, residual support = 202.3:
    * O T HG    LEU  123 - QD1   LEU  123   2.12 +/- 0.02  98.466% * 98.8924% (0.69  10.0 10.00   5.60 202.29) =  99.999%  kept
          HG3   PRO   68 - QD1   LEU  123   8.82 +/- 3.08   0.379% *  0.1329% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD1   LEU  123   5.39 +/- 1.58   1.122% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD1   LEU  123  10.55 +/- 2.97   0.016% *  0.1203% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   LEU  123  12.31 +/- 1.50   0.003% *  0.0757% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   LEU  123  11.87 +/- 2.34   0.009% *  0.0252% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  15.09 +/- 3.17   0.002% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  16.97 +/- 2.58   0.001% *  0.1291% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   LEU  123  16.88 +/- 1.90   0.001% *  0.1249% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   LEU  123  17.28 +/- 2.78   0.001% *  0.1045% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  16.66 +/- 2.84   0.001% *  0.0592% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   LEU  123  17.81 +/- 1.89   0.000% *  0.0989% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  23.65 +/- 1.40   0.000% *  0.0931% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  23.61 +/- 1.52   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 = 4.95, residual support = 202.3:
    * O T QD2   LEU  123 - QD1   LEU  123   2.08 +/- 0.05  99.943% * 99.7540% (1.00  10.0 10.00   4.95 202.29) = 100.000%  kept
          HG3   LYS+ 121 - QD1   LEU  123   7.57 +/- 0.63   0.051% *  0.0486% (0.49   1.0  1.00   0.02   2.26) =   0.000%
        T HB3   LEU  104 - QD1   LEU  123  12.34 +/- 3.29   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 = 4.88, residual support = 202.3:
    *   T HA    LEU  123 - QD2   LEU  123   2.94 +/- 0.28  99.822% * 99.5102% (1.00 10.00   4.88 202.29) = 100.000%  kept
          HA    ILE   56 - QD2   LEU  123  12.37 +/- 2.23   0.044% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU  123  11.08 +/- 1.13   0.054% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU  123  11.69 +/- 1.51   0.038% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD2   LEU  123  14.53 +/- 4.21   0.022% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD2   LEU  123  15.73 +/- 4.37   0.011% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU  123  15.91 +/- 3.02   0.007% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU  123  20.43 +/- 4.31   0.002% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  20.28 +/- 3.18   0.001% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 202.3:
    * O T HB2   LEU  123 - QD2   LEU  123   2.78 +/- 0.41  99.551% * 99.0560% (1.00  10.0 10.00   4.87 202.29) =  99.999%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   7.83 +/- 0.51   0.271% *  0.3057% (0.31   1.0 10.00   0.02   2.26) =   0.001%
          QD    LYS+  65 - QD2   LEU  123  10.32 +/- 1.78   0.104% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU  123  13.04 +/- 3.93   0.042% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU  123  15.77 +/- 1.16   0.005% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD2   LEU  123  17.28 +/- 3.02   0.006% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  14.48 +/- 1.44   0.008% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU  123  17.13 +/- 4.19   0.005% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU  123  17.75 +/- 2.03   0.003% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU  123  18.83 +/- 3.04   0.002% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU  123  19.18 +/- 1.70   0.001% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  23.14 +/- 2.44   0.001% *  0.0407% (0.41   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 1608 (1.63, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 202.3:
    * O T HB3   LEU  123 - QD2   LEU  123   2.42 +/- 0.44  99.984% * 99.6484% (1.00  10.0 10.00   4.54 202.29) = 100.000%  kept
          QB    ALA   57 - QD2   LEU  123  12.26 +/- 1.39   0.010% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD2   LEU  123  18.01 +/- 3.76   0.002% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU  123  16.55 +/- 1.44   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  16.91 +/- 2.09   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  18.28 +/- 2.35   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.56, residual support = 202.3:
    * O T HG    LEU  123 - QD2   LEU  123   2.12 +/- 0.01  97.443% * 98.6685% (0.69  10.0 10.00   4.56 202.29) =  99.997%  kept
          HG3   PRO   68 - QD2   LEU  123   9.01 +/- 4.01   1.670% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - QD2   LEU  123   5.95 +/- 2.18   0.871% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD2   LEU  123  13.00 +/- 2.78   0.006% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD2   LEU  123  12.24 +/- 2.89   0.005% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD2   LEU  123  13.80 +/- 1.49   0.002% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD2   LEU  123  17.62 +/- 2.53   0.000% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD2   LEU  123  17.95 +/- 3.60   0.001% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  16.36 +/- 3.61   0.001% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  18.47 +/- 2.62   0.000% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  123  18.91 +/- 2.41   0.000% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  18.15 +/- 2.82   0.000% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  25.02 +/- 1.51   0.000% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  24.76 +/- 1.75   0.000% *  0.0813% (0.57   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 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.95, residual support = 202.3:
    * O T QD1   LEU  123 - QD2   LEU  123   2.08 +/- 0.05  93.435% * 99.6081% (1.00  10.0 10.00   4.95 202.29) =  99.995%  kept
          QG1   VAL   70 - QD2   LEU  123   7.70 +/- 3.64   3.694% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU   63 - QD2   LEU  123   8.11 +/- 2.77   2.862% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD2   LEU  123  13.40 +/- 3.20   0.003% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD2   LEU  123  12.36 +/- 1.82   0.003% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU  123  13.82 +/- 3.50   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 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   2.13 +/- 0.01  99.768% * 97.4620% (1.00  10.0 10.00   1.00   9.22) = 100.000%  kept
        T HB2   LEU   31 - HA    ALA   34   7.66 +/- 0.20   0.047% *  0.0730% (0.07   1.0 10.00   0.02   4.90) =   0.000%
          HG2   LYS+  38 - HA    ALA   34   6.46 +/- 0.30   0.133% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA  124  14.16 +/- 2.25   0.002% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  16.79 +/- 6.90   0.004% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ALA   34  18.03 +/- 5.23   0.001% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34   8.87 +/- 0.99   0.025% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34  10.88 +/- 1.15   0.008% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   31 - HA    ALA  124  26.09 +/- 5.38   0.000% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  20.25 +/- 5.07   0.000% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA  124  26.58 +/- 1.92   0.000% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  18.89 +/- 0.78   0.000% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  10.61 +/- 0.69   0.007% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  20.87 +/- 2.34   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  21.36 +/- 6.73   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  19.38 +/- 3.13   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  16.53 +/- 1.66   0.001% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  16.20 +/- 0.71   0.001% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  23.51 +/- 1.33   0.000% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  23.08 +/- 1.42   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  20.37 +/- 1.51   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  14.12 +/- 1.38   0.001% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  18.27 +/- 0.74   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  23.37 +/- 5.49   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  22.55 +/- 3.72   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  17.23 +/- 0.70   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  30.41 +/- 3.04   0.000% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  22.23 +/- 1.34   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  28.36 +/- 2.71   0.000% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  27.41 +/- 1.63   0.000% *  0.0028% (0.03   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 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   2.13 +/- 0.01  99.997% * 98.8388% (1.00  10.0 10.00   1.00   9.22) = 100.000%  kept
        T HA    ALA   34 - QB    ALA  124  18.03 +/- 5.23   0.001% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA  124  13.77 +/- 1.26   0.002% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   28 - QB    ALA  124  24.08 +/- 4.12   0.000% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  21.85 +/- 5.67   0.000% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA  124  20.92 +/- 1.53   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  20.01 +/- 4.92   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  28.69 +/- 2.03   0.000% *  0.0755% (0.76   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 1633 (1.63, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.37, residual support = 202.3:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00 100.000% * 97.4949% (1.00  10.0 10.00   5.37 202.29) = 100.000%  kept
        T HD3   LYS+ 111 - HB2   LEU  123  18.84 +/- 1.81   0.000% *  0.8744% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LEU  123  21.38 +/- 4.38   0.000% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB2   LEU  123  20.27 +/- 2.39   0.000% *  0.5520% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LEU  123  15.13 +/- 1.12   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  22.48 +/- 1.98   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 = 5.37, residual support = 202.3:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  99.980% * 96.4170% (0.99  10.0 10.00   5.37 202.29) = 100.000%  kept
          HB2   LYS+ 121 - HB3   LEU  123   7.81 +/- 0.85   0.018% *  0.0365% (0.38   1.0  1.00   0.02   2.26) =   0.000%
        T QD    LYS+  65 - HB3   LEU  123  13.51 +/- 2.01   0.001% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LEU  123  19.83 +/- 5.07   0.000% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU  123  18.63 +/- 1.35   0.000% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB3   LEU  123  21.46 +/- 3.93   0.000% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  14.62 +/- 5.04   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  16.35 +/- 2.09   0.000% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  27.50 +/- 2.96   0.000% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  20.74 +/- 3.77   0.000% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  21.45 +/- 2.12   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  22.91 +/- 1.33   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 = 5.7, residual support = 202.3:
    * O T QD1   LEU  123 - HB3   LEU  123   2.74 +/- 0.40  98.353% * 99.6081% (1.00  10.0 10.00   5.70 202.29) =  99.999%  kept
          QG1   VAL   70 - HB3   LEU  123   9.05 +/- 4.43   1.197% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU  123   9.97 +/- 3.21   0.428% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  15.23 +/- 4.76   0.010% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB3   LEU  123  15.97 +/- 3.94   0.007% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB3   LEU  123  15.22 +/- 2.28   0.005% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 202.3:
    * O T QD2   LEU  123 - HB3   LEU  123   2.42 +/- 0.44  99.906% * 99.9316% (1.00  10.0 10.00   4.54 202.29) = 100.000%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.33 +/- 0.79   0.085% *  0.0486% (0.49   1.0  1.00   0.02   2.26) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  15.23 +/- 4.76   0.009% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.11, residual support = 202.2:
    * O T HG    LEU  123 - HB3   LEU  123   2.78 +/- 0.16  97.384% * 95.7694% (0.69  10.0 10.00   5.11 202.29) =  99.978%  kept
        T HG3   PRO   68 - HB3   LEU  123  11.17 +/- 4.91   1.587% *  1.2870% (0.92   1.0 10.00   0.02   0.02) =   0.022%
          QB    LYS+  66 - HB3   LEU  123   7.85 +/- 2.49   0.999% *  0.0215% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   LEU  123  13.49 +/- 4.11   0.016% *  0.1165% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB3   LEU  123  21.48 +/- 4.48   0.001% *  1.0124% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB3   LEU  123  22.04 +/- 2.13   0.000% *  1.2094% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  15.72 +/- 2.14   0.004% *  0.0734% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  15.99 +/- 2.43   0.005% *  0.0244% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  21.04 +/- 3.69   0.001% *  0.1250% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  18.97 +/- 4.65   0.002% *  0.0388% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  20.81 +/- 3.87   0.001% *  0.0573% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB3   LEU  123  22.95 +/- 2.18   0.000% *  0.0958% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  29.74 +/- 1.37   0.000% *  0.0902% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  29.64 +/- 1.94   0.000% *  0.0789% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1639 (4.38, 1.63, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.49, residual support = 202.3:
    * O T HA    LEU  123 - HB3   LEU  123   2.60 +/- 0.20  99.976% * 99.5102% (1.00  10.0 10.00   5.49 202.29) = 100.000%  kept
          HA    ASP- 113 - HB3   LEU  123  13.21 +/- 0.89   0.007% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  123  15.48 +/- 1.83   0.003% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  16.68 +/- 5.30   0.006% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  17.91 +/- 5.58   0.003% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  15.05 +/- 1.44   0.004% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  23.90 +/- 5.37   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  19.81 +/- 3.68   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  25.13 +/- 3.77   0.000% *  0.0339% (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 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.99, support = 5.55, residual support = 314.8:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  94.987% * 76.1572% (1.00  10.0   5.52 314.80) =  98.536%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.67 +/- 0.69   4.572% * 23.5057% (0.31  10.0   6.99 314.80) =   1.464%  kept
          QD    LYS+  66 - HD3   LYS+ 121  12.54 +/- 3.47   0.421% *  0.0610% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 121  11.50 +/- 4.62   0.016% *  0.0235% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  17.68 +/- 3.02   0.001% *  0.0755% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  12.88 +/- 3.37   0.002% *  0.0133% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  13.72 +/- 2.53   0.001% *  0.0170% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  21.00 +/- 2.17   0.000% *  0.0735% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  21.01 +/- 2.11   0.000% *  0.0582% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  21.10 +/- 2.05   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   2.63 +/- 0.30  99.743% * 99.7211% (1.00  10.0   6.28 314.80) = 100.000%  kept
          QG2   VAL  107 - HD3   LYS+ 121   9.15 +/- 2.02   0.133% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+ 121   9.07 +/- 0.92   0.097% *  0.0308% (0.31   1.0   0.02   2.53) =   0.000%
          HG13  ILE  103 - HD3   LYS+ 121  14.04 +/- 4.06   0.026% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HD3   LYS+ 121  20.66 +/- 1.47   0.001% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+ 121  21.67 +/- 3.57   0.001% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1660 (0.80, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 314.8:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.61 +/- 0.28  99.907% * 98.9917% (1.00  10.0 10.00   5.98 314.80) = 100.000%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  12.14 +/- 1.12   0.013% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+ 121   9.28 +/- 0.63   0.076% *  0.0482% (0.49   1.0  1.00   0.02   2.26) =   0.000%
        T QD2   LEU   73 - HD3   LYS+ 121  15.95 +/- 2.09   0.003% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+ 121  21.28 +/- 3.53   0.001% *  0.0220% (0.22   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 1661 (1.66, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.08, residual support = 314.8:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.23 +/- 0.29  99.583% * 99.2313% (1.00  10.0  1.00   7.08 314.80) = 100.000%  kept
          HB2   LEU  123 - HD3   LYS+ 121   8.83 +/- 0.72   0.320% *  0.0306% (0.31   1.0  1.00   0.02   2.26) =   0.000%
          QD    LYS+  65 - HD3   LYS+ 121  17.02 +/- 2.58   0.037% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+ 121  15.86 +/- 2.67   0.013% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HD3   LYS+ 121  16.09 +/- 4.14   0.024% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   LYS+ 121  18.09 +/- 3.20   0.007% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+ 121  16.01 +/- 1.07   0.008% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  19.10 +/- 2.29   0.004% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD3   LYS+ 121  20.24 +/- 2.09   0.002% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+ 121  23.75 +/- 3.23   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.91, residual support = 314.8:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.42 +/- 0.14  99.818% * 99.7880% (1.00  10.0   5.91 314.80) = 100.000%  kept
          HB3   HIS  122 - HD3   LYS+ 121   7.45 +/- 1.18   0.182% *  0.0833% (0.84   1.0   0.02  49.70) =   0.000%
          HG2   GLN   30 - HD3   LYS+ 121  23.05 +/- 3.06   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+ 121  26.36 +/- 3.29   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  28.40 +/- 2.18   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.63, residual support = 314.6:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   4.17 +/- 0.61  62.796% * 99.1042% (1.00 10.00   6.64 314.80) =  99.951%  kept
          QB    SER  117 - HD3   LYS+ 121   5.67 +/- 2.28  34.568% *  0.0828% (0.84  1.00   0.02   0.02) =   0.046%
          HA    ALA  120 - HD3   LYS+ 121   7.51 +/- 0.63   2.176% *  0.0757% (0.76  1.00   0.02   2.00) =   0.003%
        T HA    LYS+  65 - HD3   LYS+ 121  17.43 +/- 2.66   0.119% *  0.3381% (0.34 10.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HD3   LYS+ 121  13.05 +/- 1.71   0.253% *  0.0276% (0.28  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 121  16.09 +/- 2.54   0.052% *  0.0982% (0.99  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 121  20.55 +/- 2.92   0.027% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 121  24.98 +/- 1.50   0.002% *  0.0982% (0.99  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 121  25.07 +/- 1.68   0.002% *  0.0937% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 121  24.63 +/- 2.93   0.003% *  0.0407% (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 = 7.65, residual support = 314.8:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.82 +/- 0.13  99.680% * 99.7211% (0.84  10.0 10.00   7.65 314.80) = 100.000%  kept
          QG2   VAL  107 - HB3   LYS+ 121   9.12 +/- 1.17   0.121% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB3   LYS+ 121   8.22 +/- 0.38   0.177% *  0.0308% (0.26   1.0  1.00   0.02   2.53) =   0.000%
          HG13  ILE  103 - HB3   LYS+ 121  13.49 +/- 3.76   0.020% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB3   LYS+ 121  20.03 +/- 1.30   0.001% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB3   LYS+ 121  20.64 +/- 3.52   0.001% *  0.0277% (0.23   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 1668 (0.80, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 6.97, residual support = 314.8:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.38 +/- 0.19  99.885% * 99.5295% (0.84  10.0 10.00   6.97 314.80) = 100.000%  kept
          QD2   LEU  123 - HB3   LYS+ 121   8.22 +/- 0.56   0.104% *  0.0484% (0.41   1.0  1.00   0.02   2.26) =   0.000%
        T QD2   LEU   73 - HB3   LYS+ 121  15.02 +/- 2.04   0.003% *  0.3395% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LYS+ 121  12.08 +/- 0.83   0.007% *  0.0604% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   LYS+ 121  20.31 +/- 3.37   0.001% *  0.0222% (0.19   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 1669 (1.66, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.76, residual support = 314.8:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  99.978% * 97.1314% (0.84  10.0 10.00   8.76 314.80) = 100.000%  kept
          HB2   LEU  123 - HB3   LYS+ 121   7.39 +/- 0.63   0.020% *  0.0300% (0.26   1.0  1.00   0.02   2.26) =   0.000%
        T QD    LYS+ 102 - HB3   LYS+ 121  15.54 +/- 3.75   0.000% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+ 121  16.36 +/- 1.44   0.000% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LYS+ 121  17.02 +/- 3.10   0.000% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  16.48 +/- 1.92   0.000% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  15.75 +/- 0.53   0.000% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  19.57 +/- 1.79   0.000% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  19.04 +/- 1.74   0.000% *  0.0331% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  23.22 +/- 2.74   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 = 0.825, support = 6.88, residual support = 295.2:
    *     QE    LYS+ 121 - HB3   LYS+ 121   3.72 +/- 0.60  88.545% * 60.9870% (0.84  1.00   7.01 314.80) =  92.595%  kept
          HB3   HIS  122 - HB3   LYS+ 121   5.75 +/- 1.06  11.450% * 37.7131% (0.70  1.00   5.19  49.70) =   7.404%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  22.02 +/- 2.79   0.003% *  1.1951% (0.57 10.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB3   LYS+ 121  25.46 +/- 3.18   0.001% *  0.0780% (0.37  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB3   LYS+ 121  28.14 +/- 1.90   0.001% *  0.0268% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1671 (3.94, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.16, residual support = 314.8:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.65 +/- 0.22  98.694% * 99.1042% (0.84  10.0 10.00   8.16 314.80) =  99.999%  kept
          QB    SER  117 - HB3   LYS+ 121   6.30 +/- 0.81   0.694% *  0.0828% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB3   LYS+ 121   6.30 +/- 0.19   0.593% *  0.0757% (0.64   1.0  1.00   0.02   2.00) =   0.000%
        T HA    LYS+  65 - HB3   LYS+ 121  16.49 +/- 1.32   0.002% *  0.3381% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB3   LYS+ 121  12.28 +/- 1.21   0.013% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LYS+ 121  16.04 +/- 1.96   0.003% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  19.60 +/- 1.82   0.001% *  0.0407% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  24.89 +/- 1.27   0.000% *  0.0937% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  24.93 +/- 1.05   0.000% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  24.42 +/- 2.57   0.000% *  0.0407% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1672 (1.52, 1.66, 32.89 ppm):
    9 chemical-shift based assignments, quality = 0.805, support = 8.63, residual support = 314.8:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  80.097% * 55.3563% (0.84  10.0 10.00   8.76 314.80) =  83.869%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.43 +/- 0.63  19.892% * 42.8727% (0.65  10.0 10.00   7.95 314.80) =  16.131%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  11.24 +/- 2.40   0.006% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121  11.28 +/- 3.84   0.003% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.12 +/- 1.69   0.000% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.99 +/- 1.65   0.001% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  19.64 +/- 1.58   0.000% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.60 +/- 1.69   0.000% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  20.06 +/- 1.65   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 = 0.791, support = 8.0, residual support = 309.5:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.65 +/- 0.22  48.728% * 52.0655% (0.84  10.0 10.00   8.16 314.80) =  87.986%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.93 +/- 0.44   6.096% * 40.3240% (0.65   1.0 10.00   7.49 314.80) =   8.525%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.80 +/- 0.57  44.717% *  2.2150% (0.04  10.0 10.00   5.27 164.30) =   3.435%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.96 +/- 0.58   0.409% *  3.7757% (0.06   1.0 10.00   5.46  25.13) =   0.054%
        T QD    LYS+  66 - HA    LYS+ 121  11.41 +/- 2.00   0.019% *  0.6016% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  12.43 +/- 4.41   0.016% *  0.0521% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.13 +/- 1.57   0.001% *  0.3529% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  13.49 +/- 1.59   0.003% *  0.0269% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  15.00 +/- 1.34   0.002% *  0.0453% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  21.89 +/- 1.62   0.000% *  0.4282% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.87 +/- 2.60   0.002% *  0.0253% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.49 +/- 1.32   0.001% *  0.0327% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  21.67 +/- 1.94   0.000% *  0.0303% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.97 +/- 1.27   0.004% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  14.56 +/- 0.97   0.002% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.76 +/- 1.74   0.000% *  0.0155% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  19.37 +/- 1.44   0.000% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  21.50 +/- 2.19   0.000% *  0.0028% (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 1675 (1.41, 3.94, 58.66 ppm):
    28 chemical-shift based assignments, quality = 0.966, support = 6.59, residual support = 309.6:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   4.17 +/- 0.61  24.654% * 97.6597% (1.00   1.0 10.00   6.64 314.80) =  96.563%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   3.22 +/- 0.59  70.642% *  1.2130% (0.01  10.0 10.00   5.27 164.30) =   3.437%  kept
          QB    ALA   61 - HA    LYS+  65   5.97 +/- 0.64   2.676% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+  65   6.77 +/- 0.81   1.631% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  14.62 +/- 3.61   0.018% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  17.50 +/- 1.38   0.004% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 121  14.91 +/- 1.59   0.012% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  17.43 +/- 2.66   0.009% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 121  13.28 +/- 2.58   0.029% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  10.12 +/- 1.44   0.119% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  13.95 +/- 2.93   0.019% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 121  14.83 +/- 0.57   0.009% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  13.50 +/- 1.96   0.065% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  23.60 +/- 3.51   0.001% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  13.76 +/- 0.91   0.015% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.63 +/- 1.56   0.001% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  17.34 +/- 1.52   0.004% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 121  22.05 +/- 2.80   0.001% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  11.25 +/- 0.75   0.051% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  18.09 +/- 3.00   0.018% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  24.47 +/- 2.42   0.001% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  26.26 +/- 2.05   0.000% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.14 +/- 2.44   0.002% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.90 +/- 0.84   0.004% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  26.29 +/- 2.58   0.000% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  13.95 +/- 0.86   0.014% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  22.10 +/- 0.92   0.001% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  21.93 +/- 0.89   0.001% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.08 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 = 6.13, residual support = 226.3:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  99.796% * 98.6779% (1.00  10.0 10.00   6.13 226.29) = 100.000%  kept
          QB    GLU- 114 - HB3   LEU  115   5.31 +/- 0.56   0.165% *  0.0305% (0.31   1.0  1.00   0.02  14.91) =   0.000%
        T HB2   LEU   67 - HB3   LEU   40   9.14 +/- 1.90   0.015% *  0.0927% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU  115   9.69 +/- 2.27   0.013% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  14.35 +/- 2.16   0.001% *  0.7902% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40   9.87 +/- 2.09   0.006% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  16.67 +/- 3.30   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  13.71 +/- 1.16   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.80 +/- 0.94   0.001% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HB3   LEU   40  17.26 +/- 1.83   0.000% *  0.1158% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  13.79 +/- 1.64   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  18.54 +/- 1.29   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  13.80 +/- 2.04   0.001% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  16.27 +/- 2.04   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  21.30 +/- 1.14   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  25.27 +/- 1.12   0.000% *  0.0032% (0.03   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 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 = 6.26, residual support = 231.1:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  99.974% * 98.3538% (1.00  10.0 10.00   6.26 231.10) = 100.000%  kept
          HB3   PRO   93 - HB3   LYS+ 112  11.07 +/- 2.73   0.024% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HB3   LYS+ 112  18.36 +/- 1.64   0.000% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  17.29 +/- 2.33   0.000% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LYS+ 112  16.82 +/- 1.00   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  14.31 +/- 2.14   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  18.96 +/- 2.58   0.000% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB3   LYS+ 112  21.21 +/- 1.93   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  16.86 +/- 1.69   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  20.13 +/- 1.15   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  21.09 +/- 1.23   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  26.73 +/- 1.50   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  29.03 +/- 1.84   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  27.41 +/- 2.60   0.000% *  0.0517% (0.53   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 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 = 0.934, support = 4.25, residual support = 231.1:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  93.305% * 56.6026% (0.95  10.0   4.17 231.10) =  94.813%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   3.10 +/- 0.61   6.679% * 43.2573% (0.72  10.0   5.70 231.10) =   5.187%  kept
          QG2   THR   94 - HD3   LYS+ 112  11.61 +/- 2.13   0.005% *  0.0453% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HD3   LYS+ 112   8.85 +/- 1.04   0.011% *  0.0212% (0.36   1.0   0.02  28.12) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  19.63 +/- 4.20   0.000% *  0.0175% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 112  22.46 +/- 1.82   0.000% *  0.0561% (0.94   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 = 6.85, residual support = 315.4:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  86.131% * 99.3620% (1.00  10.0   6.85 315.47) =  99.991%  kept
          QB    GLU- 114 - HB3   LYS+ 111   3.43 +/- 1.59  13.867% *  0.0563% (0.57   1.0   0.02   0.11) =   0.009%
          HB    ILE  119 - HB3   LYS+ 111  11.03 +/- 1.27   0.002% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  23.19 +/- 3.79   0.000% *  0.0862% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  23.19 +/- 2.36   0.000% *  0.0985% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  22.43 +/- 4.08   0.000% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  24.39 +/- 2.09   0.000% *  0.0985% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  23.99 +/- 2.14   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  25.31 +/- 2.77   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  29.91 +/- 1.97   0.000% *  0.0891% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  25.16 +/- 2.32   0.000% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  27.09 +/- 2.79   0.000% *  0.0276% (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 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 = 58.0:
    * O T QG1   VAL  107 - HA    VAL  107   2.37 +/- 0.37  99.866% * 99.5482% (1.00  10.0 10.00   4.31  58.03) = 100.000%  kept
          HD3   LYS+ 112 - HA    VAL  107  11.61 +/- 1.58   0.027% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   9.27 +/- 1.58   0.062% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  11.67 +/- 2.32   0.043% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - HA    VAL  107  17.89 +/- 1.26   0.001% *  0.2482% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    VAL  107  17.86 +/- 1.52   0.001% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  20.24 +/- 1.28   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1748 (1.15, 4.48, 62.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.59, residual support = 58.0:
    * O T QG2   VAL  107 - HA    VAL  107   2.66 +/- 0.30  99.767% * 99.7501% (1.00  10.0 10.00   3.59  58.03) = 100.000%  kept
          HG2   LYS+ 121 - HA    VAL  107  11.09 +/- 2.92   0.056% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    VAL  107  10.43 +/- 0.89   0.035% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   9.27 +/- 1.58   0.140% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    VAL  107  17.85 +/- 1.56   0.002% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  20.24 +/- 1.28   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 3.22, residual support = 42.1:
    * O T HB3   ASP- 105 - HA    ASP- 105   2.83 +/- 0.22  93.878% * 83.8692% (1.00  10.0 10.00   3.21  42.29) =  98.957%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.64 +/- 0.15   5.354% * 15.4967% (0.87   1.0  1.00   4.26  21.45) =   1.043%  kept
          HB    ILE  103 - HA    ASP- 105   6.89 +/- 0.27   0.494% *  0.0831% (0.99   1.0  1.00   0.02   2.59) =   0.001%
          HG12  ILE  103 - HA    ASP- 105   7.78 +/- 0.37   0.252% *  0.0129% (0.15   1.0  1.00   0.02   2.59) =   0.000%
          HG3   PRO   68 - HA    ASP- 105  17.37 +/- 3.08   0.003% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ASP- 105  15.12 +/- 2.95   0.007% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  15.90 +/- 1.35   0.004% *  0.0376% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ASP- 105  18.46 +/- 0.93   0.001% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ASP- 105  19.97 +/- 1.44   0.001% *  0.0793% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  17.27 +/- 0.88   0.002% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ASP- 105  21.42 +/- 1.17   0.001% *  0.0752% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  19.42 +/- 1.35   0.001% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  22.76 +/- 0.76   0.000% *  0.0837% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  18.36 +/- 1.00   0.001% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.95 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 = 3.31, residual support = 42.3:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  99.968% * 99.5527% (0.95  10.0 10.00   3.31  42.29) = 100.000%  kept
          HB2   MET   96 - HB3   ASP- 105   8.71 +/- 1.27   0.019% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105   9.37 +/- 2.70   0.010% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   ASP- 105  14.11 +/- 1.24   0.000% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  11.28 +/- 1.21   0.002% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  17.93 +/- 1.55   0.000% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  21.70 +/- 1.31   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  18.69 +/- 1.54   0.000% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  22.43 +/- 1.27   0.000% *  0.0512% (0.49   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 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 = 4.92, residual support = 139.6:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  49.999% * 66.9933% (1.00  10.0  1.00   4.76 135.59) =  67.312%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  49.999% * 32.5339% (0.49  10.0  1.00   5.26 147.86) =  32.688%  kept
        T HB3   LYS+ 111 - HG3   LYS+ 106  13.07 +/- 2.69   0.001% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  11.24 +/- 1.38   0.001% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65  13.01 +/- 2.38   0.001% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  19.09 +/- 1.49   0.000% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  20.50 +/- 1.82   0.000% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  20.65 +/- 1.72   0.000% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  20.89 +/- 1.09   0.000% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  19.31 +/- 1.95   0.000% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  17.98 +/- 1.29   0.000% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  21.96 +/- 2.42   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  17.93 +/- 1.98   0.000% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  17.47 +/- 1.44   0.000% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  23.90 +/- 1.72   0.000% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  23.42 +/- 2.73   0.000% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  21.93 +/- 2.03   0.000% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  20.77 +/- 2.36   0.000% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  23.54 +/- 1.53   0.000% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  28.89 +/- 2.53   0.000% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1762 (1.37, 1.37, 25.37 ppm):
    4 diagonal assignments:
    *     HG3   LYS+ 106 - HG3   LYS+ 106  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.51)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.36)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.17)  kept
 
    Peak 1770 (1.82, 1.82, 28.60 ppm):
    1 diagonal assignment:
    *     HG12  ILE  103 - HG12  ILE  103  (0.64)  kept
 
    Peak 1771 (1.82, 1.16, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 135.6:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  99.924% * 99.2815% (0.80  10.0 10.00   4.26 135.65) = 100.000%  kept
          QB    LYS+ 102 - HG13  ILE  103   6.42 +/- 0.44   0.045% *  0.0900% (0.73   1.0  1.00   0.02  22.38) =   0.000%
          HB    VAL   41 - HG13  ILE  103   7.17 +/- 0.95   0.029% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE  103  11.99 +/- 0.91   0.001% *  0.0702% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  16.18 +/- 0.93   0.000% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE  103  17.14 +/- 1.71   0.000% *  0.1237% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  19.20 +/- 3.23   0.000% *  0.0652% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  19.19 +/- 1.25   0.000% *  0.0752% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  19.84 +/- 1.24   0.000% *  0.0652% (0.53   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 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 = 5.69, residual support = 187.6:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  99.894% * 99.4757% (0.80  10.0   5.69 187.57) = 100.000%  kept
          QG2   THR   26 - HB3   LYS+  74   6.29 +/- 1.11   0.104% *  0.0654% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LYS+  74  13.45 +/- 2.14   0.001% *  0.0557% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   LYS+  74  16.19 +/- 0.86   0.000% *  0.1114% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  17.04 +/- 2.15   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HB3   LYS+  74  15.38 +/- 1.68   0.000% *  0.0310% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  18.75 +/- 1.32   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  15.20 +/- 0.93   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  16.52 +/- 1.24   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  21.18 +/- 1.84   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 = 5.17, residual support = 216.2:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  99.997% * 99.3078% (1.00  10.0 10.00   5.17 216.15) = 100.000%  kept
          HG3   LYS+ 111 - HG13  ILE   89  16.84 +/- 4.14   0.001% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG13  ILE   89  12.20 +/- 1.88   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG13  ILE   89  20.27 +/- 1.78   0.000% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  18.97 +/- 4.27   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  18.46 +/- 2.08   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  18.06 +/- 1.88   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  19.18 +/- 1.69   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.13 +/- 0.01  99.920% * 99.6237% (1.00  10.0 10.00   2.81  24.31) = 100.000%  kept
          HA1   GLY   51 - QB    ALA   57   7.93 +/- 0.72   0.044% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57   8.65 +/- 1.08   0.030% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   57  12.31 +/- 1.30   0.003% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   57  15.27 +/- 1.32   0.001% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - QB    ALA   57  14.01 +/- 0.88   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  19.60 +/- 0.74   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  17.63 +/- 1.08   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  18.45 +/- 1.41   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  23.10 +/- 2.88   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1926 (4.26, 4.26, 57.40 ppm):
    1 diagonal assignment:
    *     HA    ALA   57 - HA    ALA   57  (1.00)  kept
 
    Peak 1933 (0.79, 0.79, 15.02 ppm):
    1 diagonal assignment:
    *     QD1   ILE   56 - QD1   ILE   56  (0.89)  kept
 
    Peak 1940 (4.27, 4.27, 48.66 ppm):
    1 diagonal assignment:
    *     HA1   GLY   51 - HA1   GLY   51  (1.00)  kept
 
    Peak 1941 (4.27, 3.94, 48.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 10.1:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  99.996% * 97.5263% (1.00  10.0 10.00   2.81  10.09) = 100.000%  kept
          HA    ALA   57 - HA2   GLY   51  10.03 +/- 0.59   0.003% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  14.00 +/- 1.18   0.000% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  21.52 +/- 1.76   0.000% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  15.40 +/- 0.55   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  18.21 +/- 1.49   0.000% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  25.73 +/- 1.25   0.000% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  22.00 +/- 1.89   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  30.67 +/- 0.94   0.000% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  34.55 +/- 4.28   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.69, residual support = 63.1:
    * O T QG2   VAL   24 - QG1   VAL   24   2.03 +/- 0.05  99.999% * 99.5951% (1.00  10.0 10.00   2.69  63.10) = 100.000%  kept
        T QG1   VAL  107 - QG1   VAL   24  15.08 +/- 1.38   0.001% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   24  18.33 +/- 2.68   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   24  21.77 +/- 1.91   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 = 6.45, residual support = 156.2:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  99.982% * 99.4743% (1.00  10.0 10.00   6.45 156.16) = 100.000%  kept
          HB3   ASN   28 - HG3   GLN   30   8.18 +/- 0.98   0.016% *  0.0918% (0.92   1.0  1.00   0.02   7.79) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  12.73 +/- 2.47   0.001% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  18.34 +/- 1.71   0.000% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HG3   GLN   30  20.29 +/- 3.14   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HG3   GLN   30  18.68 +/- 3.87   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  27.05 +/- 2.30   0.000% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  16.62 +/- 1.54   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  16.87 +/- 1.99   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  17.45 +/- 1.67   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  21.29 +/- 1.21   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  30.00 +/- 1.93   0.000% *  0.0185% (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 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 = 4.52, residual support = 147.9:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.49 +/- 0.40  97.397% * 99.0807% (1.00  10.0   4.52 147.86) =  99.999%  kept
          HB2   ASP-  78 - QG    LYS+  81   5.24 +/- 0.39   1.879% *  0.0307% (0.31   1.0   0.02   0.83) =   0.001%
          HB2   ASN   35 - HG2   LYS+  33   7.58 +/- 0.60   0.234% *  0.0338% (0.34   1.0   0.02   1.28) =   0.000%
          HB2   ASN   28 - HG2   LYS+  33  10.03 +/- 1.12   0.049% *  0.0971% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - QG    LYS+  81   6.84 +/- 0.54   0.358% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QG    LYS+  81   9.57 +/- 0.50   0.046% *  0.0326% (0.33   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+ 106  13.05 +/- 2.24   0.008% *  0.0413% (0.42   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  12.82 +/- 2.38   0.015% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - QG    LYS+  81  13.91 +/- 0.77   0.005% *  0.0465% (0.47   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+  33  17.81 +/- 2.02   0.001% *  0.0889% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  19.01 +/- 1.44   0.001% *  0.0681% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  19.92 +/- 1.79   0.001% *  0.0601% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  18.51 +/- 1.30   0.001% *  0.0474% (0.48   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  21.05 +/- 2.04   0.001% *  0.0539% (0.54   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  20.23 +/- 1.42   0.000% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  18.43 +/- 1.15   0.001% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  19.50 +/- 1.96   0.002% *  0.0093% (0.09   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - QG    LYS+  81  21.66 +/- 2.08   0.000% *  0.0425% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  23.28 +/- 1.04   0.000% *  0.0641% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  19.60 +/- 1.19   0.001% *  0.0205% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  21.50 +/- 1.70   0.000% *  0.0389% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  19.39 +/- 1.24   0.001% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  22.09 +/- 1.32   0.000% *  0.0162% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  26.84 +/- 0.75   0.000% *  0.0073% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 147.9:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.32 +/- 0.10  99.996% * 98.2551% (1.00  10.0 10.00   5.67 147.86) = 100.000%  kept
        T QG    LYS+  81 - QB    LYS+  33  18.60 +/- 0.79   0.000% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QB    LYS+  33  18.75 +/- 0.98   0.000% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  33  14.46 +/- 1.28   0.002% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  33  15.63 +/- 0.98   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  19.86 +/- 2.62   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  25.94 +/- 2.15   0.000% *  0.0478% (0.49   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 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.994, support = 4.83, residual support = 217.9:
    *     QE    LYS+  38 - HA    LYS+  38   4.48 +/- 0.27  68.938% * 93.8888% (1.00  1.00   4.84 219.14) =  99.323%  kept
          QE    LYS+  99 - HA    GLU- 100   6.51 +/- 0.73   9.255% *  4.3618% (0.05  1.00   4.15  39.92) =   0.619%  kept
          QE    LYS+  99 - HA    LYS+  38   7.05 +/- 1.29   9.714% *  0.3481% (0.90  1.00   0.02   0.02) =   0.052%
          QE    LYS+  38 - HA    GLU- 100   6.83 +/- 1.22   8.375% *  0.0235% (0.06  1.00   0.02   0.02) =   0.003%
          QE    LYS+ 102 - HA    LYS+  38  12.21 +/- 1.49   0.218% *  0.3583% (0.92  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HA    GLU- 100   8.10 +/- 0.93   2.994% *  0.0217% (0.06  1.00   0.02   0.02) =   0.001%
        T HB3   TRP   27 - HA    LYS+  38  15.96 +/- 0.62   0.036% *  0.8642% (0.22 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    LYS+  38  13.68 +/- 0.85   0.095% *  0.0768% (0.20  1.00   0.02   0.02) =   0.000%
        T HB3   TRP   27 - HA    GLU- 100  15.15 +/- 1.67   0.052% *  0.0522% (0.01 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    GLU- 100  11.21 +/- 0.61   0.323% *  0.0046% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2154 (3.02, 3.02, 42.83 ppm):
    3 diagonal assignments:
    *     QE    LYS+  38 - QE    LYS+  38  (1.00)  kept
          QE    LYS+  99 - QE    LYS+  99  (0.24)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.21)  kept
 
    Peak 2160 (1.33, 1.33, 26.01 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  99 - HG2   LYS+  99  (1.00)  kept
          HG2   LYS+  38 - HG2   LYS+  38  (0.27)  kept
 
    Peak 2162 (1.70, 1.70, 30.22 ppm):
    2 diagonal assignments:
    *     QD    LYS+  99 - QD    LYS+  99  (1.00)  kept
          QD    LYS+ 106 - QD    LYS+ 106  (0.80)  kept
 
    Peak 2172 (1.38, 1.38, 25.13 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  65 - HG3   LYS+  65  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.86)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.80)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.36)  kept
 
    Peak 2173 (2.93, 1.38, 25.13 ppm):
    24 chemical-shift based assignments, quality = 0.953, support = 4.43, residual support = 160.9:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.31 +/- 0.38  74.786% * 54.8141% (1.00  10.0 10.00   4.28 164.30) =  79.379%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.91 +/- 0.46  25.085% * 42.4513% (0.77  10.0 10.00   5.01 147.86) =  20.621%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.18 +/- 0.53   0.083% *  0.0287% (0.52   1.0  1.00   0.02   1.28) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33   9.97 +/- 1.98   0.030% *  0.0457% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  16.76 +/- 1.84   0.001% *  0.4916% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  14.58 +/- 2.82   0.005% *  0.0412% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.59 +/- 1.61   0.000% *  0.4001% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  18.00 +/- 1.69   0.000% *  0.4733% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.93 +/- 1.93   0.003% *  0.0271% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  13.54 +/- 2.14   0.003% *  0.0212% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  19.41 +/- 1.67   0.000% *  0.2063% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  20.53 +/- 1.53   0.000% *  0.2301% (0.42   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  17.38 +/- 2.27   0.001% *  0.0430% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  25.49 +/- 1.39   0.000% *  0.4461% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  18.86 +/- 1.96   0.000% *  0.0437% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.12 +/- 1.31   0.000% *  0.0222% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  18.99 +/- 1.06   0.000% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  24.47 +/- 1.46   0.000% *  0.0529% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  26.14 +/- 1.64   0.000% *  0.0506% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  24.37 +/- 1.17   0.000% *  0.0332% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  23.12 +/- 1.83   0.000% *  0.0206% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.45 +/- 1.79   0.000% *  0.0178% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  21.93 +/- 1.71   0.000% *  0.0086% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  26.79 +/- 2.13   0.000% *  0.0167% (0.31   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 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 = 4.57, residual support = 94.8:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.27 +/- 0.01  99.994% * 99.1144% (1.00  10.0 10.00   4.57  94.79) = 100.000%  kept
        T QG    GLN   90 - HG3   GLU-  29  20.28 +/- 1.58   0.000% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  15.61 +/- 1.20   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG3   GLU-  29  16.01 +/- 2.66   0.001% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  16.24 +/- 1.40   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG3   GLU-  29  16.14 +/- 2.22   0.001% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  17.05 +/- 1.02   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  18.64 +/- 1.95   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  24.33 +/- 0.98   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  26.38 +/- 1.37   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  26.14 +/- 2.08   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 0.00 A, kept.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.33, residual support = 94.8:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00 100.000% * 99.6674% (1.00  10.0 10.00   4.33  94.79) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  15.81 +/- 1.50   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  18.83 +/- 0.62   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  18.51 +/- 1.21   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  26.76 +/- 2.20   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  26.06 +/- 1.31   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  24.70 +/- 0.95   0.000% *  0.0249% (0.25   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 2192 (2.21, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.3:
    * O T QG    GLN   17 - HB3   GLN   17   2.34 +/- 0.12  99.989% * 98.5118% (0.76  10.0 10.00   4.31  84.28) = 100.000%  kept
        T HB    VAL   70 - HB3   GLN   17  11.60 +/- 1.24   0.009% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLN   17  17.82 +/- 0.97   0.001% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  17.38 +/- 1.09   0.001% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLN   17  19.16 +/- 1.44   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLN   17  22.70 +/- 1.75   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  20.66 +/- 1.56   0.000% *  0.0440% (0.34   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 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 = 84.3:
    * O T HA    GLN   17 - HB3   GLN   17   2.65 +/- 0.29  97.509% * 99.5390% (1.00  10.0 10.00   4.00  84.28) =  99.999%  kept
          HA    GLU-  15 - HB3   GLN   17   5.48 +/- 0.50   2.404% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   GLN   17  10.44 +/- 1.38   0.055% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   GLN   17  11.10 +/- 1.37   0.022% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   GLN   17  16.16 +/- 1.81   0.003% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   17  14.74 +/- 0.91   0.004% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   GLN   17  19.34 +/- 1.74   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   GLN   17  17.61 +/- 1.34   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2196 (2.01, 1.79, 31.50 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.3:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  99.889% * 97.4347% (1.00  10.0 10.00   4.00  84.28) =  99.999%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.42 +/- 0.70   0.071% *  0.9743% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   68 - HB3   GLN   17  12.25 +/- 2.76   0.003% *  0.7802% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   GLN   17   7.97 +/- 1.14   0.035% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HB3   GLN   17  13.58 +/- 1.60   0.001% *  0.4006% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   GLN   17  12.83 +/- 1.71   0.001% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  14.10 +/- 0.99   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   GLN   17  20.06 +/- 1.31   0.000% *  0.0922% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  20.59 +/- 1.81   0.000% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  17.08 +/- 1.41   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  24.46 +/- 2.60   0.000% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  24.06 +/- 1.80   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 = 0.911, support = 3.11, residual support = 47.5:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.81 +/- 0.23  69.012% * 72.0932% (1.00  10.0 10.00   2.96  48.15) =  85.775%  kept
      O T HG3   MET   11 - HA    MET   11   3.37 +/- 0.58  30.827% * 26.7625% (0.37  10.0 10.00   4.00  43.63) =  14.223%  kept
        T HG3   MET   11 - HA    GLU-  14  10.02 +/- 1.65   0.098% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   GLU-  14 - HA    MET   11  10.21 +/- 1.47   0.059% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  18.82 +/- 3.31   0.003% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.40 +/- 1.90   0.000% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  19.37 +/- 1.16   0.001% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  23.28 +/- 3.49   0.001% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  27.98 +/- 2.87   0.000% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  27.46 +/- 3.16   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  28.89 +/- 2.17   0.000% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  35.34 +/- 3.35   0.000% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 64.1:
    * O T HB2   MET   92 - HA    MET   92   2.84 +/- 0.25  99.569% * 99.5277% (1.00  10.0 10.00   3.87  64.15) = 100.000%  kept
          HB    ILE   56 - HA    MET   92  10.58 +/- 2.22   0.102% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    MET   92   8.04 +/- 0.70   0.274% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    MET   92  11.66 +/- 0.88   0.025% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   92  16.49 +/- 1.89   0.007% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    MET   92  12.24 +/- 1.31   0.021% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  20.65 +/- 0.96   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  29.56 +/- 0.70   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  23.34 +/- 1.08   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  26.55 +/- 1.85   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  34.46 +/- 3.73   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 = 63.5:
    * O T HB3   MET   92 - HA    MET   92   2.77 +/- 0.16  94.639% * 83.8274% (1.00  10.0 10.00   4.23  64.15) =  98.990%  kept
          HG3   PRO   93 - HA    MET   92   4.53 +/- 0.23   5.201% * 15.5546% (0.76   1.0  1.00   4.86   1.77) =   1.009%  kept
          HD2   LYS+ 111 - HA    MET   92  14.64 +/- 3.35   0.054% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    MET   92   9.68 +/- 2.10   0.091% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    MET   92  13.28 +/- 1.43   0.011% *  0.0700% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    MET   92  16.27 +/- 1.06   0.003% *  0.0809% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  21.03 +/- 1.41   0.001% *  0.0475% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  22.51 +/- 0.63   0.000% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    MET   92  27.33 +/- 0.67   0.000% *  0.1866% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  23.67 +/- 1.35   0.000% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2221 (2.31, 2.31, 33.13 ppm):
    1 diagonal assignment:
    *     HG2   MET   92 - HG2   MET   92  (1.00)  kept
 
    Peak 2222 (2.24, 2.24, 33.13 ppm):
    1 diagonal assignment:
    *     HG3   MET   92 - HG3   MET   92  (1.00)  kept
 
    Peak 2223 (2.31, 4.91, 52.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.49, residual support = 64.1:
    * O T HG2   MET   92 - HA    MET   92   2.84 +/- 0.54  86.828% * 99.5593% (1.00  10.0 10.00   2.49  64.15) =  99.990%  kept
          HG2   PRO   52 - HA    MET   92   5.20 +/- 1.86  13.040% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.010%
          QG    GLU- 114 - HA    MET   92  12.32 +/- 2.37   0.120% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    MET   92  13.56 +/- 0.71   0.011% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    MET   92  23.00 +/- 1.10   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    MET   92  31.21 +/- 1.11   0.000% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  30.91 +/- 3.04   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 64.1:
    * O T HG3   MET   92 - HA    MET   92   3.09 +/- 0.79  98.915% * 99.3565% (1.00  10.0 10.00   3.97  64.15) =  99.999%  kept
          QG    GLN   90 - HA    MET   92   8.09 +/- 0.57   0.888% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   92  11.82 +/- 1.31   0.088% *  0.1966% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   92  11.65 +/- 0.80   0.077% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   92  15.93 +/- 1.29   0.015% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    MET   92  17.15 +/- 1.23   0.007% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  17.40 +/- 1.38   0.007% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   92  23.60 +/- 0.92   0.001% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  23.96 +/- 2.11   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  27.50 +/- 0.90   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  23.48 +/- 1.99   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.05 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 = 1.29, residual support = 5.4:
          HB    VAL  108 - QB    LYS+ 106   4.23 +/- 0.12  98.445% * 79.4942% (0.92  1.00   1.29   5.40) =  99.977%  kept
        T HB2   GLN   30 - QB    LYS+ 106  15.33 +/- 1.12   0.048% * 13.3572% (1.00 10.00   0.02   0.02) =   0.008%
          HB    ILE  119 - QB    LYS+ 106  11.45 +/- 1.61   0.340% *  1.3357% (1.00  1.00   0.02   0.02) =   0.006%
          HB2   PRO   93 - QB    LYS+ 106  10.48 +/- 1.05   0.567% *  0.7562% (0.57  1.00   0.02   0.02) =   0.005%
          HB2   LYS+ 111 - QB    LYS+ 106  11.15 +/- 1.60   0.429% *  0.2974% (0.22  1.00   0.02   0.02) =   0.002%
          HB3   GLU- 100 - QB    LYS+ 106  15.24 +/- 0.54   0.046% *  1.3239% (0.99  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QB    LYS+ 106  15.84 +/- 1.57   0.045% *  1.1586% (0.87  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - QB    LYS+ 106  17.38 +/- 1.12   0.023% *  1.1586% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QB    LYS+ 106  17.89 +/- 2.25   0.026% *  0.6502% (0.49  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QB    LYS+ 106  18.58 +/- 1.38   0.016% *  0.2339% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QB    LYS+ 106  18.72 +/- 1.05   0.014% *  0.2339% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 10 structures by 0.89 A, kept.
 
    Peak 2229 (9.12, 3.71, 61.73 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 4.64, residual support = 27.4:
      O   HN    ASP-  76 - HA    VAL   75   2.19 +/- 0.02  99.922% * 99.8873% (0.76  10.0   4.64  27.37) = 100.000%  kept
          HN    HIS   22 - HA    VAL   75   7.49 +/- 0.69   0.077% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HA    VAL   75  17.36 +/- 1.17   0.000% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 84.5:
      O   HN    VAL   75 - HA    VAL   75   2.93 +/- 0.01  99.496% * 99.8946% (0.90  10.0   5.27  84.47) =  99.999%  kept
          HN    ASP-  78 - HA    VAL   75   7.10 +/- 0.23   0.504% *  0.1054% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2231 (4.88, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 0.75, residual support = 17.5:
          HA    PHE   45 - HB    VAL   75   3.57 +/- 1.31  99.423% * 89.9031% (0.45   0.75  17.54) =  99.967%  kept
          HA    VAL   41 - HB    VAL   75  10.98 +/- 0.42   0.560% *  5.1606% (0.97   0.02   0.02) =   0.032%
          HA    HIS  122 - HB    VAL   75  19.59 +/- 2.78   0.017% *  4.9363% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 5 structures by 0.53 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.0, residual support = 17.5:
          QD    PHE   45 - HB    VAL   75   3.95 +/- 0.83  99.953% * 98.4855% (0.87   2.00  17.54) = 100.000%  kept
          HD2   HIS  122 - HB    VAL   75  16.22 +/- 2.35   0.041% *  0.7800% (0.69   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB    VAL   75  21.61 +/- 1.70   0.006% *  0.7345% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 6 structures by 0.46 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.52, support = 0.02, residual support = 1.99:
        T HZ    PHE   72 - HB    VAL   75  14.13 +/- 1.08   2.760% * 97.5882% (0.80 10.00   0.02   0.02) =  53.457%  kept
          HZ2   TRP   27 - HB    VAL   75   7.55 +/- 0.95  97.240% *  2.4118% (0.20  1.00   0.02   4.25) =  46.543%  kept
    Distance limit 4.03 A violated in 20 structures by 3.48 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 = 84.5:
      O   HN    VAL   75 - HB    VAL   75   2.75 +/- 0.42  99.812% * 99.9348% (0.99  10.0   4.51  84.47) = 100.000%  kept
          HN    ASP-  78 - HB    VAL   75   8.26 +/- 0.23   0.188% *  0.0652% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.31, residual support = 17.5:
        T QE    PHE   45 - QG1   VAL   75   3.19 +/- 0.33  99.840% * 99.5846% (0.34 10.00   2.31  17.54) = 100.000%  kept
          QD    PHE   72 - QG1   VAL   75   9.90 +/- 0.59   0.138% *  0.1536% (0.53  1.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - QG1   VAL   75  13.56 +/- 0.96   0.022% *  0.2618% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.96, residual support = 17.5:
          QD    PHE   45 - QG1   VAL   75   2.91 +/- 0.56  99.988% * 99.5615% (1.00   2.96  17.54) = 100.000%  kept
          HD2   HIS  122 - QG1   VAL   75  14.84 +/- 1.95   0.010% *  0.2302% (0.34   0.02   0.02) =   0.000%
          HE22  GLN  116 - QG1   VAL   75  19.08 +/- 1.24   0.002% *  0.2083% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.899, support = 5.16, residual support = 81.6:
          HN    VAL   75 - QG1   VAL   75   3.53 +/- 0.24  91.913% * 71.2349% (0.90   5.27  84.47) =  96.569%  kept
          HN    ASP-  78 - QG1   VAL   75   5.34 +/- 0.19   8.087% * 28.7651% (0.95   2.02   0.02) =   3.431%  kept
    Distance limit 3.74 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 = 27.4:
          HN    ASP-  76 - QG1   VAL   75   2.96 +/- 0.23  99.732% * 99.1034% (0.41   4.97  27.37) =  99.999%  kept
          HN    HIS   22 - QG1   VAL   75   8.53 +/- 1.01   0.246% *  0.1920% (0.20   0.02   0.02) =   0.000%
          HN    VAL  108 - QG1   VAL   75  12.69 +/- 1.33   0.022% *  0.7046% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.749, residual support = 3.88:
          HB2   CYS   21 - QG2   VAL   75   5.41 +/- 1.90  90.156% * 98.7151% (0.76   0.75   3.88) =  99.933%  kept
          QE    LYS+  81 - QG2   VAL   75   9.47 +/- 0.82   9.421% *  0.6032% (0.18   0.02   0.02) =   0.064%
          QE    LYS+ 111 - QG2   VAL   75  16.21 +/- 1.65   0.423% *  0.6817% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.59 A violated in 10 structures by 1.83 A, kept.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.586, support = 0.884, residual support = 10.0:
          HZ3   TRP   27 - QG2   VAL   75   3.66 +/- 1.71  62.633% * 43.5695% (0.45   0.99   4.25) =  56.411%  kept
          HZ    PHE   45 - QG2   VAL   75   4.10 +/- 0.55  37.367% * 56.4305% (0.76   0.75  17.54) =  43.589%  kept
    Distance limit 3.30 A violated in 1 structures by 0.14 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 1.93, residual support = 17.5:
          QE    PHE   45 - QG2   VAL   75   3.28 +/- 0.79  99.238% * 98.6815% (0.97   1.93  17.54) =  99.992%  kept
          QD    PHE   72 - QG2   VAL   75   8.38 +/- 0.69   0.679% *  1.0549% (1.00   0.02   0.02) =   0.007%
          HZ    PHE   72 - QG2   VAL   75  11.90 +/- 1.14   0.083% *  0.2636% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.799, support = 1.4, residual support = 4.24:
          HE3   TRP   27 - QG2   VAL   75   3.46 +/- 1.44  88.411% * 93.4262% (0.80   1.41   4.25) =  99.794%  kept
          HN    THR   23 - QG2   VAL   75   5.90 +/- 0.90   7.475% *  1.5996% (0.97   0.02   0.02) =   0.144%
          QE    PHE   95 - QG2   VAL   75   8.23 +/- 1.20   2.675% *  1.6247% (0.98   0.02   0.02) =   0.053%
          HD2   HIS   22 - QG2   VAL   75   9.27 +/- 1.29   0.775% *  0.3280% (0.20   0.02   0.02) =   0.003%
          HD1   TRP   49 - QG2   VAL   75  12.21 +/- 1.75   0.475% *  0.5116% (0.31   0.02   0.02) =   0.003%
          QD    PHE   55 - QG2   VAL   75  14.07 +/- 0.99   0.104% *  1.4377% (0.87   0.02   0.02) =   0.002%
          HN    LEU   67 - QG2   VAL   75  14.16 +/- 0.58   0.085% *  1.0722% (0.65   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 5 structures by 0.59 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.13, residual support = 84.5:
          HN    VAL   75 - QG2   VAL   75   3.01 +/- 0.66  99.167% * 99.5908% (0.90   5.13  84.47) =  99.997%  kept
          HN    ASP-  78 - QG2   VAL   75   7.21 +/- 0.34   0.833% *  0.4092% (0.95   0.02   0.02) =   0.003%
    Distance limit 3.50 A violated in 0 structures by 0.03 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   5.75 +/- 0.57  99.050% * 48.3894% (0.61   0.02   0.02) =  98.988%  kept
          HN    VAL  108 - QG2   VAL   75  12.83 +/- 1.10   0.950% * 51.6106% (0.65   0.02   0.02) =   1.012%  kept
    Distance limit 3.92 A violated in 20 structures by 1.82 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   3.07 +/- 0.35  99.998% * 99.4520% (0.15  10.0   3.75  36.07) = 100.000%  kept
          HN    VAL  108 - HB3   ASP-  76  19.73 +/- 1.07   0.002% *  0.5480% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.05 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   2.37 +/- 0.24  99.511% * 99.6604% (0.41  10.0   3.71  36.07) = 100.000%  kept
          HN    HIS   22 - HB2   ASP-  76   8.23 +/- 1.48   0.459% *  0.0480% (0.20   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  10.31 +/- 1.78   0.025% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HB2   ASP-  76  19.69 +/- 1.09   0.000% *  0.1760% (0.73   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  17.47 +/- 2.90   0.002% *  0.0366% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  15.12 +/- 1.38   0.002% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  66  21.87 +/- 1.28   0.000% *  0.0207% (0.09   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  23.10 +/- 2.10   0.000% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  21.97 +/- 1.26   0.000% *  0.0100% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.559, residual support = 0.558:
          HN    LEU   80 - HA    THR   77   3.94 +/- 0.28  99.738% * 87.2537% (0.38   0.56   0.56) =  99.985%  kept
          HN    CYS   53 - HA    THR   77  12.51 +/- 1.30   0.132% *  5.0481% (0.61   0.02   0.02) =   0.008%
          HN    THR   26 - HA    THR   77  12.24 +/- 0.45   0.123% *  5.3841% (0.65   0.02   0.02) =   0.008%
          HN    ALA   34 - HA    THR   77  19.78 +/- 0.63   0.007% *  2.3141% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 1 structures by 0.40 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 = 4.6, residual support = 28.5:
      O   HN    ASP-  78 - HA    THR   77   3.51 +/- 0.04  98.858% * 99.8470% (0.65  10.0   4.60  28.51) =  99.998%  kept
          HN    VAL   75 - HA    THR   77   7.41 +/- 0.20   1.142% *  0.1530% (0.99   1.0   0.02   0.34) =   0.002%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2249 (9.29, 3.58, 65.17 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.03, residual support = 37.8:
      O   HN    THR   77 - HA    THR   77   2.78 +/- 0.04 100.000% *100.0000% (0.53  10.0   4.03  37.79) = 100.000%  kept
    Distance limit 3.46 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 = 8.55:
        T QD    PHE   45 - QG2   THR   77   2.83 +/- 0.72 100.000% *100.0000% (0.80 10.00   2.25   8.55) = 100.000%  kept
    Distance limit 3.14 A violated in 1 structures by 0.12 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 3.59, residual support = 12.0:
          HN    THR   46 - QG2   THR   77   3.15 +/- 0.59  74.049% * 98.1622% (0.87   3.60  11.98) =  99.845%  kept
          HN    MET   92 - QG2   THR   77   4.80 +/- 1.70  25.707% *  0.4324% (0.69   0.02   0.02) =   0.153%
          HN    LYS+  74 - QG2   THR   77   9.27 +/- 0.36   0.220% *  0.6171% (0.98   0.02   0.02) =   0.002%
          HN    LYS+ 112 - QG2   THR   77  14.44 +/- 1.90   0.023% *  0.3312% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   77  25.71 +/- 3.22   0.001% *  0.4571% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 1 structures by 0.14 A, kept.
 
    Peak 2252 (9.28, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.03, residual support = 37.8:
          HN    THR   77 - QG2   THR   77   2.07 +/- 0.22 100.000% *100.0000% (0.87   4.03  37.79) = 100.000%  kept
    Distance limit 3.04 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 = 8.75:
          HA    ALA   20 - HB2   LYS+  74   3.15 +/- 0.65  99.895% * 98.6222% (0.61   1.50   8.75) =  99.999%  kept
          HA    LEU   71 - HB2   LYS+  74  10.79 +/- 0.79   0.105% *  1.3778% (0.64   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.34, residual support = 8.75:
          HA    ALA   20 - HB3   LYS+  74   2.39 +/- 0.50  99.975% * 99.3758% (0.76   3.34   8.75) = 100.000%  kept
          HA    LEU   71 - HB3   LYS+  74  11.04 +/- 0.43   0.025% *  0.6242% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.2, residual support = 187.6:
      O   HA    LYS+  74 - HB3   LYS+  74   2.99 +/- 0.05  99.979% * 99.8966% (0.80  10.0   6.20 187.57) = 100.000%  kept
          HA    THR   94 - HB3   LYS+  74  13.42 +/- 0.68   0.013% *  0.0757% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   LYS+  74  14.83 +/- 1.25   0.008% *  0.0278% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.39 +/- 0.17  99.999% * 99.9221% (0.49  10.0 10.00   5.98 132.34) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  17.12 +/- 1.72   0.001% *  0.0779% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.423, support = 1.75, residual support = 1.7:
          HB3   MET   92 - HB3   PRO   93   5.27 +/- 0.46  43.651% * 75.1136% (0.41  1.00   1.82   1.77) =  96.456%  kept
          QG1   ILE   56 - HB3   PRO   93   5.55 +/- 2.18  51.337% *  1.8020% (0.90  1.00   0.02   0.02) =   2.721%  kept
        T HD2   LYS+ 111 - HB3   PRO   93  12.76 +/- 2.92   3.924% *  6.2015% (0.31 10.00   0.02   0.02) =   0.716%  kept
        T HB2   LEU   73 - HB3   PRO   93  13.49 +/- 1.56   0.240% * 11.3755% (0.57 10.00   0.02   0.02) =   0.080%
          QD    LYS+ 106 - HB3   PRO   93  11.95 +/- 1.07   0.296% *  1.5355% (0.76  1.00   0.02   0.02) =   0.013%
          HB    ILE   89 - HB3   PRO   93  10.69 +/- 0.93   0.527% *  0.7541% (0.38  1.00   0.02   0.02) =   0.012%
          QD    LYS+  99 - HB3   PRO   93  19.59 +/- 0.84   0.013% *  1.6089% (0.80  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HB3   PRO   93  20.09 +/- 0.90   0.012% *  1.6089% (0.80  1.00   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 8 structures by 0.87 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  99.937% * 99.4465% (0.80  10.0   6.01 132.34) = 100.000%  kept
          HG3   PRO   52 - HB3   PRO   93   7.19 +/- 1.60   0.048% *  0.0853% (0.69   1.0   0.02   0.52) =   0.000%
          HB    VAL  108 - HB3   PRO   93   9.85 +/- 1.78   0.006% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB3   PRO   93   9.48 +/- 0.95   0.005% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   PRO   93  10.52 +/- 1.26   0.003% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  13.15 +/- 1.49   0.001% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  22.84 +/- 2.56   0.000% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  18.30 +/- 1.44   0.000% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  30.71 +/- 3.73   0.000% *  0.0994% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  24.99 +/- 0.89   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2259 (5.06, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 5.13, residual support = 132.3:
      O   HA    PRO   93 - HB3   PRO   93   2.65 +/- 0.17 100.000% *100.0000% (0.92  10.0   5.13 132.34) = 100.000%  kept
    Distance limit 3.50 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   6.52 +/- 0.89 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 4.01 A violated in 20 structures by 2.51 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 0.0199, residual support = 0.568:
          QD1   ILE   19 - HG2   GLN   30   7.18 +/- 1.41  42.418% * 19.6388% (0.95   0.02   1.05) =  53.236%  kept
          QG1   VAL   43 - HG2   GLN   30   7.74 +/- 1.33  24.157% * 14.2607% (0.69   0.02   0.02) =  22.016%  kept
          QG1   VAL   41 - HG2   GLN   30   7.51 +/- 1.32  27.765% * 10.1053% (0.49   0.02   0.02) =  17.931%  kept
          QG2   VAL   18 - HG2   GLN   30  10.15 +/- 0.96   4.096% * 18.6188% (0.90   0.02   0.02) =   4.873%  kept
          QG2   THR   46 - HG2   GLN   30  12.18 +/- 0.91   1.227% * 20.0355% (0.97   0.02   0.02) =   1.571%  kept
          QD2   LEU  104 - HG2   GLN   30  15.19 +/- 1.68   0.337% * 17.3408% (0.84   0.02   0.02) =   0.374%
    Distance limit 3.73 A violated in 17 structures by 1.92 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 = 5.01:
        T QG2   THR   26 - HG2   GLN   30   2.98 +/- 0.62  99.772% * 87.3618% (0.61 10.00   0.75   5.01) =  99.999%  kept
        T HD3   LYS+  74 - HG2   GLN   30  12.46 +/- 0.71   0.033% *  2.1746% (0.57 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HG2   GLN   30   9.59 +/- 0.83   0.172% *  0.1310% (0.34  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG2   GLN   30  19.08 +/- 1.32   0.003% *  3.8324% (1.00 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HG2   GLN   30  22.02 +/- 2.79   0.002% *  2.7891% (0.73 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG2   GLN   30  22.58 +/- 2.74   0.001% *  2.9354% (0.76 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   GLN   30  16.56 +/- 1.79   0.012% *  0.2789% (0.73  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   GLN   30  17.49 +/- 1.94   0.004% *  0.2638% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG2   GLN   30  26.01 +/- 2.48   0.001% *  0.2330% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2265 (0.36, 1.19, 32.81 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 7.0, residual support = 231.1:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.66 +/- 0.25  99.973% * 99.8036% (0.95  10.0 10.00   7.00 231.10) = 100.000%  kept
          QB    ALA   47 - HB3   LYS+ 112  12.92 +/- 2.10   0.019% *  0.0946% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   LYS+ 112  13.67 +/- 1.29   0.007% *  0.1018% (0.97   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 2266 (3.47, 1.19, 32.81 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 6.26, residual support = 231.1:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.74 +/- 0.23  99.959% * 99.8561% (0.73  10.0 10.00   6.26 231.10) = 100.000%  kept
          HB    THR   46 - HB3   LYS+ 112  15.32 +/- 2.76   0.038% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB3   LYS+ 112  16.58 +/- 1.13   0.002% *  0.0617% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  28.52 +/- 2.49   0.000% *  0.0516% (0.38   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 2267 (8.49, 1.19, 32.81 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.69, residual support = 231.1:
      O   HN    LYS+ 112 - HB3   LYS+ 112   2.86 +/- 0.64  99.982% * 99.7523% (0.97  10.0   5.69 231.10) = 100.000%  kept
          HN    MET   92 - HB3   LYS+ 112  15.41 +/- 2.97   0.012% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HB3   LYS+ 112  16.59 +/- 2.29   0.005% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   LYS+ 112  20.82 +/- 1.83   0.001% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  36.12 +/- 4.26   0.000% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.71, residual support = 231.1:
      O   HN    LYS+ 112 - HB2   LYS+ 112   2.62 +/- 0.61  99.779% * 99.6310% (0.84  10.0   5.71 231.10) = 100.000%  kept
          HN    LYS+  74 - HB    VAL   42   8.70 +/- 0.58   0.214% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    VAL   42  18.62 +/- 1.28   0.001% *  0.0840% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB2   LYS+ 112  21.32 +/- 2.69   0.002% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  17.86 +/- 0.55   0.002% *  0.0343% (0.29   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   LYS+ 112  20.89 +/- 1.74   0.001% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  22.71 +/- 2.48   0.000% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  36.33 +/- 3.76   0.000% *  0.0772% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 5.94:
          HA    PHE   72 - HB    VAL   42   3.04 +/- 0.58  99.597% * 99.0423% (0.85   2.26   5.94) =  99.999%  kept
          HA    MET   96 - HB    VAL   42   8.35 +/- 0.43   0.392% *  0.1990% (0.19   0.02   0.02) =   0.001%
          HA    PHE   72 - HB2   LYS+ 112  18.66 +/- 1.39   0.003% *  0.6183% (0.60   0.02   0.02) =   0.000%
          HA    MET   96 - HB2   LYS+ 112  15.91 +/- 1.36   0.008% *  0.1404% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.53, residual support = 86.5:
      O   HN    VAL   42 - HB    VAL   42   2.44 +/- 0.12  94.454% * 85.1281% (0.80  10.0   5.55  87.33) =  99.020%  kept
          HN    LEU   73 - HB    VAL   42   4.34 +/- 0.60   5.449% * 14.6063% (0.80   1.0   3.43   1.55) =   0.980%  kept
          HN    ILE   19 - HB    VAL   42   8.24 +/- 0.96   0.082% *  0.0256% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    VAL   42  11.61 +/- 1.02   0.011% *  0.0597% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB2   LYS+ 112  14.62 +/- 1.03   0.003% *  0.0421% (0.40   1.0   0.02   0.02) =   0.000%
          HN    LEU   73 - HB2   LYS+ 112  18.87 +/- 1.43   0.001% *  0.0601% (0.57   1.0   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  20.33 +/- 1.50   0.000% *  0.0601% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  20.87 +/- 1.46   0.000% *  0.0181% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.623, support = 1.87, residual support = 6.28:
          QD    PHE   60 - HB    VAL   42   6.83 +/- 1.33  20.658% * 93.8967% (0.66   2.00   6.76) =  92.711%  kept
          QD    PHE   55 - HB2   LYS+ 112   5.00 +/- 1.52  74.712% *  2.0151% (0.12   0.23   0.23) =   7.196%  kept
          QD    PHE   60 - HB2   LYS+ 112  11.65 +/- 1.65   1.275% *  0.6626% (0.47   0.02   0.02) =   0.040%
          HE3   TRP   27 - HB    VAL   42   9.98 +/- 1.00   1.748% *  0.3064% (0.22   0.02   0.02) =   0.026%
          HN    LYS+  66 - HB    VAL   42  10.17 +/- 0.79   1.407% *  0.3416% (0.24   0.02   0.02) =   0.023%
          HN    LYS+  81 - HB    VAL   42  19.25 +/- 0.65   0.028% *  1.2178% (0.86   0.02   0.02) =   0.002%
          HN    LYS+  66 - HB2   LYS+ 112  16.62 +/- 1.51   0.094% *  0.2411% (0.17   0.02   0.02) =   0.001%
          QD    PHE   55 - HB    VAL   42  17.28 +/- 0.97   0.065% *  0.2431% (0.17   0.02   0.02) =   0.001%
          HN    LYS+  81 - HB2   LYS+ 112  26.01 +/- 2.73   0.005% *  0.8594% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LYS+ 112  23.32 +/- 1.73   0.009% *  0.2162% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 8 structures by 0.76 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.461, support = 0.952, residual support = 5.94:
        T QD    PHE   72 - HB    VAL   42   3.75 +/- 0.63  93.028% * 81.1137% (0.46 10.00   0.95   5.94) =  98.591%  kept
          HZ    PHE   72 - HB    VAL   42   6.25 +/- 0.80   6.231% * 17.2845% (0.78  1.00   1.19   5.94) =   1.407%  kept
          QE    PHE   45 - HB    VAL   42   9.01 +/- 0.51   0.666% *  0.1109% (0.30  1.00   0.02   0.02) =   0.001%
        T QD    PHE   72 - HB2   LYS+ 112  15.79 +/- 1.31   0.029% *  1.2069% (0.32 10.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - HB2   LYS+ 112  17.09 +/- 2.29   0.023% *  0.2057% (0.55  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - HB2   LYS+ 112  16.08 +/- 1.47   0.023% *  0.0782% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.17 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 +/- 0.20  99.978% * 99.2681% (0.14  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA1   GLY  101  10.71 +/- 1.16   0.022% *  0.7319% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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   2.90 +/- 0.07  99.958% * 99.7871% (0.38  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA2   GLY  101  10.98 +/- 1.19   0.042% *  0.2129% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 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   2.46 +/- 0.32  99.996% * 99.9813% (0.84  10.0   1.71   5.18) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  14.74 +/- 2.05   0.004% *  0.0187% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 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   2.76 +/- 0.20  99.999% * 99.8617% (0.85  10.0   2.38  12.32) = 100.000%  kept
          HN    ASN   35 - HA    ALA   12  19.35 +/- 2.51   0.001% *  0.0618% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ALA   12  26.68 +/- 2.20   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  31.13 +/- 2.78   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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   2.70 +/- 0.31  99.993% * 99.7294% (0.46  10.0   2.30  12.32) = 100.000%  kept
          HN    ASN   35 - QB    ALA   12  15.64 +/- 2.55   0.005% *  0.1891% (0.87   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    ALA   12  19.76 +/- 2.83   0.001% *  0.0359% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    ALA   12  21.49 +/- 2.49   0.001% *  0.0456% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2278 (8.39, 4.29, 56.56 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 3.51, residual support = 12.2:
      O   HN    ALA   12 - HA    MET   11   2.51 +/- 0.13  99.856% * 99.5700% (0.65  10.0   3.51  12.20) = 100.000%  kept
          HN    ALA   12 - HA    GLU-  14   8.01 +/- 0.79   0.142% *  0.0391% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    MET   11  19.98 +/- 3.75   0.001% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    GLU-  14  18.50 +/- 2.94   0.001% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  23.07 +/- 2.01   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  28.59 +/- 2.72   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  26.38 +/- 1.76   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  33.63 +/- 3.45   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2279 (8.38, 1.92, 30.22 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.57, residual support = 12.2:
          HN    ALA   12 - HG3   MET   11   3.88 +/- 0.24  98.136% * 98.7265% (0.97   3.57  12.20) =  99.996%  kept
          HN    ALA   12 - HB3   GLU-  14   8.29 +/- 1.18   1.828% *  0.1962% (0.34   0.02   0.02) =   0.004%
          HN    ASN   35 - HG3   MET   11  20.89 +/- 3.42   0.008% *  0.3242% (0.57   0.02   0.02) =   0.000%
          HN    ASN   35 - HB3   GLU-  14  17.65 +/- 2.95   0.022% *  0.1151% (0.20   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   GLU-  14  22.20 +/- 2.00   0.004% *  0.0836% (0.15   0.02   0.02) =   0.000%
          HN    PHE   97 - HG3   MET   11  29.09 +/- 3.15   0.001% *  0.2354% (0.41   0.02   0.02) =   0.000%
          HN    LEU  115 - HB3   GLU-  14  25.86 +/- 1.49   0.001% *  0.0836% (0.15   0.02   0.02) =   0.000%
          HN    LEU  115 - HG3   MET   11  33.73 +/- 3.59   0.000% *  0.2354% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 6.66:
      O   HN    GLU-  14 - HA    SER   13   2.47 +/- 0.26  99.974% * 99.1146% (0.92  10.0   2.10   6.66) = 100.000%  kept
          HN    GLN   30 - HA    SER   37  13.22 +/- 0.33   0.005% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    SER   37  15.83 +/- 3.25   0.004% *  0.0530% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   37  13.88 +/- 0.69   0.004% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   13  16.43 +/- 2.59   0.002% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   46  14.58 +/- 1.24   0.003% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  17.96 +/- 0.84   0.001% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  18.23 +/- 3.10   0.001% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  15.22 +/- 0.36   0.002% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  18.42 +/- 2.01   0.001% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   13  18.13 +/- 2.65   0.001% *  0.0331% (0.31   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  21.89 +/- 2.55   0.000% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  20.08 +/- 1.02   0.000% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  22.50 +/- 1.81   0.000% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  18.95 +/- 0.81   0.001% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  24.33 +/- 2.90   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  25.99 +/- 1.41   0.000% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  29.72 +/- 2.06   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 0.65, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    SER   13  12.32 +/- 1.11  19.887% * 21.8157% (0.99   0.02   0.02) =  37.556%  kept
          HN    LEU   73 - HA    THR   46  11.38 +/- 0.74  29.084% *  7.5418% (0.34   0.02   0.02) =  18.988%  kept
          HN    ILE   19 - HA    THR   46  12.81 +/- 1.03  14.794% * 13.2032% (0.60   0.02   0.02) =  16.910%  kept
          HN    VAL   42 - HA    SER   37  12.70 +/- 0.33  14.790% *  6.6588% (0.30   0.02   0.02) =   8.525%  kept
          HN    LEU   73 - HA    SER   13  16.04 +/- 1.53   4.248% * 12.4613% (0.57   0.02   0.02) =   4.582%  kept
          HN    VAL   42 - HA    THR   46  14.61 +/- 0.33   6.341% *  7.5418% (0.34   0.02   0.02) =   4.140%  kept
          HN    VAL   42 - HA    SER   13  17.40 +/- 2.23   3.347% * 12.4613% (0.57   0.02   0.02) =   3.611%  kept
          HN    ILE   19 - HA    SER   37  16.59 +/- 0.82   3.140% * 11.6574% (0.53   0.02   0.02) =   3.169%  kept
          HN    LEU   73 - HA    SER   37  15.65 +/- 0.60   4.368% *  6.6588% (0.30   0.02   0.02) =   2.518%  kept
    Distance limit 3.32 A violated in 20 structures by 5.87 A, eliminated.
    Peak unassigned.
 
    Peak 2282 (7.91, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 3.42, residual support = 26.8:
      O   HN    SER   37 - HB3   SER   37   2.62 +/- 0.41  99.739% * 99.5355% (0.83  10.0   3.42  26.83) = 100.000%  kept
          HN    SER   37 - QB    SER   13  15.23 +/- 4.01   0.247% *  0.0762% (0.63   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    SER   13  14.41 +/- 1.87   0.010% *  0.0288% (0.24   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB3   SER   37  15.96 +/- 0.83   0.003% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  21.97 +/- 2.40   0.000% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  23.34 +/- 2.07   0.000% *  0.0642% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  25.17 +/- 1.13   0.000% *  0.0984% (0.82   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  27.87 +/- 1.95   0.000% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2283 (4.34, 1.92, 30.50 ppm):
    8 chemical-shift based assignments, quality = 0.659, support = 0.02, residual support = 0.02:
          HA    PHE   59 - HB3   GLU-  14  19.02 +/- 1.43  60.532% * 22.8936% (0.69   0.02   0.02) =  74.081%  kept
          HA    TRP   87 - HB3   GLU-  14  28.56 +/- 2.04   5.845% * 33.2545% (1.00   0.02   0.02) =  10.391%  kept
          HA    LEU  104 - HB3   GLU-  14  25.95 +/- 2.42  11.370% * 12.5086% (0.38   0.02   0.02) =   7.603%  kept
          HA    PHE   59 - HG3   MET   11  27.04 +/- 3.65   9.884% *  8.1279% (0.24   0.02   0.02) =   4.295%  kept
          HA    ASP- 113 - HB3   GLU-  14  28.20 +/- 2.06   5.939% *  5.1424% (0.15   0.02   0.02) =   1.633%  kept
          HA    TRP   87 - HG3   MET   11  35.11 +/- 3.77   1.706% * 11.8063% (0.35   0.02   0.02) =   1.077%  kept
          HA    LEU  104 - HG3   MET   11  31.87 +/- 3.61   3.286% *  4.4409% (0.13   0.02   0.02) =   0.780%  kept
          HA    ASP- 113 - HG3   MET   11  36.05 +/- 3.70   1.437% *  1.8257% (0.05   0.02   0.02) =   0.140%
    Distance limit 3.52 A violated in 20 structures by 13.95 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.88, residual support = 48.1:
      O   HN    GLU-  14 - HB3   GLU-  14   3.26 +/- 0.24  99.471% * 99.5831% (0.92  10.0   3.88  48.15) = 100.000%  kept
          HN    GLU-  14 - HG3   MET   11   9.01 +/- 1.54   0.505% *  0.0354% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HB3   GLU-  14  15.32 +/- 2.03   0.013% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  14  19.88 +/- 2.89   0.003% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  14  22.70 +/- 2.80   0.002% *  0.1079% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  19.95 +/- 3.47   0.004% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  25.82 +/- 3.96   0.001% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  28.07 +/- 3.71   0.000% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  27.47 +/- 1.89   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  33.72 +/- 3.90   0.000% *  0.0106% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2286 (8.34, 2.08, 30.50 ppm):
    12 chemical-shift based assignments, quality = 0.487, support = 3.88, residual support = 48.1:
      O   HN    GLU-  14 - HB2   GLU-  14   3.20 +/- 0.50  99.504% * 99.3938% (0.49  10.0   3.88  48.15) = 100.000%  kept
          HN    GLU-  14 - HG2   MET   11   9.01 +/- 1.46   0.473% *  0.0372% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   GLU-  14  18.13 +/- 2.82   0.008% *  0.0839% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  14  20.47 +/- 3.18   0.005% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  14  23.29 +/- 2.85   0.002% *  0.1483% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  21.24 +/- 3.72   0.004% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  28.21 +/- 4.01   0.001% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  25.66 +/- 3.98   0.001% *  0.0495% (0.24   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ARG+  54  21.89 +/- 1.63   0.002% *  0.0194% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  27.21 +/- 0.84   0.000% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  26.09 +/- 2.41   0.001% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  30.79 +/- 1.20   0.000% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.07, residual support = 6.03:
      O   HN    GLY   16 - HA    GLU-  15   2.63 +/- 0.27  99.987% * 99.5949% (0.97  10.0   2.07   6.03) = 100.000%  kept
          HN    GLY   16 - HA    LEU   40  14.38 +/- 2.06   0.009% *  0.0805% (0.78   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    LEU   40  18.33 +/- 2.16   0.001% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    ASN   35  17.71 +/- 2.13   0.002% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  22.92 +/- 1.74   0.000% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  22.22 +/- 0.84   0.000% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  24.71 +/- 1.70   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  22.81 +/- 0.96   0.000% *  0.0131% (0.13   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  25.81 +/- 2.09   0.000% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2290 (8.81, 4.13, 56.27 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.01, residual support = 104.9:
      O   HN    ASN   28 - HA    ASN   28   2.76 +/- 0.05  99.999% * 99.8927% (0.84  10.0   6.01 104.88) = 100.000%  kept
          HN    ASN   69 - HA    ASN   28  19.34 +/- 1.07   0.001% *  0.1073% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2291 (1.36, 4.13, 56.27 ppm):
    16 chemical-shift based assignments, quality = 0.375, support = 2.55, residual support = 16.8:
        T HB2   LEU   31 - HA    ASN   28   3.29 +/- 0.44  98.512% * 93.5437% (0.38 10.00   2.55  16.75) =  99.997%  kept
        T QB    ALA   84 - HA    ASN   28  12.45 +/- 0.85   0.045% *  2.4869% (1.00 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    ASN   28   8.57 +/- 1.01   0.528% *  0.0935% (0.38  1.00   0.02   0.62) =   0.001%
          HG3   LYS+  33 - HA    ASN   28   8.93 +/- 1.65   0.517% *  0.0621% (0.25  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ASN   28  10.88 +/- 1.21   0.126% *  0.2405% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASN   28  10.04 +/- 0.75   0.176% *  0.1311% (0.53  1.00   0.02   1.46) =   0.000%
          HB    VAL   42 - HA    ASN   28  12.52 +/- 0.64   0.042% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ASN   28  14.81 +/- 1.02   0.017% *  0.1905% (0.76  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ASN   28  24.08 +/- 4.12   0.001% *  2.2353% (0.90 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ASN   28  14.70 +/- 2.20   0.022% *  0.1025% (0.41  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASN   28  17.33 +/- 1.34   0.007% *  0.1512% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ASN   28  19.75 +/- 1.09   0.003% *  0.2492% (1.00  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASN   28  19.71 +/- 1.66   0.003% *  0.1612% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ASN   28  22.94 +/- 1.37   0.001% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASN   28  28.06 +/- 1.86   0.000% *  0.1213% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASN   28  28.01 +/- 2.47   0.000% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 3.0, residual support = 16.7:
          HG    LEU   31 - HA    ASN   28   3.27 +/- 1.04  97.623% * 97.1720% (0.61   3.00  16.75) =  99.980%  kept
          QD2   LEU   73 - HA    ASN   28   7.58 +/- 1.07   2.365% *  0.8162% (0.76   0.02   0.62) =   0.020%
          QD1   ILE   56 - HA    ASN   28  19.93 +/- 1.58   0.005% *  1.0308% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    ASN   28  23.98 +/- 2.89   0.002% *  0.8162% (0.76   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    ASN   28  22.66 +/- 3.35   0.003% *  0.1648% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2293 (8.65, 3.96, 45.84 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.6, residual support = 5.2:
      O   HN    GLY   16 - HA2   GLY   16   2.83 +/- 0.19  99.999% * 99.8461% (0.97  10.0   2.60   5.20) = 100.000%  kept
          HN    SER  117 - HA2   GLY   16  20.91 +/- 1.55   0.001% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY   16  27.23 +/- 1.26   0.000% *  0.0711% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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   3.45 +/- 0.04  99.703% * 99.5709% (0.65  10.0   3.26  16.48) = 100.000%  kept
          HD21  ASN   69 - HA2   GLY   16  12.03 +/- 2.53   0.163% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA2   GLY   16  11.31 +/- 1.36   0.128% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  18.91 +/- 0.82   0.004% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA2   GLY   16  25.83 +/- 1.86   0.001% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA2   GLY   16  27.03 +/- 1.21   0.000% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  26.96 +/- 1.41   0.000% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 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   3.24 +/- 0.05  99.629% * 99.5709% (0.65  10.0   3.26  16.48) = 100.000%  kept
          HD21  ASN   69 - HA1   GLY   16  10.96 +/- 2.53   0.244% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA1   GLY   16  10.73 +/- 1.37   0.122% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  18.23 +/- 0.87   0.003% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA1   GLY   16  24.68 +/- 2.00   0.001% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA1   GLY   16  26.01 +/- 1.30   0.000% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  26.12 +/- 1.33   0.000% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2296 (8.64, 4.04, 45.84 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.6, residual support = 5.2:
      O   HN    GLY   16 - HA1   GLY   16   2.35 +/- 0.17  99.999% * 99.6694% (0.57  10.0   2.60   5.20) = 100.000%  kept
          HN    SER  117 - HA1   GLY   16  19.95 +/- 1.81   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA1   GLY   16  26.49 +/- 1.27   0.000% *  0.1757% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  23.00 +/- 1.95   0.000% *  0.0348% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  26.67 +/- 1.53   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 84.3:
      O T HB3   GLN   17 - QG    GLN   17   2.34 +/- 0.12  95.978% * 99.0943% (0.58  10.0 10.00   4.31  84.28) =  99.998%  kept
          QB    LYS+  65 - QG    GLN   17   6.13 +/- 1.59   1.548% *  0.1251% (0.74   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HB    VAL   70   6.60 +/- 1.18   2.130% *  0.0109% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB    VAL   70   6.53 +/- 0.20   0.216% *  0.0260% (0.15   1.0  1.00   0.02  32.99) =   0.000%
          QB    LYS+  66 - QG    GLN   17   9.43 +/- 1.20   0.036% *  0.0533% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HB    VAL   70  11.60 +/- 1.24   0.009% *  0.2030% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    GLN   17  11.33 +/- 1.47   0.012% *  0.1271% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB    VAL   70   8.87 +/- 0.63   0.035% *  0.0256% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   9.90 +/- 0.41   0.018% *  0.0066% (0.04   1.0  1.00   0.02   2.70) =   0.000%
          HG2   PRO   93 - QG    GLN   17  17.65 +/- 2.03   0.001% *  0.0891% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QG    GLN   17  15.48 +/- 1.49   0.002% *  0.0323% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB    VAL   70  11.19 +/- 1.27   0.011% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  14.65 +/- 1.06   0.002% *  0.0238% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG    GLN   17  20.56 +/- 1.40   0.000% *  0.1163% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  18.90 +/- 1.92   0.001% *  0.0182% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  19.37 +/- 1.68   0.000% *  0.0200% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  14.72 +/- 0.85   0.002% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  20.24 +/- 1.54   0.000% *  0.0200% (0.12   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 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.491, support = 5.49, residual support = 83.7:
          HN    GLN   17 - QG    GLN   17   2.78 +/- 0.63  91.715% * 88.7285% (0.49   5.50  84.28) =  99.085%  kept
          HD21  ASN   69 - HB    VAL   70   5.42 +/- 1.23   7.840% *  9.5767% (0.07   4.18  26.13) =   0.914%  kept
          HN    ALA   61 - QG    GLN   17   8.93 +/- 0.93   0.220% *  0.2426% (0.37   0.02   0.02) =   0.001%
          HN    GLN   17 - HB    VAL   70   9.34 +/- 1.17   0.152% *  0.0661% (0.10   0.02   0.02) =   0.000%
          HD21  ASN   69 - QG    GLN   17  13.23 +/- 1.64   0.018% *  0.2235% (0.34   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    VAL   70  11.10 +/- 0.79   0.040% *  0.0497% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - QG    GLN   17  14.64 +/- 1.08   0.005% *  0.0769% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG    GLN   17  21.94 +/- 1.55   0.001% *  0.3992% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    VAL   70  18.75 +/- 1.62   0.002% *  0.0818% (0.13   0.02   0.02) =   0.000%
          HN    ALA   91 - QG    GLN   17  21.79 +/- 1.54   0.001% *  0.2049% (0.31   0.02   0.02) =   0.000%
          HN    TRP   87 - QG    GLN   17  22.34 +/- 1.26   0.000% *  0.2426% (0.37   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  16.82 +/- 0.95   0.004% *  0.0158% (0.02   0.02   0.02) =   0.000%
          HN    TRP   87 - HB    VAL   70  21.32 +/- 1.00   0.001% *  0.0497% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  22.82 +/- 1.75   0.001% *  0.0420% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.70 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   3.67 +/- 0.24  98.854% * 99.7451% (0.76   5.81  50.10) =  99.999%  kept
          HN    SER   13 - QG    GLN   17   9.07 +/- 1.55   0.847% *  0.0766% (0.17   0.02   0.02) =   0.001%
          HN    VAL   18 - HB    VAL   70  10.31 +/- 1.00   0.260% *  0.0703% (0.16   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG    GLN   17  16.36 +/- 1.34   0.016% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  16.90 +/- 1.66   0.014% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB    VAL   70  17.78 +/- 0.93   0.009% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2300 (7.70, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.17, residual support = 84.3:
      O   HN    GLN   17 - HB3   GLN   17   3.25 +/- 0.32  99.569% * 99.5709% (0.65  10.0   5.17  84.28) = 100.000%  kept
          HN    ALA   61 - HB3   GLN   17   9.33 +/- 1.38   0.405% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HB3   GLN   17  14.94 +/- 1.73   0.018% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   GLN   17  16.52 +/- 1.01   0.006% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   GLN   17  24.40 +/- 1.52   0.001% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  23.99 +/- 1.71   0.001% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   GLN   17  24.82 +/- 0.94   0.001% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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   3.55 +/- 0.45  99.783% * 99.8372% (1.00   5.47  50.10) = 100.000%  kept
          HN    SER   13 - HB3   GLN   17  10.68 +/- 1.36   0.211% *  0.0814% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   GLN   17  18.57 +/- 1.17   0.006% *  0.0814% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2302 (1.80, 4.42, 54.38 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 84.3:
      O T HB3   GLN   17 - HA    GLN   17   2.65 +/- 0.29  95.972% * 99.4149% (0.76  10.0 10.00   4.00  84.28) =  99.995%  kept
          QB    LYS+  65 - HA    GLN   17   5.28 +/- 1.09   3.869% *  0.1255% (0.97   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+  66 - HA    GLN   17   8.47 +/- 1.08   0.132% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    GLN   17  11.42 +/- 1.32   0.021% *  0.1275% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  17.85 +/- 2.11   0.002% *  0.0894% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    GLN   17  15.79 +/- 1.32   0.003% *  0.0324% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    GLN   17  21.43 +/- 1.40   0.000% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  19.79 +/- 1.87   0.001% *  0.0201% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  20.77 +/- 1.62   0.000% *  0.0201% (0.15   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 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.185, support = 4.0, residual support = 84.3:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  99.701% * 94.0226% (0.18  10.0 10.00   4.00  84.28) =  99.999%  kept
        T HB3   GLN   17 - QB    GLU-  15   6.42 +/- 0.70   0.071% *  1.0553% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB3   PRO   68   6.48 +/- 1.28   0.119% *  0.1269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HB3   PRO   68  12.25 +/- 2.76   0.003% *  2.3590% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   GLN   17   6.89 +/- 1.36   0.051% *  0.1187% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   PRO   68   8.58 +/- 1.41   0.015% *  0.2979% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QB    GLU-  15   8.33 +/- 1.27   0.019% *  0.1333% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QB    GLU-  15   9.94 +/- 2.18   0.011% *  0.1354% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB3   PRO   68  11.56 +/- 0.90   0.001% *  0.3026% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  10.04 +/- 1.10   0.004% *  0.0568% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  10.53 +/- 1.19   0.003% *  0.0506% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   GLN   17  12.56 +/- 1.00   0.001% *  0.1206% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  14.61 +/- 2.33   0.001% *  0.0344% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  19.02 +/- 1.93   0.000% *  0.2768% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  15.48 +/- 1.19   0.000% *  0.0770% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  15.76 +/- 1.94   0.000% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  18.20 +/- 2.53   0.000% *  0.0845% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  19.48 +/- 2.29   0.000% *  0.1238% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  23.34 +/- 2.73   0.000% *  0.2120% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  16.90 +/- 1.13   0.000% *  0.0307% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  21.41 +/- 1.64   0.000% *  0.0949% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  17.70 +/- 2.40   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  22.65 +/- 1.21   0.000% *  0.1103% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  20.41 +/- 1.76   0.000% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  20.17 +/- 2.06   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  21.49 +/- 1.62   0.000% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  21.91 +/- 1.58   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 = 36.5:
      O   HA    PRO   68 - HB3   PRO   68   2.45 +/- 0.21  99.575% * 99.9155% (0.19  10.0   2.96  36.54) = 100.000%  kept
          HA    PRO   68 - QB    GLU-  15   7.76 +/- 2.37   0.401% *  0.0447% (0.08   1.0   0.02   0.02) =   0.000%
          HA    PRO   68 - HB2   GLN   17  11.50 +/- 2.52   0.024% *  0.0398% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.49 +/- 0.42  99.139% * 97.9598% (0.24   5.47  50.10) =  99.998%  kept
          HN    VAL   18 - QB    GLU-  15   7.99 +/- 0.73   0.164% *  0.4019% (0.27   0.02   0.02) =   0.001%
          HN    SER   13 - QB    GLU-  15   6.70 +/- 0.79   0.544% *  0.0897% (0.06   0.02   0.02) =   0.001%
          HN    VAL   18 - HB3   PRO   68  12.50 +/- 2.01   0.047% *  0.8983% (0.61   0.02   0.02) =   0.000%
          HN    SER   13 - HB2   GLN   17  11.36 +/- 1.62   0.084% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    SER   13 - HB3   PRO   68  16.17 +/- 3.91   0.016% *  0.2004% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  15  15.73 +/- 1.87   0.003% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   GLN   17  18.03 +/- 0.76   0.001% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   PRO   68  22.09 +/- 1.58   0.000% *  0.2004% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.01 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   2.56 +/- 0.08  99.999% * 99.9233% (0.84  10.0   5.47  50.10) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  18.43 +/- 0.84   0.001% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  24.54 +/- 1.04   0.000% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.65 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 = 2.43:
        T QB    ALA   64 - HA    GLN   17   3.14 +/- 0.77  99.279% * 97.4046% (0.69 10.00   1.22   2.43) =  99.992%  kept
        T QG1   VAL   42 - HA    GLN   17   8.22 +/- 0.87   0.703% *  1.1350% (0.49 10.00   0.02   0.02) =   0.008%
        T QB    ALA   47 - HA    GLN   17  16.03 +/- 1.36   0.011% *  1.4143% (0.61 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    GLN   17  18.28 +/- 2.32   0.006% *  0.0461% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 3 structures by 0.38 A, kept.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.99, residual support = 76.5:
      O   HN    VAL   18 - HB    VAL   18   2.56 +/- 0.40  99.996% * 99.9233% (0.84  10.0   4.99  76.52) = 100.000%  kept
          HN    GLU-  29 - HB    VAL   18  16.00 +/- 1.07   0.003% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  20.44 +/- 1.06   0.001% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 1.5, residual support = 5.16:
        T HB2   PHE   72 - HA    VAL   18   2.94 +/- 0.66  95.975% * 99.1293% (0.49 10.00   1.50   5.16) =  99.989%  kept
          HA    ALA   64 - HA    VAL   18   5.88 +/- 1.11   4.023% *  0.2662% (0.98  1.00   0.02   8.53) =   0.011%
        T HB3   ASN   35 - HA    VAL   18  18.46 +/- 1.07   0.002% *  0.6045% (0.22 10.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.52, residual support = 20.6:
      O   HN    ILE   19 - HA    VAL   18   2.24 +/- 0.04  99.092% * 99.7159% (0.73  10.0   4.52  20.61) =  99.999%  kept
          HN    LEU   73 - HA    VAL   18   5.28 +/- 0.78   0.875% *  0.1268% (0.92   1.0   0.02   0.02) =   0.001%
          HN    VAL   42 - HA    VAL   18   8.76 +/- 0.77   0.032% *  0.1268% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   18  17.76 +/- 1.36   0.001% *  0.0306% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 0.472, support = 0.0199, residual support = 1.15:
          HG    LEU   73 - QG1   VAL   18   5.82 +/- 1.10  27.831% *  8.7275% (0.61   0.02   0.02) =  55.052%  kept
          QB    ALA   61 - QG1   VAL   18   4.70 +/- 0.99  66.325% *  2.2202% (0.15   0.02   3.40) =  33.375%  kept
          HG    LEU   67 - QG1   VAL   18   9.28 +/- 1.18   1.243% * 14.3572% (1.00   0.02   0.02) =   4.044%  kept
          QG    LYS+  66 - QG1   VAL   18   9.93 +/- 1.28   1.402% *  5.9156% (0.41   0.02   0.02) =   1.879%  kept
          HG    LEU   40 - QG1   VAL   18  10.62 +/- 1.10   0.555% * 14.2618% (0.99   0.02   0.02) =   1.795%  kept
          HB3   LEU   67 - QG1   VAL   18   9.15 +/- 1.05   1.465% *  3.5880% (0.25   0.02   0.02) =   1.191%  kept
          HB3   LEU  115 - QG1   VAL   18  11.38 +/- 1.15   0.335% * 14.2618% (0.99   0.02   0.02) =   1.082%  kept
          HG    LEU  115 - QG1   VAL   18  11.71 +/- 1.30   0.276% *  9.8840% (0.69   0.02   0.02) =   0.619%  kept
          HB3   LEU   40 - QG1   VAL   18  11.28 +/- 1.08   0.403% *  6.4511% (0.45   0.02   0.02) =   0.590%  kept
          QB    ALA  120 - QG1   VAL   18  12.96 +/- 1.13   0.143% *  9.8840% (0.69   0.02   0.02) =   0.321%
          HG2   LYS+ 102 - QG1   VAL   18  17.91 +/- 1.42   0.022% * 10.4487% (0.73   0.02   0.02) =   0.052%
    Distance limit 2.87 A violated in 17 structures by 1.33 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 = 9.33:
        T QB    ALA   34 - QG1   VAL   41   2.16 +/- 0.36  99.739% * 97.8928% (0.49 10.00   2.96   9.33) = 100.000%  kept
        T QB    ALA   34 - QG2   VAL   18  10.82 +/- 0.67   0.010% *  0.7481% (0.37 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QG2   VAL   18   8.60 +/- 1.26   0.065% *  0.0474% (0.24  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG1   VAL   41   7.85 +/- 0.89   0.075% *  0.0352% (0.18  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG2   VAL   18  10.56 +/- 1.03   0.017% *  0.1284% (0.64  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG2   VAL   18   9.69 +/- 0.96   0.019% *  0.0932% (0.46  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QG1   VAL   41  14.14 +/- 1.15   0.002% *  0.6207% (0.31 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   VAL   41  11.77 +/- 0.83   0.006% *  0.1680% (0.84  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG1   VAL   41  12.28 +/- 0.66   0.004% *  0.1220% (0.61  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD2   LEU  104   8.33 +/- 0.96   0.041% *  0.0053% (0.03  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG1   VAL   41  13.75 +/- 1.16   0.003% *  0.0501% (0.25  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   18  16.03 +/- 1.11   0.001% *  0.0383% (0.19  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104  10.70 +/- 1.41   0.010% *  0.0019% (0.01  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  14.60 +/- 1.07   0.002% *  0.0066% (0.03  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   VAL   18  18.71 +/- 0.82   0.000% *  0.0269% (0.13  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  13.57 +/- 1.96   0.003% *  0.0027% (0.01  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  14.41 +/- 1.02   0.002% *  0.0033% (0.02  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD2   LEU  104  17.26 +/- 0.99   0.001% *  0.0090% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.835, support = 3.93, residual support = 74.5:
      O T HB    VAL   41 - QG1   VAL   41   2.13 +/- 0.01  90.549% * 94.4703% (0.84  10.0 10.00   3.94  74.50) =  99.942%  kept
          HB3   GLN   17 - QG2   VAL   18   4.93 +/- 0.75   1.321% *  3.5609% (0.15   1.0  1.00   4.16  50.10) =   0.055%
          HB2   LEU   71 - QG1   VAL   41   4.20 +/- 0.55   2.083% *  0.0777% (0.69   1.0  1.00   0.02   4.48) =   0.002%
          QB    LYS+ 102 - QD2   LEU  104   3.76 +/- 0.74   5.140% *  0.0051% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG2   VAL   18   6.44 +/- 1.60   0.304% *  0.0628% (0.55   1.0  1.00   0.02   0.10) =   0.000%
          QB    LYS+ 102 - QG1   VAL   41   6.96 +/- 1.04   0.128% *  0.0945% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG1   VAL   41   7.09 +/- 0.86   0.088% *  0.0777% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD2   LEU  104   7.41 +/- 1.00   0.075% *  0.0507% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   18   8.59 +/- 1.49   0.033% *  0.0834% (0.74   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG2   VAL   18  12.00 +/- 0.84   0.003% *  0.7220% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  104   6.02 +/- 0.85   0.233% *  0.0042% (0.04   1.0  1.00   0.02  36.05) =   0.000%
          HB2   LEU   71 - QG2   VAL   18   9.33 +/- 0.60   0.014% *  0.0594% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   18  11.63 +/- 1.60   0.006% *  0.0847% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG1   VAL   41  12.71 +/- 1.02   0.003% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG1   VAL   41  14.04 +/- 0.40   0.001% *  0.0821% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  14.24 +/- 1.72   0.001% *  0.0355% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  15.39 +/- 1.33   0.001% *  0.0594% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  16.20 +/- 3.51   0.001% *  0.0465% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  14.32 +/- 0.96   0.001% *  0.0355% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  17.29 +/- 0.83   0.000% *  0.1109% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  10.59 +/- 0.87   0.007% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  16.82 +/- 0.81   0.000% *  0.0722% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  14.70 +/- 1.18   0.001% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  13.71 +/- 1.46   0.002% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  20.64 +/- 0.90   0.000% *  0.0465% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  14.56 +/- 3.27   0.002% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  16.44 +/- 1.08   0.000% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  17.96 +/- 0.82   0.000% *  0.0060% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  20.92 +/- 1.07   0.000% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  19.74 +/- 1.20   0.000% *  0.0012% (0.01   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 2314 (1.49, 0.75, 22.78 ppm):
    24 chemical-shift based assignments, quality = 0.641, support = 1.89, residual support = 9.39:
          HB3   LEU   40 - QG1   VAL   41   5.34 +/- 0.31   3.717% * 83.8352% (0.46   3.81  19.76) =  46.853%  kept
          HG2   LYS+  65 - QG2   VAL   18   6.29 +/- 2.90  35.826% *  8.3207% (0.76   0.23   0.10) =  44.814%  kept
          HB2   LYS+  74 - QG2   VAL   18   4.12 +/- 1.84  57.861% *  0.9420% (0.99   0.02   0.99) =   8.194%  kept
          QG2   THR   26 - QG2   VAL   18   8.19 +/- 1.17   0.591% *  0.7939% (0.84   0.02   0.02) =   0.071%
          QG2   THR   26 - QG1   VAL   41   8.47 +/- 1.00   0.331% *  0.6067% (0.64   0.02   0.02) =   0.030%
          HB3   LEU   40 - QD2   LEU  104   7.36 +/- 1.08   0.742% *  0.0886% (0.09   0.02   0.02) =   0.010%
          HD2   LYS+ 121 - QD2   LEU  104  10.06 +/- 3.43   0.508% *  0.1003% (0.11   0.02   0.02) =   0.008%
          QD    LYS+  66 - QG2   VAL   18   9.88 +/- 1.65   0.167% *  0.2934% (0.31   0.02   0.02) =   0.007%
          HB2   LYS+  74 - QG1   VAL   41  11.87 +/- 0.85   0.028% *  0.7199% (0.76   0.02   0.02) =   0.003%
          HG    LEU  115 - QG2   VAL   18  11.82 +/- 1.41   0.040% *  0.3567% (0.38   0.02   0.02) =   0.002%
          HB3   LEU   40 - QG2   VAL   18  12.38 +/- 0.81   0.025% *  0.5765% (0.61   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - QG1   VAL   41  13.95 +/- 2.86   0.022% *  0.4989% (0.52   0.02   0.02) =   0.002%
          QB    ALA  120 - QG2   VAL   18  12.92 +/- 1.27   0.022% *  0.3567% (0.38   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QG2   VAL   18  15.30 +/- 1.60   0.009% *  0.6529% (0.69   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QG1   VAL   41  15.39 +/- 0.96   0.007% *  0.5551% (0.58   0.02   0.02) =   0.001%
          QB    ALA  120 - QG1   VAL   41  14.04 +/- 2.14   0.012% *  0.2726% (0.29   0.02   0.02) =   0.001%
          QB    ALA  120 - QD2   LEU  104  11.57 +/- 1.96   0.045% *  0.0548% (0.06   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  14.41 +/- 1.12   0.009% *  0.2242% (0.24   0.02   0.02) =   0.000%
          HG    LEU  115 - QG1   VAL   41  16.05 +/- 1.98   0.005% *  0.2726% (0.29   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  14.72 +/- 1.12   0.009% *  0.1220% (0.13   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  15.20 +/- 1.90   0.011% *  0.0451% (0.05   0.02   0.02) =   0.000%
          HG    LEU  115 - QD2   LEU  104  14.95 +/- 1.67   0.008% *  0.0548% (0.06   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  104  17.28 +/- 0.90   0.003% *  0.1448% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  18.59 +/- 1.19   0.002% *  0.1116% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 0.986, residual support = 3.4:
        T HA    ALA   61 - QG2   VAL   18   3.53 +/- 1.53  95.138% * 97.7262% (0.87 10.00   0.99   3.40) =  99.992%  kept
        T HA    ALA   61 - QG1   VAL   41  13.73 +/- 0.76   0.161% *  1.5141% (0.66 10.00   0.02   0.02) =   0.003%
          HA    VAL   24 - QG2   VAL   18  11.99 +/- 1.30   1.253% *  0.1112% (0.49  1.00   0.02   0.02) =   0.001%
          HA    VAL   24 - QG1   VAL   41  10.17 +/- 0.81   1.204% *  0.0850% (0.37  1.00   0.02   0.02) =   0.001%
          HD2   PRO   68 - QG2   VAL   18  10.42 +/- 1.60   0.428% *  0.2239% (0.98  1.00   0.02   0.02) =   0.001%
          HD2   PRO   68 - QG1   VAL   41  11.60 +/- 1.25   0.429% *  0.1711% (0.75  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QG2   VAL   18   9.06 +/- 0.96   0.879% *  0.0452% (0.20  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QD2   LEU  104  13.57 +/- 1.94   0.341% *  0.0344% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QD2   LEU  104  16.96 +/- 1.07   0.057% *  0.0304% (0.13  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG1   VAL   41  18.02 +/- 0.87   0.031% *  0.0345% (0.15  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD2   LEU  104  16.37 +/- 1.18   0.055% *  0.0171% (0.07  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QD2   LEU  104  19.07 +/- 0.97   0.025% *  0.0069% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 7 structures by 0.92 A, kept.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.22, residual support = 74.5:
      O T HA    VAL   41 - QG1   VAL   41   2.52 +/- 0.21  99.669% * 98.8372% (0.65  10.0 10.00   4.22  74.50) = 100.000%  kept
        T HA    VAL   41 - QG2   VAL   18  10.54 +/- 0.70   0.024% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG2   VAL   18   8.52 +/- 1.23   0.111% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   41 - QD2   LEU  104   8.77 +/- 0.84   0.065% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG1   VAL   41  12.21 +/- 0.47   0.008% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG1   VAL   41  12.52 +/- 4.15   0.024% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104  10.28 +/- 4.29   0.092% *  0.0023% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   18  14.14 +/- 1.28   0.004% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  15.42 +/- 0.77   0.002% *  0.0082% (0.05   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 2317 (7.29, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 0.75, residual support = 3.11:
          QD    PHE   60 - QG1   VAL   18   3.85 +/- 0.55  96.452% * 95.5540% (1.00   0.75   3.11) =  99.958%  kept
          HN    LYS+  66 - QG1   VAL   18   8.46 +/- 1.04   1.454% *  1.7503% (0.69   0.02   0.02) =   0.028%
          QE    PHE   59 - QG1   VAL   18   8.34 +/- 1.71   2.023% *  0.5673% (0.22   0.02   0.02) =   0.012%
          HN    LYS+  81 - QG1   VAL   18  13.97 +/- 1.01   0.071% *  2.1284% (0.84   0.02   0.02) =   0.002%
    Distance limit 3.03 A violated in 8 structures by 0.84 A, kept.
 
    Peak 2318 (8.26, 0.86, 22.91 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.49, residual support = 76.5:
          HN    VAL   18 - QG1   VAL   18   3.57 +/- 0.19  99.942% * 99.8233% (0.92   5.49  76.52) = 100.000%  kept
          HN    SER   13 - QG1   VAL   18  12.76 +/- 1.36   0.058% *  0.1767% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.308, support = 0.986, residual support = 0.984:
          HN    LYS+  74 - QG1   VAL   18   3.84 +/- 1.00  97.333% * 88.9039% (0.31   0.99   0.99) =  99.870%  kept
          HN    THR   46 - QG1   VAL   18   8.00 +/- 0.87   2.457% *  4.2385% (0.73   0.02   0.02) =   0.120%
          HN    MET   92 - QG1   VAL   18  13.59 +/- 1.68   0.146% *  5.2347% (0.90   0.02   0.02) =   0.009%
          HN    ASP- 113 - QG1   VAL   18  16.19 +/- 1.39   0.064% *  1.6229% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.46 A violated in 5 structures by 0.61 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.63, residual support = 20.6:
          HN    ILE   19 - QG1   VAL   18   2.70 +/- 0.40  75.802% * 99.7957% (0.84   4.63  20.61) =  99.967%  kept
          HN    LEU   73 - QG1   VAL   18   3.83 +/- 0.97  23.960% *  0.1021% (0.20   0.02   0.02) =   0.032%
          HN    VAL   42 - QG1   VAL   18   7.34 +/- 0.87   0.238% *  0.1021% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 2.38, residual support = 3.11:
          QD    PHE   60 - QG2   VAL   18   3.98 +/- 0.83  91.601% * 95.0230% (0.80   2.38   3.11) =  99.939%  kept
          HN    LYS+  66 - QG2   VAL   18   7.76 +/- 1.68   3.369% *  0.9781% (0.98   0.02   0.02) =   0.038%
          QE    PHE   59 - QG2   VAL   18   8.47 +/- 1.67   1.925% *  0.5650% (0.57   0.02   0.02) =   0.012%
          HN    PHE   59 - QG2   VAL   18   8.31 +/- 1.11   1.829% *  0.2222% (0.22   0.02   0.02) =   0.005%
          QD    PHE   60 - QG1   VAL   41  10.73 +/- 1.04   0.438% *  0.6107% (0.61   0.02   0.02) =   0.003%
          QE    PHE   59 - QG1   VAL   41  12.22 +/- 2.16   0.183% *  0.4318% (0.43   0.02   0.02) =   0.001%
          HN    LYS+  66 - QG1   VAL   41  13.75 +/- 0.60   0.096% *  0.7475% (0.75   0.02   0.02) =   0.001%
          HN    LYS+  81 - QG2   VAL   18  15.16 +/- 1.41   0.070% *  0.4474% (0.45   0.02   0.02) =   0.000%
          QD    PHE   60 - QD2   LEU  104  13.15 +/- 1.40   0.147% *  0.1228% (0.12   0.02   0.02) =   0.000%
          QE    PHE   59 - QD2   LEU  104  11.95 +/- 1.49   0.195% *  0.0868% (0.09   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG1   VAL   41  16.05 +/- 0.82   0.037% *  0.3419% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD2   LEU  104  15.89 +/- 1.36   0.058% *  0.1503% (0.15   0.02   0.02) =   0.000%
          HN    PHE   59 - QG1   VAL   41  16.64 +/- 0.96   0.026% *  0.1698% (0.17   0.02   0.02) =   0.000%
          HN    PHE   59 - QD2   LEU  104  17.60 +/- 1.00   0.020% *  0.0341% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU  104  20.50 +/- 1.33   0.008% *  0.0687% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 10 structures by 0.98 A, kept.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 5.22, residual support = 76.5:
          HN    VAL   18 - QG2   VAL   18   2.22 +/- 0.54  99.685% * 98.1276% (0.61   5.22  76.52) =  99.999%  kept
          HN    GLN   30 - QG1   VAL   41   7.36 +/- 0.77   0.217% *  0.1182% (0.19   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG1   VAL   41   9.14 +/- 0.60   0.056% *  0.3441% (0.55   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG2   VAL   18  13.67 +/- 1.21   0.008% *  0.4503% (0.73   0.02   0.02) =   0.000%
          HN    GLN   30 - QG2   VAL   18  12.07 +/- 1.14   0.016% *  0.1546% (0.25   0.02   0.02) =   0.000%
          HN    VAL   18 - QG1   VAL   41  13.11 +/- 0.96   0.005% *  0.2874% (0.46   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG1   VAL   41  13.67 +/- 1.13   0.005% *  0.1463% (0.24   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG2   VAL   18  17.08 +/- 1.23   0.002% *  0.1914% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  29 - QD2   LEU  104  16.64 +/- 1.24   0.001% *  0.0692% (0.11   0.02   0.02) =   0.000%
          HN    GLN   30 - QD2   LEU  104  15.11 +/- 1.30   0.002% *  0.0238% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  16.07 +/- 1.86   0.002% *  0.0294% (0.05   0.02   0.02) =   0.000%
          HN    VAL   18 - QD2   LEU  104  17.93 +/- 1.04   0.001% *  0.0578% (0.09   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.51, residual support = 74.5:
          HN    VAL   41 - QG1   VAL   41   2.32 +/- 0.54  98.754% * 98.4829% (0.14   4.51  74.50) = 100.000%  kept
          HN    VAL   41 - QD2   LEU  104   6.49 +/- 0.87   1.041% *  0.0234% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG1   VAL   41  11.47 +/- 0.64   0.012% *  0.6382% (0.20   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QD2   LEU  104   7.49 +/- 0.27   0.181% *  0.0343% (0.01   0.02   0.02) =   0.000%
          HN    VAL   41 - QG2   VAL   18  12.46 +/- 0.68   0.009% *  0.3335% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG2   VAL   18  14.94 +/- 1.12   0.003% *  0.4877% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2325 (6.61, 0.60, 22.78 ppm):
    4 chemical-shift based assignments, quality = 0.357, support = 5.34, residual support = 87.5:
          HN    VAL   83 - QG1   VAL   83   2.45 +/- 0.36  99.944% * 98.5356% (0.36   5.34  87.48) = 100.000%  kept
          HE22  GLN   30 - QG1   VAL   83   9.99 +/- 1.89   0.050% *  0.1776% (0.17   0.02   0.02) =   0.000%
          HN    CYS   50 - QG1   VAL   83  14.68 +/- 1.32   0.003% *  0.7786% (0.75   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   83  14.43 +/- 1.23   0.004% *  0.5082% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 0.517, residual support = 0.682:
        T QG2   VAL   24 - QG1   VAL   83   2.68 +/- 1.02  53.519% * 63.4708% (0.46 10.00   0.29   0.68) =  73.947%  kept
          QG1   VAL   24 - QG1   VAL   83   2.84 +/- 1.09  46.460% * 25.7573% (0.46  1.00   1.17   0.68) =  26.050%  kept
        T QG1   VAL  107 - QG1   VAL   83  13.25 +/- 1.74   0.017% *  7.2780% (0.75 10.00   0.02   0.02) =   0.003%
        T HG    LEU   63 - QG1   VAL   83  17.17 +/- 2.08   0.003% *  3.1490% (0.33 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG1   VAL   83  20.84 +/- 3.08   0.001% *  0.3449% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 1 structures by 0.05 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 2327 (10.23, 0.60, 22.78 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2328 (2.36, 4.18, 60.49 ppm):
    6 chemical-shift based assignments, quality = 0.48, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  15.81 +/- 1.10  14.152% * 27.9530% (0.14 10.00   0.02   0.02) =  37.290%  kept
          HB2   PRO   58 - HA    ILE   19  15.60 +/- 1.21  14.116% * 19.0666% (0.92  1.00   0.02   0.02) =  25.372%  kept
          QG    GLU-  79 - HA    ILE   19  12.12 +/- 1.33  60.293% *  3.1869% (0.15  1.00   0.02   0.02) =  18.113%  kept
          HB3   PHE   97 - HA    ILE   19  17.33 +/- 0.94   7.736% * 19.0666% (0.92  1.00   0.02   0.02) =  13.905%  kept
          HB2   GLU- 100 - HA    ILE   19  21.93 +/- 1.52   2.042% * 14.1878% (0.69  1.00   0.02   0.02) =   2.732%  kept
          HB2   GLN  116 - HA    ILE   19  22.25 +/- 1.44   1.660% * 16.5389% (0.80  1.00   0.02   0.02) =   2.588%  kept
    Distance limit 3.72 A violated in 20 structures by 7.34 A, eliminated.
    Peak unassigned.
 
    Peak 2330 (8.72, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.1, residual support = 19.7:
      O   HN    ALA   20 - HA    ILE   19   2.25 +/- 0.06  99.996% * 99.9363% (0.73  10.0   5.10  19.65) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  12.78 +/- 0.81   0.003% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  22.27 +/- 3.23   0.000% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.59 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 = 5.86, residual support = 128.8:
      O   HN    ILE   19 - HA    ILE   19   2.92 +/- 0.02  99.579% * 99.8764% (0.98  10.0   5.86 128.78) = 100.000%  kept
          HN    LEU   73 - HA    ILE   19   7.42 +/- 0.34   0.383% *  0.0618% (0.61   1.0   0.02   4.00) =   0.000%
          HN    VAL   42 - HA    ILE   19  11.02 +/- 0.70   0.038% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2332 (5.57, 2.00, 37.78 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 2.0, residual support = 4.0:
          HA    LEU   73 - HB    ILE   19   3.88 +/- 1.40 100.000% *100.0000% (0.95   2.00   4.00) = 100.000%  kept
    Distance limit 3.77 A violated in 3 structures by 0.49 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.07, residual support = 128.8:
      O   HN    ILE   19 - HB    ILE   19   2.69 +/- 0.30  98.721% * 99.6598% (0.65  10.0   5.07 128.78) =  99.998%  kept
          HN    LEU   73 - HB    ILE   19   6.18 +/- 1.38   1.175% *  0.1487% (0.97   1.0   0.02   4.00) =   0.002%
          HN    VAL   42 - HB    ILE   19   9.14 +/- 1.76   0.103% *  0.1487% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    ILE   19  19.92 +/- 1.72   0.001% *  0.0428% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2334 (1.27, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2335 (1.43, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2336 (2.01, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2337 (2.75, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2338 (4.18, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2339 (8.73, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2340 (8.94, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2341 (0.93, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.41, support = 0.0199, residual support = 0.58:
          QD2   LEU   67 - HG13  ILE   19  10.17 +/- 2.60  10.019% * 39.2581% (0.69   0.02   0.02) =  47.455%  kept
          QD1   LEU   40 - HG    LEU   71   6.29 +/- 0.90  68.878% *  3.3680% (0.06   0.02   2.02) =  27.988%  kept
          QD1   LEU   40 - HG13  ILE   19  10.66 +/- 1.61   4.747% * 23.4959% (0.41   0.02   0.02) =  13.458%  kept
          QD2   LEU   67 - HG    LEU   71   9.31 +/- 2.00  13.474% *  5.6275% (0.10   0.02   0.02) =   9.148%  kept
          QG2   ILE  119 - HG13  ILE   19  14.12 +/- 1.79   0.665% * 15.8904% (0.28   0.02   0.02) =   1.275%  kept
          QD1   ILE  103 - HG13  ILE   19  16.55 +/- 1.24   0.271% *  8.8183% (0.15   0.02   0.02) =   0.288%
          QG2   ILE  119 - HG    LEU   71  14.05 +/- 2.80   0.746% *  2.2778% (0.04   0.02   0.02) =   0.205%
          QD1   ILE  103 - HG    LEU   71  12.83 +/- 0.89   1.200% *  1.2641% (0.02   0.02   0.02) =   0.183%
    Distance limit 2.97 A violated in 20 structures by 2.87 A, eliminated.
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.644, support = 5.04, residual support = 128.0:
          HN    ILE   19 - HG13  ILE   19   3.06 +/- 0.61  88.621% * 92.1814% (0.65   5.07 128.78) =  99.381%  kept
          HN    VAL   42 - HG    LEU   71   5.07 +/- 0.48   7.778% *  6.4240% (0.14   1.65   6.01) =   0.608%  kept
          HN    LEU   73 - HG13  ILE   19   7.09 +/- 1.10   1.128% *  0.5429% (0.97   0.02   4.00) =   0.007%
          HN    LEU   73 - HG    LEU   71   6.93 +/- 0.96   1.728% *  0.0778% (0.14   0.02   0.02) =   0.002%
          HN    VAL   42 - HG13  ILE   19   9.78 +/- 1.75   0.212% *  0.5429% (0.97   0.02   0.02) =   0.001%
          HN    ILE   19 - HG    LEU   71   8.38 +/- 1.25   0.528% *  0.0522% (0.09   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG13  ILE   19  20.35 +/- 1.63   0.001% *  0.1564% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   71  16.98 +/- 1.11   0.004% *  0.0224% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2343 (6.66, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2344 (7.18, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.315, support = 0.02, residual support = 0.883:
          HE22  GLN   30 - QD1   ILE   19   7.35 +/- 1.88  92.433% * 12.2345% (0.25   0.02   1.05) =  83.784%  kept
          HN    CYS   50 - QD1   ILE   19  17.11 +/- 1.77   2.540% * 39.2884% (0.80   0.02   0.02) =   7.394%  kept
          HN    TRP   49 - QD1   ILE   19  17.85 +/- 2.09   2.329% * 31.7406% (0.65   0.02   0.02) =   5.477%  kept
          HN    VAL   83 - QD1   ILE   19  16.02 +/- 1.39   2.698% * 16.7366% (0.34   0.02   0.02) =   3.345%  kept
    Distance limit 4.08 A violated in 19 structures by 3.07 A, eliminated.
    Peak unassigned.
 
    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  17.95 +/- 1.40 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 3.89 A violated in 20 structures by 14.07 A, eliminated.
    Peak unassigned.
 
    Peak 2347 (4.18, 1.14, 19.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.56, residual support = 19.7:
          HA    ILE   19 - QB    ALA   20   3.89 +/- 0.04  99.520% * 98.6251% (0.92   3.56  19.65) =  99.997%  kept
          HA    GLU-  25 - QB    ALA   20  10.40 +/- 0.63   0.312% *  0.5995% (1.00   0.02   0.02) =   0.002%
          HA    CYS   53 - QB    ALA   20  13.04 +/- 1.87   0.124% *  0.4118% (0.69   0.02   0.02) =   0.001%
          HA    SER   82 - QB    ALA   20  14.88 +/- 1.65   0.043% *  0.3636% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.878, support = 0.0199, residual support = 8.14:
          QE    LYS+  74 - QB    ALA   20   5.07 +/- 1.03  89.212% * 25.4326% (0.90   0.02   8.75) =  93.079%  kept
          HB2   PHE   72 - QB    ALA   20   8.23 +/- 0.86   6.436% * 16.0552% (0.57   0.02   0.02) =   4.239%  kept
          QB    CYS   50 - QB    ALA   20  10.55 +/- 1.40   1.973% * 26.1780% (0.92   0.02   0.02) =   2.119%  kept
          HB3   ASP-  78 - QB    ALA   20  10.29 +/- 1.37   2.294% *  4.9664% (0.18   0.02   0.02) =   0.467%
          HB3   ASN   69 - QB    ALA   20  17.07 +/- 0.70   0.085% * 27.3678% (0.97   0.02   0.02) =   0.096%
    Distance limit 3.56 A violated in 15 structures by 1.48 A, eliminated.
    Peak unassigned.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.808, support = 1.91, residual support = 3.79:
          HD2   HIS   22 - QB    ALA   20   4.94 +/- 0.09  45.935% * 72.3252% (0.92   2.15   5.17) =  71.038%  kept
          HN    THR   23 - QB    ALA   20   4.82 +/- 0.46  53.207% * 25.4502% (0.53   1.33   0.40) =  28.954%  kept
          QE    PHE   95 - QB    ALA   20  11.33 +/- 1.94   0.540% *  0.3544% (0.49   0.02   0.02) =   0.004%
          HD1   TRP   49 - QB    ALA   20  14.07 +/- 2.27   0.123% *  0.7217% (0.99   0.02   0.02) =   0.002%
          HN    LEU   67 - QB    ALA   20  13.64 +/- 0.91   0.116% *  0.6530% (0.90   0.02   0.02) =   0.002%
          HD21  ASN   35 - QB    ALA   20  17.25 +/- 1.07   0.026% *  0.3831% (0.53   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   20  15.73 +/- 1.57   0.055% *  0.1124% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 3.72, residual support = 15.5:
          HN    CYS   21 - QB    ALA   20   3.57 +/- 0.08  99.904% * 99.0899% (0.95   3.72  15.46) = 100.000%  kept
          HN    LYS+  33 - QB    ALA   20  12.64 +/- 0.62   0.055% *  0.3415% (0.61   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    ALA   20  15.56 +/- 1.72   0.022% *  0.1738% (0.31   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    ALA   20  17.78 +/- 0.79   0.007% *  0.2962% (0.53   0.02   0.02) =   0.000%
          HN    SER   37 - QB    ALA   20  16.23 +/- 0.57   0.012% *  0.0986% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 3.6, residual support = 14.8:
      O   HN    ALA   20 - QB    ALA   20   2.13 +/- 0.08  99.986% * 99.6086% (0.31  10.0   3.60  14.83) = 100.000%  kept
          HN    PHE   45 - QB    ALA   20  10.16 +/- 1.12   0.014% *  0.2343% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   20  18.54 +/- 2.95   0.000% *  0.1571% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 0.498, support = 0.02, residual support = 0.02:
          QB    LYS+  33 - HB2   CYS   21  10.49 +/- 1.36  43.057% *  4.7734% (0.34   0.02   0.02) =  34.841%  kept
          HB    VAL   41 - HB2   CYS   21  12.04 +/- 2.44  22.294% *  9.0526% (0.65   0.02   0.02) =  34.213%  kept
          QB    LYS+  81 - HB2   CYS   21  13.07 +/- 1.42  13.664% *  3.1155% (0.22   0.02   0.02) =   7.216%  kept
          HG12  ILE  103 - HB2   CYS   21  16.11 +/- 2.79   3.688% * 11.2053% (0.80   0.02   0.02) =   7.006%  kept
          QB    LYS+  66 - HB2   CYS   21  17.28 +/- 1.60   2.485% *  6.2738% (0.45   0.02   0.02) =   2.643%  kept
          HG2   ARG+  54 - HB2   CYS   21  19.29 +/- 1.81   2.121% *  6.8115% (0.49   0.02   0.02) =   2.449%  kept
          HB3   PRO   52 - HB2   CYS   21  20.86 +/- 1.33   0.857% * 13.7167% (0.98   0.02   0.02) =   1.992%  kept
          HB    ILE  103 - HB2   CYS   21  18.47 +/- 2.70   1.502% *  7.3624% (0.53   0.02   0.02) =   1.875%  kept
          QB    LYS+ 106 - HB2   CYS   21  16.02 +/- 2.17   3.594% *  2.7693% (0.20   0.02   0.02) =   1.687%  kept
          HG3   PRO   68 - HB2   CYS   21  19.57 +/- 1.54   1.154% *  7.9226% (0.57   0.02   0.02) =   1.550%  kept
          HB3   ASP- 105 - HB2   CYS   21  19.35 +/- 2.80   1.248% *  6.2738% (0.45   0.02   0.02) =   1.327%  kept
          HG2   PRO   93 - HB2   CYS   21  17.34 +/- 2.25   2.490% *  3.1155% (0.22   0.02   0.02) =   1.315%  kept
          HB3   GLN   90 - HB2   CYS   21  18.70 +/- 1.82   1.444% *  3.8908% (0.28   0.02   0.02) =   0.952%  kept
          HG    LEU  123 - HB2   CYS   21  23.88 +/- 2.48   0.401% * 13.7167% (0.98   0.02   0.02) =   0.933%  kept
    Distance limit 3.65 A violated in 20 structures by 5.35 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.74, support = 1.28, residual support = 4.9:
          QD1   LEU   73 - HB2   CYS   21   5.44 +/- 2.15  40.557% * 79.5020% (0.80   1.43   5.72) =  85.606%  kept
          QD2   LEU   80 - HB2   CYS   21   5.41 +/- 2.06  39.319% * 11.6492% (0.41   0.41   0.02) =  12.161%  kept
          QD1   LEU   80 - HB2   CYS   21   6.14 +/- 1.38  17.605% *  4.6901% (0.22   0.30   0.02) =   2.192%  kept
          QG2   VAL   41 - HB2   CYS   21   9.04 +/- 2.42   1.434% *  0.5215% (0.38   0.02   0.02) =   0.020%
          QD1   LEU   63 - HB2   CYS   21  13.44 +/- 1.96   0.308% *  1.1127% (0.80   0.02   0.02) =   0.009%
          QD2   LEU   63 - HB2   CYS   21  14.07 +/- 2.34   0.219% *  1.2827% (0.92   0.02   0.02) =   0.007%
          QD2   LEU   98 - HB2   CYS   21  10.63 +/- 2.36   0.459% *  0.3094% (0.22   0.02   0.02) =   0.004%
          QD2   LEU  115 - HB2   CYS   21  16.59 +/- 1.87   0.060% *  0.6230% (0.45   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB2   CYS   21  16.74 +/- 2.10   0.039% *  0.3094% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 4 structures by 0.68 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.67, residual support = 29.3:
      O T HA    CYS   21 - HB2   CYS   21   2.90 +/- 0.21  99.992% * 99.6850% (0.92  10.0 10.00   2.67  29.34) = 100.000%  kept
          HA    LYS+ 102 - HB2   CYS   21  18.36 +/- 2.92   0.002% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB2   CYS   21  17.00 +/- 1.78   0.003% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB2   CYS   21  18.84 +/- 1.61   0.002% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  23.36 +/- 2.21   0.000% *  0.0655% (0.61   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 2355 (7.35, 3.08, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.7, support = 2.88, residual support = 5.65:
          HN    THR   23 - HB2   CYS   21   4.38 +/- 0.83  78.792% * 25.0616% (0.53   2.22   4.32) =  56.125%  kept
          HD2   HIS   22 - HB2   CYS   21   6.08 +/- 1.08  20.965% * 73.6297% (0.92   3.72   7.35) =  43.874%  kept
          QE    PHE   95 - HB2   CYS   21  13.20 +/- 1.97   0.142% *  0.2085% (0.49   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   CYS   21  16.29 +/- 2.52   0.053% *  0.2254% (0.53   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   CYS   21  16.76 +/- 1.41   0.027% *  0.3842% (0.90   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   CYS   21  18.20 +/- 2.10   0.013% *  0.4246% (0.99   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   CYS   21  20.16 +/- 1.15   0.008% *  0.0661% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.39, residual support = 29.3:
      O   HN    CYS   21 - HB2   CYS   21   2.62 +/- 0.38  99.971% * 99.8294% (0.95  10.0   3.39  29.34) = 100.000%  kept
          HN    LYS+  33 - HB2   CYS   21  11.49 +/- 1.77   0.023% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   CYS   21  16.01 +/- 2.17   0.003% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  16.17 +/- 1.62   0.002% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   CYS   21  21.01 +/- 2.18   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.328, support = 0.02, residual support = 0.02:
          QB    LYS+  33 - HB3   CYS   21   9.91 +/- 1.48  54.532% *  4.7734% (0.23   0.02   0.02) =  45.273%  kept
          HB    VAL   41 - HB3   CYS   21  12.12 +/- 2.58  19.458% *  9.0526% (0.44   0.02   0.02) =  30.637%  kept
          QB    LYS+  81 - HB3   CYS   21  13.30 +/- 1.28  10.958% *  3.1155% (0.15   0.02   0.02) =   5.938%  kept
          HG12  ILE  103 - HB3   CYS   21  16.39 +/- 2.93   3.041% * 11.2053% (0.55   0.02   0.02) =   5.927%  kept
          QB    LYS+  66 - HB3   CYS   21  18.01 +/- 1.36   1.696% *  6.2738% (0.31   0.02   0.02) =   1.851%  kept
          HG2   ARG+  54 - HB3   CYS   21  20.53 +/- 1.81   1.430% *  6.8115% (0.33   0.02   0.02) =   1.694%  kept
          HB    ILE  103 - HB3   CYS   21  18.76 +/- 2.83   1.243% *  7.3624% (0.36   0.02   0.02) =   1.592%  kept
          HB3   PRO   52 - HB3   CYS   21  22.01 +/- 1.32   0.630% * 13.7167% (0.67   0.02   0.02) =   1.502%  kept
          HG3   PRO   68 - HB3   CYS   21  20.10 +/- 1.45   0.890% *  7.9226% (0.39   0.02   0.02) =   1.226%  kept
          QB    LYS+ 106 - HB3   CYS   21  16.66 +/- 2.20   2.482% *  2.7693% (0.14   0.02   0.02) =   1.196%  kept
          HB3   ASP- 105 - HB3   CYS   21  20.00 +/- 2.82   0.883% *  6.2738% (0.31   0.02   0.02) =   0.964%  kept
          HG2   PRO   93 - HB3   CYS   21  18.51 +/- 2.01   1.411% *  3.1155% (0.15   0.02   0.02) =   0.764%  kept
          HG    LEU  123 - HB3   CYS   21  24.70 +/- 2.67   0.308% * 13.7167% (0.67   0.02   0.02) =   0.734%  kept
          HB3   GLN   90 - HB3   CYS   21  19.38 +/- 1.73   1.038% *  3.8908% (0.19   0.02   0.02) =   0.703%  kept
    Distance limit 3.74 A violated in 20 structures by 5.11 A, eliminated.
    Peak unassigned.
 
    Peak 2359 (1.49, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.597, support = 2.15, residual support = 2.79:
          QG2   THR   26 - HB3   CYS   21   3.06 +/- 1.63  96.698% * 74.0692% (0.60   2.17   2.68) =  98.959%  kept
          HB2   LYS+  74 - HB3   CYS   21   7.17 +/- 1.01   3.206% * 23.4764% (0.69   0.60  13.13) =   1.040%  kept
          HG2   LYS+  65 - HB3   CYS   21  17.47 +/- 2.13   0.048% *  0.6306% (0.55   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   CYS   21  16.29 +/- 2.27   0.014% *  0.4459% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   CYS   21  19.89 +/- 1.31   0.015% *  0.2687% (0.23   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   CYS   21  21.25 +/- 2.16   0.010% *  0.2687% (0.23   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   CYS   21  21.57 +/- 2.07   0.007% *  0.2687% (0.23   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   CYS   21  23.80 +/- 3.47   0.002% *  0.5719% (0.50   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 2 structures by 0.34 A, kept.
 
    Peak 2360 (0.57, 2.60, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.514, support = 1.3, residual support = 5.01:
          QD1   LEU   73 - HB3   CYS   21   5.41 +/- 2.33  45.489% * 79.2094% (0.55   1.43   5.72) =  87.548%  kept
          QD2   LEU   80 - HB3   CYS   21   5.62 +/- 2.00  36.068% * 12.2029% (0.28   0.43   0.02) =  10.694%  kept
          QD1   LEU   80 - HB3   CYS   21   6.35 +/- 1.27  15.952% *  4.4444% (0.15   0.29   0.02) =   1.723%  kept
          QG2   VAL   41 - HB3   CYS   21   9.04 +/- 2.51   1.555% *  0.5196% (0.26   0.02   0.02) =   0.020%
          QD1   LEU   63 - HB3   CYS   21  14.27 +/- 1.89   0.230% *  1.1086% (0.55   0.02   0.02) =   0.006%
          QD2   LEU   63 - HB3   CYS   21  14.82 +/- 2.22   0.165% *  1.2780% (0.63   0.02   0.02) =   0.005%
          QD2   LEU   98 - HB3   CYS   21  10.73 +/- 2.47   0.451% *  0.3082% (0.15   0.02   0.02) =   0.003%
          QD2   LEU  115 - HB3   CYS   21  17.49 +/- 1.98   0.052% *  0.6207% (0.31   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   CYS   21  16.97 +/- 2.17   0.038% *  0.3082% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 4 structures by 0.64 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.39, residual support = 29.3:
      O   HN    CYS   21 - HB3   CYS   21   3.45 +/- 0.40  99.773% * 99.8294% (0.65  10.0   3.39  29.34) = 100.000%  kept
          HN    LYS+  33 - HB3   CYS   21  10.71 +/- 2.03   0.198% *  0.0640% (0.42   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   CYS   21  16.56 +/- 2.15   0.011% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  15.64 +/- 1.79   0.016% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   CYS   21  21.97 +/- 2.20   0.002% *  0.0555% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2362 (7.74, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.525, support = 0.746, residual support = 1.49:
          HN    TRP   27 - HB3   CYS   21   3.93 +/- 2.68  97.782% * 88.5197% (0.52   0.75   1.49) =  99.955%  kept
          HD1   TRP   87 - HB3   CYS   21  13.52 +/- 2.27   0.490% *  2.8657% (0.63   0.02   0.02) =   0.016%
          HN    THR   39 - HB3   CYS   21  15.57 +/- 1.97   0.261% *  2.9366% (0.65   0.02   0.02) =   0.009%
          HN    ALA   61 - HB3   CYS   21  15.74 +/- 0.68   0.712% *  1.0589% (0.23   0.02   0.02) =   0.009%
          HN    GLU-  36 - HB3   CYS   21  14.89 +/- 1.89   0.352% *  1.7576% (0.39   0.02   0.02) =   0.007%
          HN    ALA   91 - HB3   CYS   21  17.80 +/- 1.87   0.194% *  1.2762% (0.28   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HB3   CYS   21  18.44 +/- 3.44   0.070% *  1.1651% (0.26   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB3   CYS   21  16.26 +/- 2.90   0.139% *  0.4201% (0.09   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 4 structures by 1.00 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.51, support = 3.22, residual support = 5.97:
          HD2   HIS   22 - HB3   CYS   21   5.61 +/- 0.83  27.088% * 75.2939% (0.63   4.06   7.35) =  54.439%  kept
          HN    THR   23 - HB3   CYS   21   4.56 +/- 0.56  72.704% * 23.4774% (0.36   2.22   4.32) =  45.560%  kept
          QE    PHE   95 - HB3   CYS   21  14.11 +/- 1.93   0.100% *  0.1958% (0.33   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB3   CYS   21  15.57 +/- 2.78   0.067% *  0.2116% (0.36   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   CYS   21  17.49 +/- 1.11   0.021% *  0.3607% (0.62   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   CYS   21  19.23 +/- 2.18   0.012% *  0.3986% (0.68   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   CYS   21  21.25 +/- 1.03   0.006% *  0.0621% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.69, residual support = 29.3:
      O T HA    CYS   21 - HB3   CYS   21   2.57 +/- 0.17  99.997% * 99.6850% (0.63  10.0 10.00   2.69  29.34) = 100.000%  kept
          HA    LYS+ 102 - HB3   CYS   21  18.36 +/- 3.10   0.001% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB3   CYS   21  18.13 +/- 1.61   0.001% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB3   CYS   21  19.86 +/- 1.81   0.001% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  24.39 +/- 2.11   0.000% *  0.0655% (0.42   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 2365 (7.35, 3.50, 29.58 ppm):
    7 chemical-shift based assignments, quality = 0.732, support = 2.6, residual support = 34.5:
      O   HD2   HIS   22 - HB2   HIS   22   3.17 +/- 0.52  86.126% * 87.0870% (0.74  10.0   2.54  34.83) =  97.722%  kept
          HN    THR   23 - HB2   HIS   22   4.49 +/- 0.05  13.850% * 12.6248% (0.42   1.0   5.09  21.07) =   2.278%  kept
          HD1   TRP   49 - HB2   HIS   22  20.46 +/- 3.28   0.014% *  0.0935% (0.79   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB2   HIS   22  17.57 +/- 1.97   0.005% *  0.0459% (0.39   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   HIS   22  18.14 +/- 1.67   0.003% *  0.0496% (0.42   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   HIS   22  21.07 +/- 1.11   0.001% *  0.0846% (0.72   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  23.78 +/- 2.11   0.001% *  0.0146% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2366 (7.36, 3.24, 29.58 ppm):
    6 chemical-shift based assignments, quality = 0.931, support = 3.21, residual support = 34.6:
      O   HD2   HIS   22 - HB3   HIS   22   3.61 +/- 0.46  72.652% * 94.7776% (0.95  10.0   3.16  34.83) =  98.061%  kept
          HN    THR   23 - HB3   HIS   22   4.37 +/- 0.21  27.331% *  4.9820% (0.18   1.0   5.68  21.07) =   1.939%  kept
          HD21  ASN   35 - HB3   HIS   22  18.48 +/- 1.83   0.005% *  0.0925% (0.92   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   HIS   22  20.34 +/- 2.93   0.004% *  0.0837% (0.84   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  17.81 +/- 2.01   0.007% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   HIS   22  21.53 +/- 1.00   0.002% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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   3.72 +/- 0.45  99.850% * 95.9549% (0.34   3.30  21.07) =  99.997%  kept
          QG2   THR   77 - HB3   HIS   22  12.46 +/- 1.13   0.135% *  1.6912% (0.99   0.02   0.02) =   0.002%
          QB    ALA   88 - HB3   HIS   22  18.89 +/- 1.20   0.009% *  1.2390% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   HIS   22  22.73 +/- 1.95   0.003% *  0.6404% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   HIS   22  23.48 +/- 1.66   0.002% *  0.4744% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.21, residual support = 12.7:
          HN    ALA   47 - HB    THR   46   3.50 +/- 0.70  98.807% * 98.4520% (0.38   3.21  12.69) =  99.981%  kept
          QD    PHE   95 - HB    THR   46   8.72 +/- 1.44   1.193% *  1.5480% (0.95   0.02   0.02) =   0.019%
    Distance limit 4.11 A violated in 0 structures by 0.03 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   3.26 +/- 0.37  94.734% * 99.6646% (0.87  10.0   3.25  34.52) =  99.995%  kept
          HN    MET   92 - HB    THR   46   9.21 +/- 2.44   4.921% *  0.0789% (0.69   1.0   0.02   0.02) =   0.004%
          HN    LYS+  74 - HB    THR   46   9.03 +/- 1.64   0.307% *  0.1126% (0.98   1.0   0.02   0.16) =   0.000%
          HN    LYS+ 112 - HB    THR   46  15.24 +/- 2.39   0.037% *  0.0604% (0.53   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    THR   46  27.65 +/- 4.96   0.001% *  0.0834% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.434, support = 0.02, residual support = 0.02:
          QG2   THR   77 - HB2   HIS   22  12.53 +/- 1.39  23.175% * 12.9434% (0.64  1.00   0.02   0.02) =  41.919%  kept
          HB3   LEU   80 - HB2   HIS   22  10.77 +/- 0.93  51.056% *  4.0306% (0.20  1.00   0.02   0.02) =  28.758%  kept
          HB2   LEU   31 - HB2   HIS   22  12.94 +/- 1.55  21.328% *  6.0667% (0.30  1.00   0.02   0.02) =  18.081%  kept
        T HB2   LEU   63 - HB2   HIS   22  20.40 +/- 1.69   1.210% * 28.3087% (0.14 10.00   0.02   0.02) =   4.785%  kept
          QB    ALA   88 - HB2   HIS   22  18.96 +/- 1.24   1.711% * 16.1643% (0.80  1.00   0.02   0.02) =   3.865%  kept
          HG2   LYS+  38 - HB2   HIS   22  22.25 +/- 2.02   0.757% * 13.5016% (0.67  1.00   0.02   0.02) =   1.427%  kept
          HG2   LYS+  99 - HB2   HIS   22  23.04 +/- 1.89   0.621% * 11.7377% (0.58  1.00   0.02   0.02) =   1.018%  kept
          HG2   LYS+ 111 - HB2   HIS   22  30.26 +/- 3.06   0.143% *  7.2470% (0.36  1.00   0.02   0.02) =   0.145%
    Distance limit 3.90 A violated in 20 structures by 5.68 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.29, residual support = 15.5:
      O   HN    CYS   21 - HA    ALA   20   2.24 +/- 0.04  99.997% * 99.8294% (0.95  10.0   3.29  15.46) = 100.000%  kept
          HN    LYS+  33 - HA    ALA   20  13.77 +/- 0.70   0.002% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  17.36 +/- 1.17   0.001% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  19.85 +/- 0.90   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  17.94 +/- 0.61   0.000% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 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   8.27 +/- 0.73 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.17 A violated in 20 structures by 5.10 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.577, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22   5.87 +/- 0.89  97.994% * 18.5628% (0.57   0.02   0.02) =  97.636%  kept
          QG    GLN   32 - HA    HIS   22  14.51 +/- 1.26   1.152% * 27.4474% (0.85   0.02   0.02) =   1.698%  kept
          HB3   PHE   45 - HA    HIS   22  13.94 +/- 1.52   0.728% * 13.7211% (0.42   0.02   0.02) =   0.536%  kept
          HB    VAL  107 - HA    HIS   22  21.78 +/- 1.50   0.054% * 26.5475% (0.82   0.02   0.02) =   0.077%
          QE    LYS+ 112 - HA    HIS   22  21.98 +/- 2.10   0.072% * 13.7211% (0.42   0.02   0.02) =   0.053%
    Distance limit 3.28 A violated in 19 structures by 2.57 A, eliminated.
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.289, support = 0.0197, residual support = 0.0197:
        T HB2   LEU   73 - HA    HIS   22   9.17 +/- 1.28  47.172% * 28.4146% (0.26 10.00   0.02   0.02) =  87.420%  kept
          HB    VAL   83 - HA    HIS   22  11.73 +/- 1.00  12.764% *  8.1833% (0.76  1.00   0.02   0.02) =   6.812%  kept
          HD2   LYS+  74 - HA    HIS   22   9.69 +/- 1.65  36.858% *  1.7898% (0.17  1.00   0.02   0.02) =   4.302%  kept
          HG3   PRO   93 - HA    HIS   22  18.64 +/- 2.65   0.854% *  8.5362% (0.79  1.00   0.02   0.02) =   0.475%
          QD    LYS+  65 - HA    HIS   22  18.05 +/- 1.90   0.884% *  7.4210% (0.69  1.00   0.02   0.02) =   0.428%
          QD    LYS+ 102 - HA    HIS   22  22.30 +/- 0.99   0.262% *  9.8627% (0.91  1.00   0.02   0.02) =   0.169%
          QD    LYS+  38 - HA    HIS   22  22.28 +/- 0.97   0.253% *  9.4340% (0.87  1.00   0.02   0.02) =   0.156%
          HB3   MET   92 - HA    HIS   22  20.11 +/- 1.69   0.412% *  4.2014% (0.39  1.00   0.02   0.02) =   0.113%
          HB2   LYS+ 121 - HA    HIS   22  26.43 +/- 1.63   0.084% *  7.0200% (0.65  1.00   0.02   0.02) =   0.039%
          HB2   LEU  123 - HA    HIS   22  28.16 +/- 2.67   0.068% *  8.1833% (0.76  1.00   0.02   0.02) =   0.036%
          QD    LYS+ 106 - HA    HIS   22  21.06 +/- 1.71   0.347% *  1.5768% (0.15  1.00   0.02   0.02) =   0.036%
          HD2   LYS+ 111 - HA    HIS   22  29.52 +/- 3.02   0.042% *  5.3768% (0.50  1.00   0.02   0.02) =   0.015%
    Distance limit 3.43 A violated in 20 structures by 4.53 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  10.10 +/- 0.30  98.352% * 67.5049% (0.39   0.02   0.02) =  99.200%  kept
          HN    LEU   40 - HA    HIS   22  20.08 +/- 1.06   1.648% * 32.4951% (0.19   0.02   0.02) =   0.800%  kept
    Distance limit 3.56 A violated in 20 structures by 6.51 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 = 4.42, residual support = 17.2:
      O   HN    VAL   24 - HA    THR   23   2.66 +/- 0.18 100.000% *100.0000% (0.64  10.0   4.42  17.23) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2379 (9.23, 4.81, 31.51 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.727, support = 4.71, residual support = 18.5:
          HN    THR   23 - QG2   THR   23   3.09 +/- 0.61  85.789% * 62.7167% (0.73   4.74  18.44) =  98.796%  kept
          HD2   HIS   22 - QG2   THR   23   6.11 +/- 0.40   1.835% * 35.4519% (0.76   2.55  21.07) =   1.194%  kept
          HD1   TRP   49 - QB    ALA   91   7.40 +/- 2.97   9.880% *  0.0344% (0.09   0.02   0.02) =   0.006%
          HE3   TRP   27 - QG2   THR   23   7.22 +/- 1.14   1.664% *  0.0811% (0.22   0.02   0.73) =   0.002%
          HN    LEU   67 - QG2   THR   39   8.84 +/- 0.92   0.276% *  0.0804% (0.22   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   39  11.74 +/- 2.11   0.098% *  0.0557% (0.15   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   39   9.96 +/- 0.92   0.120% *  0.0277% (0.08   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   23  14.62 +/- 1.33   0.011% *  0.2503% (0.69   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   23  15.41 +/- 2.14   0.008% *  0.3269% (0.90   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    ALA   91  10.63 +/- 1.48   0.097% *  0.0263% (0.07   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   23  15.64 +/- 1.07   0.011% *  0.1243% (0.34   0.02   0.02) =   0.000%
          HD2   HIS   22 - QG2   THR   39  13.90 +/- 1.58   0.020% *  0.0620% (0.17   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG2   THR   39  11.75 +/- 1.46   0.064% *  0.0181% (0.05   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   91  10.91 +/- 1.71   0.073% *  0.0107% (0.03   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   THR   23  19.22 +/- 1.05   0.002% *  0.3612% (0.99   0.02   0.02) =   0.000%
          HN    THR   23 - QG2   THR   39  15.14 +/- 0.89   0.009% *  0.0589% (0.16   0.02   0.02) =   0.000%
          HN    THR   23 - QB    ALA   91  14.38 +/- 1.36   0.013% *  0.0278% (0.08   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  13.23 +/- 1.45   0.023% *  0.0085% (0.02   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   23  19.42 +/- 1.95   0.002% *  0.1013% (0.28   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  18.45 +/- 1.70   0.003% *  0.0293% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    ALA   91  20.33 +/- 0.94   0.002% *  0.0380% (0.10   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   39  23.68 +/- 1.25   0.001% *  0.0728% (0.20   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  19.54 +/- 1.03   0.002% *  0.0226% (0.06   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  22.48 +/- 1.60   0.001% *  0.0131% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2381 (2.46, 3.81, 65.84 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 1.83, residual support = 10.8:
          HB3   ASP-  86 - HA    VAL   83   2.88 +/- 0.75  99.869% * 91.4927% (0.34   1.83  10.83) =  99.996%  kept
          HG3   MET   96 - HA    VAL   83  11.02 +/- 1.84   0.114% *  2.9235% (1.00   0.02   0.53) =   0.004%
          HG2   GLU-  29 - HA    VAL   83  14.58 +/- 1.33   0.016% *  0.6509% (0.22   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    VAL   83  22.10 +/- 1.45   0.001% *  2.6987% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    VAL   83  24.49 +/- 1.32   0.001% *  2.2342% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2382 (2.93, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 2.25, residual support = 10.8:
        T HB2   ASP-  86 - HA    VAL   83   2.64 +/- 0.68  99.903% * 99.6258% (0.98 10.00   2.25  10.83) = 100.000%  kept
          HB2   ASN   28 - HA    VAL   83  11.03 +/- 1.26   0.073% *  0.0912% (0.90  1.00   0.02   0.29) =   0.000%
          HB2   ASP-  78 - HA    VAL   83  12.78 +/- 0.50   0.017% *  0.0283% (0.28  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    VAL   83  17.20 +/- 1.29   0.003% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  18.02 +/- 1.62   0.003% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    VAL   83  24.03 +/- 2.19   0.000% *  0.0996% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2383 (6.61, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 4.7, residual support = 87.5:
      O   HN    VAL   83 - HA    VAL   83   2.79 +/- 0.02  99.996% * 99.7575% (0.57  10.0   4.70  87.48) = 100.000%  kept
          HN    CYS   50 - HA    VAL   83  17.77 +/- 1.55   0.002% *  0.1700% (0.97   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   83  17.33 +/- 1.43   0.002% *  0.0724% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2384 (8.31, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.25, residual support = 10.8:
          HN    ASP-  86 - HA    VAL   83   2.94 +/- 0.13  99.954% * 97.0740% (0.95   2.25  10.83) = 100.000%  kept
          HN    GLN   30 - HA    VAL   83  12.95 +/- 1.26   0.018% *  0.8941% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    VAL   83  12.37 +/- 1.30   0.023% *  0.5164% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    VAL   83  16.21 +/- 1.56   0.004% *  0.4090% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    VAL   83  22.24 +/- 4.39   0.001% *  0.4799% (0.53   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    VAL   83  26.08 +/- 1.75   0.000% *  0.6266% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.724, support = 4.29, residual support = 15.3:
          HD1   TRP   87 - HA    VAL   83   4.42 +/- 0.80  93.695% * 87.9532% (0.73   4.31  15.32) =  99.473%  kept
          HE3   TRP   87 - HA    VAL   83   7.65 +/- 0.49   4.229% * 10.0992% (0.28   1.29  15.32) =   0.516%  kept
          HN    TRP   27 - HA    VAL   83  10.18 +/- 1.27   1.319% *  0.5321% (0.95   0.02   3.52) =   0.008%
          HN    ALA   91 - HA    VAL   83  10.96 +/- 0.49   0.631% *  0.3639% (0.65   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HA    VAL   83  16.17 +/- 2.08   0.079% *  0.1113% (0.20   0.02   0.02) =   0.000%
          HN    THR   39 - HA    VAL   83  20.68 +/- 0.92   0.015% *  0.4299% (0.76   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    VAL   83  20.00 +/- 1.15   0.020% *  0.1919% (0.34   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   83  20.98 +/- 1.27   0.011% *  0.3185% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 8 structures by 0.69 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.396, support = 2.08, residual support = 10.2:
          QD2   LEU   80 - HA    VAL   24   2.55 +/- 0.63  78.923% * 69.5299% (0.41   2.14  10.18) =  91.897%  kept
          QD1   LEU   80 - HA    VAL   24   3.84 +/- 1.01  19.705% * 24.4729% (0.22   1.39  10.18) =   8.076%  kept
          QD1   LEU   73 - HA    VAL   24   6.49 +/- 1.33   1.164% *  1.2659% (0.80   0.02   0.02) =   0.025%
          QG2   VAL   41 - HA    VAL   24   8.75 +/- 1.41   0.120% *  0.5933% (0.38   0.02   0.02) =   0.001%
          QD2   LEU   98 - HA    VAL   24   9.26 +/- 1.36   0.079% *  0.3520% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   24  15.67 +/- 2.29   0.003% *  1.2659% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    VAL   24  16.48 +/- 2.40   0.002% *  1.4594% (0.92   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   24  16.55 +/- 1.26   0.002% *  0.3520% (0.22   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   24  18.17 +/- 1.85   0.001% *  0.7088% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 63.1:
      O T HB    VAL   24 - HA    VAL   24   2.66 +/- 0.22  99.963% * 98.9275% (1.00  10.0 10.00   3.97  63.10) = 100.000%  kept
          QB    GLN   32 - HA    VAL   24  10.30 +/- 0.37   0.034% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - HA    VAL   24  22.97 +/- 1.49   0.000% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    VAL   24  18.71 +/- 1.32   0.001% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  20.75 +/- 2.06   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    VAL   24  23.38 +/- 0.86   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2388 (2.99, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.0, residual support = 25.0:
        T HB3   TRP   27 - HA    VAL   24   2.90 +/- 0.36  99.984% * 99.7179% (1.00 10.00   3.00  25.02) = 100.000%  kept
          HB2   PHE   97 - HA    VAL   24  16.71 +/- 1.03   0.004% *  0.0991% (0.99  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    VAL   24  17.03 +/- 2.01   0.004% *  0.0647% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    VAL   24  16.27 +/- 1.12   0.004% *  0.0448% (0.45  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    VAL   24  17.74 +/- 1.23   0.003% *  0.0486% (0.49  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    VAL   24  19.72 +/- 1.09   0.001% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.04, residual support = 63.1:
      O   HN    VAL   24 - HA    VAL   24   2.75 +/- 0.05 100.000% *100.0000% (0.97  10.0   4.04  63.10) = 100.000%  kept
    Distance limit 3.39 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 = 0.88, support = 5.65, residual support = 31.4:
      O   HN    GLU-  25 - HA    VAL   24   3.57 +/- 0.02  56.446% * 86.1334% (0.92  10.0   5.66  33.68) =  89.052%  kept
          HN    ASN   28 - HA    VAL   24   3.77 +/- 0.43  43.380% * 13.7783% (0.53   1.0   5.61  13.06) =  10.948%  kept
          HN    ASP-  44 - HA    VAL   24   9.47 +/- 0.86   0.174% *  0.0883% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 2.96, residual support = 25.0:
          HN    TRP   27 - HA    VAL   24   3.01 +/- 0.16  99.806% * 94.5266% (0.45   2.96  25.02) =  99.997%  kept
          HD1   TRP   87 - HA    VAL   24   9.48 +/- 1.14   0.171% *  1.4142% (0.99   0.02   0.02) =   0.003%
          HN    GLU-  36 - HA    VAL   24  15.69 +/- 0.42   0.005% *  1.2376% (0.87   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   24  16.73 +/- 2.23   0.005% *  0.9801% (0.69   0.02   0.02) =   0.000%
          HN    THR   39 - HA    VAL   24  16.91 +/- 0.73   0.003% *  1.3985% (0.98   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    VAL   24  15.02 +/- 0.99   0.008% *  0.2499% (0.18   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   24  18.34 +/- 0.88   0.002% *  0.1931% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2392 (1.11, 2.11, 32.16 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.24, residual support = 63.1:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.01  99.973% * 98.9402% (0.98  10.0 10.00   3.24  63.10) = 100.000%  kept
          HG13  ILE  119 - HB2   PRO   68  13.46 +/- 3.20   0.010% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL   24  11.74 +/- 0.63   0.004% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24   9.92 +/- 0.74   0.011% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  21.29 +/- 1.75   0.000% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.04 +/- 2.00   0.001% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  17.75 +/- 1.72   0.000% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  21.22 +/- 3.40   0.000% *  0.0597% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.12 +/- 1.31   0.000% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  16.29 +/- 1.56   0.001% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  22.62 +/- 2.48   0.000% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  26.45 +/- 3.32   0.000% *  0.1009% (1.00   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 2393 (1.07, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.22, residual support = 63.1:
      O   QG2   VAL   24 - HB    VAL   24   2.12 +/- 0.02  99.978% * 99.6470% (1.00  10.0   3.22  63.10) = 100.000%  kept
          HG    LEU   63 - HB2   PRO   68  10.90 +/- 2.31   0.020% *  0.0579% (0.58   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.04 +/- 2.00   0.001% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HG    LEU   63 - HB    VAL   24  21.55 +/- 2.95   0.000% *  0.0979% (0.98   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  17.75 +/- 1.72   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   PRO   68  21.06 +/- 1.21   0.000% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  22.14 +/- 3.44   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  25.56 +/- 2.82   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 0.816, support = 1.95, residual support = 8.03:
          QD2   LEU   80 - HB    VAL   24   2.57 +/- 0.78  68.820% * 58.1689% (0.80   2.14  10.18) =  77.315%  kept
          QG1   VAL   83 - HB    VAL   24   3.26 +/- 0.95  30.799% * 38.1341% (0.87   1.29   0.68) =  22.683%  kept
          QD1   LEU   63 - HB2   PRO   68   9.98 +/- 2.21   0.229% *  0.1651% (0.24   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB    VAL   24   8.56 +/- 1.31   0.068% *  0.2792% (0.41   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB    VAL   24   9.51 +/- 1.19   0.040% *  0.1693% (0.25   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   PRO   68  14.27 +/- 2.71   0.020% *  0.3070% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   PRO   68  13.05 +/- 1.92   0.007% *  0.3876% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   PRO   68  12.86 +/- 1.16   0.013% *  0.1651% (0.24   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   24  17.89 +/- 1.36   0.002% *  0.6553% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   24  19.22 +/- 1.92   0.001% *  0.5189% (0.76   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   PRO   68  19.59 +/- 1.34   0.001% *  0.3216% (0.47   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   24  17.11 +/- 2.53   0.001% *  0.2792% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   PRO   68  20.85 +/- 1.19   0.001% *  0.3484% (0.51   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   PRO   68  21.29 +/- 1.25   0.001% *  0.1002% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 62.8:
      O T HA    VAL   24 - HB    VAL   24   2.66 +/- 0.22  90.036% * 89.0301% (0.90  10.0 10.00   3.97  63.10) =  98.738%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.91 +/- 0.16   9.960% * 10.2842% (0.10  10.0  1.00   5.46  36.54) =   1.262%  kept
          HA    LYS+  38 - HB2   PRO   68  15.07 +/- 1.21   0.003% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  22.97 +/- 1.49   0.000% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  19.93 +/- 0.90   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  23.93 +/- 1.73   0.000% *  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 2396 (2.10, 1.10, 23.10 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.24, residual support = 63.1:
      O T HB    VAL   24 - QG1   VAL   24   2.11 +/- 0.01  99.986% * 98.6521% (0.92  10.0 10.00   3.24  63.10) = 100.000%  kept
          QB    GLN   32 - QG1   VAL   24   9.63 +/- 0.69   0.012% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - QG1   VAL   24  21.29 +/- 1.75   0.000% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG1   VAL   24  16.89 +/- 1.99   0.001% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  17.78 +/- 1.99   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  17.96 +/- 1.61   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG1   VAL   24  21.03 +/- 1.42   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  22.87 +/- 3.31   0.000% *  0.0238% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2397 (8.80, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.344, support = 5.8, residual support = 32.1:
      O   HN    ASN   69 - HB2   PRO   68   3.58 +/- 0.91  51.046% * 43.9991% (0.20  10.0   5.85  31.56) =  58.163%  kept
          HN    GLU-  25 - HB    VAL   24   3.63 +/- 0.43  45.951% * 33.7680% (0.53   1.0   5.89  33.68) =  40.183%  kept
          HN    ASN   28 - HB    VAL   24   5.68 +/- 0.41   2.934% * 21.7751% (0.92   1.0   2.16  13.06) =   1.654%  kept
          HN    ASP-  44 - HB    VAL   24  11.09 +/- 1.28   0.063% *  0.1235% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  16.60 +/- 1.05   0.005% *  0.0730% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.04 +/- 1.32   0.001% *  0.1191% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  23.54 +/- 1.21   0.001% *  0.0744% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  25.20 +/- 1.42   0.000% *  0.0679% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.37, residual support = 63.1:
      O   HN    VAL   24 - HB    VAL   24   2.24 +/- 0.25 100.000% * 99.9409% (0.38  10.0   4.37  63.10) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  24.86 +/- 1.52   0.000% *  0.0591% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 3.79, residual support = 63.1:
          HN    VAL   24 - QG1   VAL   24   2.57 +/- 0.55 100.000% *100.0000% (0.73   3.79  63.10) = 100.000%  kept
    Distance limit 3.13 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2400 (8.80, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.02, residual support = 127.1:
      O   HN    GLU-  25 - HB2   GLU-  25   2.86 +/- 0.35  97.962% * 99.5455% (0.41  10.0   6.02 127.10) =  99.995%  kept
          HN    ASN   28 - HB2   GLU-  25   5.65 +/- 0.12   2.028% *  0.2373% (0.98   1.0   0.02   2.64) =   0.005%
          HN    ASP-  44 - HB2   GLU-  25  13.98 +/- 0.83   0.009% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   GLU-  25  23.60 +/- 1.19   0.000% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 5.87, residual support = 127.1:
      O   HN    GLU-  25 - HB3   GLU-  25   2.44 +/- 0.62  98.429% * 99.5455% (0.41  10.0   5.87 127.10) =  99.996%  kept
          HN    ASN   28 - HB3   GLU-  25   5.88 +/- 0.21   1.566% *  0.2373% (0.98   1.0   0.02   2.64) =   0.004%
          HN    ASP-  44 - HB3   GLU-  25  14.31 +/- 0.87   0.005% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  24.38 +/- 1.14   0.000% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2402 (8.14, 2.01, 28.95 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 5.26, residual support = 27.9:
          HN    THR   26 - HB3   GLU-  25   3.34 +/- 0.14  99.996% * 98.7451% (0.34   5.26  27.86) = 100.000%  kept
          HN    LEU   71 - HB3   GLU-  25  18.72 +/- 0.87   0.003% *  0.8416% (0.76   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   GLU-  25  30.50 +/- 1.31   0.000% *  0.4133% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 2.95:
          HN    SER   85 - HA    SER   82   3.54 +/- 0.16  98.544% * 92.1173% (0.26   2.96   2.96) =  99.986%  kept
          HN    GLN   32 - HA    GLU-  25   9.30 +/- 0.60   0.342% *  2.4019% (1.00   0.02   0.02) =   0.009%
          HN    LEU   80 - HA    SER   82   7.96 +/- 0.22   0.776% *  0.2401% (0.10   0.02   0.17) =   0.002%
          HN    LEU   80 - HA    GLU-  25   9.97 +/- 0.72   0.238% *  0.7413% (0.31   0.02   0.02) =   0.002%
          HN    SER   85 - HA    GLU-  25  13.50 +/- 1.18   0.037% *  1.9233% (0.80   0.02   0.02) =   0.001%
          HN    ALA   34 - HA    GLU-  25  12.75 +/- 0.56   0.049% *  0.9874% (0.41   0.02   0.02) =   0.001%
          HN    GLN   32 - HA    SER   82  18.12 +/- 1.30   0.006% *  0.7781% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   82  20.75 +/- 1.13   0.003% *  0.3199% (0.13   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    GLU-  25  23.66 +/- 1.57   0.001% *  0.3706% (0.15   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    SER   82  20.12 +/- 1.29   0.003% *  0.1201% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.432, support = 5.76, residual support = 122.5:
      O   HN    GLU-  25 - HA    GLU-  25   2.69 +/- 0.04  89.988% * 74.2186% (0.41  10.0   5.87 127.10) =  96.340%  kept
          HN    ASN   28 - HA    GLU-  25   3.90 +/- 0.19   9.957% * 25.4857% (0.98   1.0   2.88   2.64) =   3.660%  kept
          HN    GLU-  25 - HA    SER   82  10.48 +/- 1.14   0.036% *  0.0240% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HA    SER   82  12.47 +/- 1.20   0.011% *  0.0573% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    GLU-  25  13.82 +/- 0.63   0.005% *  0.0809% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  15.37 +/- 0.65   0.003% *  0.0262% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  23.55 +/- 1.17   0.000% *  0.0809% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  29.15 +/- 0.90   0.000% *  0.0262% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2405 (7.59, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 0.31, support = 4.22, residual support = 8.71:
          HN    ALA   84 - HA    SER   82   4.16 +/- 0.11  64.784% * 54.7163% (0.20   5.35  11.04) =  72.257%  kept
          HD21  ASN   28 - HA    GLU-  25   4.63 +/- 0.12  33.961% * 40.0654% (0.61   1.27   2.64) =  27.736%  kept
          HZ2   TRP   87 - HA    GLU-  25  11.31 +/- 1.57   0.218% *  0.4282% (0.41   0.02   0.02) =   0.002%
          HN    ALA   84 - HA    GLU-  25  11.86 +/- 1.00   0.133% *  0.6318% (0.61   0.02   0.02) =   0.002%
          HD21  ASN   28 - HA    SER   82  10.85 +/- 1.72   0.361% *  0.2047% (0.20   0.02   0.02) =   0.002%
          HZ2   TRP   87 - HA    SER   82  10.12 +/- 0.47   0.338% *  0.1387% (0.13   0.02   0.02) =   0.001%
          HE21  GLN   32 - HA    GLU-  25  11.69 +/- 1.51   0.192% *  0.2319% (0.22   0.02   0.02) =   0.001%
          HN    LEU   63 - HA    GLU-  25  23.66 +/- 1.30   0.002% *  1.0324% (0.99   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    GLU-  25  25.47 +/- 1.28   0.001% *  0.9853% (0.95   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    SER   82  23.36 +/- 1.24   0.002% *  0.3192% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    GLU-  25  28.35 +/- 2.04   0.001% *  0.6318% (0.61   0.02   0.02) =   0.000%
          HN    LEU   63 - HA    SER   82  25.90 +/- 1.02   0.001% *  0.3344% (0.32   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    SER   82  24.48 +/- 1.83   0.002% *  0.2047% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    SER   82  21.71 +/- 2.14   0.004% *  0.0751% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.977, support = 0.75, residual support = 2.59:
          HB2   ASN   28 - HA    GLU-  25   3.75 +/- 0.48  91.805% * 72.2526% (0.99   0.75   2.64) =  98.083%  kept
          HB2   ASP-  86 - HA    SER   82   6.53 +/- 0.89   7.415% * 17.3834% (0.24   0.76   0.02) =   1.906%  kept
          QE    LYS+  33 - HA    GLU-  25  11.39 +/- 1.65   0.177% *  1.9396% (1.00   0.02   0.02) =   0.005%
          HB2   ASP-  86 - HA    GLU-  25  12.37 +/- 1.44   0.146% *  1.4116% (0.73   0.02   0.02) =   0.003%
          HB2   ASP-  76 - HA    GLU-  25  11.68 +/- 1.23   0.128% *  0.3847% (0.20   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    SER   82  11.77 +/- 0.35   0.104% *  0.3819% (0.20   0.02   0.02) =   0.001%
          HB2   ASN   28 - HA    SER   82  13.40 +/- 1.22   0.055% *  0.6241% (0.32   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    GLU-  25  15.25 +/- 0.93   0.023% *  1.1791% (0.61   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    GLU-  25  14.43 +/- 1.05   0.028% *  0.7296% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    SER   82  11.80 +/- 0.51   0.106% *  0.1246% (0.06   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  25  22.63 +/- 1.91   0.002% *  1.7945% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    SER   82  20.12 +/- 1.50   0.005% *  0.6283% (0.32   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    SER   82  21.85 +/- 1.53   0.003% *  0.2363% (0.12   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    SER   82  26.68 +/- 2.25   0.001% *  0.5813% (0.30   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  25  23.45 +/- 1.12   0.002% *  0.2631% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    SER   82  29.51 +/- 1.09   0.000% *  0.0852% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.321, support = 2.84, residual support = 11.0:
          QB    ALA   84 - HA    SER   82   4.43 +/- 0.16  83.618% * 79.3304% (0.32   2.85  11.04) =  99.896%  kept
          HB3   LEU   80 - HA    SER   82   6.32 +/- 0.54  11.590% *  0.2738% (0.16   0.02   0.17) =   0.048%
          HB3   LEU   80 - HA    GLU-  25   8.72 +/- 1.22   2.223% *  0.8452% (0.49   0.02   0.02) =   0.028%
          HB2   LEU   31 - HA    GLU-  25   9.07 +/- 0.62   1.277% *  0.5923% (0.34   0.02   0.02) =   0.011%
          QB    ALA   84 - HA    GLU-  25  11.78 +/- 0.75   0.253% *  1.7210% (0.99   0.02   0.02) =   0.007%
          HB3   LEU   73 - HA    GLU-  25  10.91 +/- 0.96   0.435% *  0.7139% (0.41   0.02   0.02) =   0.005%
          HG3   LYS+  33 - HA    GLU-  25  12.65 +/- 1.93   0.248% *  0.4828% (0.28   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    GLU-  25  16.00 +/- 1.37   0.044% *  1.6426% (0.95   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    GLU-  25  16.66 +/- 1.04   0.033% *  1.2609% (0.73   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    GLU-  25  16.73 +/- 0.64   0.030% *  0.5923% (0.34   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    SER   82  17.03 +/- 1.62   0.030% *  0.5321% (0.31   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  25  20.94 +/- 1.30   0.008% *  1.7326% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    SER   82  17.94 +/- 1.25   0.021% *  0.5612% (0.32   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    SER   82  17.19 +/- 0.98   0.027% *  0.4085% (0.24   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    GLU-  25  20.22 +/- 2.30   0.013% *  0.7785% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    SER   82  15.88 +/- 0.70   0.042% *  0.2312% (0.13   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    SER   82  16.19 +/- 1.15   0.040% *  0.1919% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    GLU-  25  21.71 +/- 1.42   0.007% *  1.1233% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU-  25  22.73 +/- 1.84   0.005% *  1.0532% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    SER   82  19.51 +/- 1.71   0.013% *  0.3639% (0.21   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    SER   82  20.53 +/- 2.44   0.011% *  0.2522% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU-  25  27.82 +/- 3.56   0.002% *  1.5062% (0.87   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    SER   82  20.44 +/- 0.71   0.009% *  0.1919% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    GLU-  25  24.92 +/- 1.60   0.003% *  0.5923% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    SER   82  21.89 +/- 1.97   0.007% *  0.1564% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    SER   82  24.84 +/- 1.44   0.003% *  0.3412% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  25  30.34 +/- 1.79   0.001% *  0.9136% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    SER   82  27.68 +/- 2.78   0.002% *  0.2959% (0.17   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    SER   82  30.02 +/- 2.54   0.001% *  0.4879% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU-  25  30.60 +/- 2.53   0.001% *  0.4828% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    SER   82  26.12 +/- 2.84   0.003% *  0.1564% (0.09   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    SER   82  29.17 +/- 1.89   0.001% *  0.1919% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 12 structures by 0.92 A, kept.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.556, support = 0.0199, residual support = 0.0199:
          QG2   VAL  108 - HA    SER   82  15.56 +/- 1.95  48.676% *  7.4304% (0.30   0.02   0.02) =  36.154%  kept
          QG2   VAL  108 - HA    GLU-  25  19.36 +/- 1.40  12.371% * 22.9376% (0.92   0.02   0.02) =  28.364%  kept
          HB2   LEU  104 - HA    GLU-  25  21.56 +/- 0.95   6.723% * 19.8967% (0.80   0.02   0.02) =  13.372%  kept
          QD1   ILE  119 - HA    GLU-  25  21.45 +/- 1.64   7.414% * 12.0948% (0.49   0.02   0.02) =   8.964%  kept
          HB2   LEU  104 - HA    SER   82  22.30 +/- 1.38   5.790% *  6.4453% (0.26   0.02   0.02) =   3.730%  kept
          HG    LEU   63 - HA    GLU-  25  23.56 +/- 2.62   5.021% *  5.5320% (0.22   0.02   0.02) =   2.776%  kept
          QD1   ILE  119 - HA    SER   82  21.70 +/- 1.63   6.937% *  3.9180% (0.16   0.02   0.02) =   2.717%  kept
          HG3   LYS+ 112 - HA    GLU-  25  29.26 +/- 2.23   1.307% * 15.0711% (0.61   0.02   0.02) =   1.969%  kept
          HG3   LYS+ 112 - HA    SER   82  26.62 +/- 3.19   2.983% *  4.8821% (0.20   0.02   0.02) =   1.456%  kept
          HG    LEU   63 - HA    SER   82  25.59 +/- 2.16   2.779% *  1.7920% (0.07   0.02   0.02) =   0.498%
    Distance limit 3.88 A violated in 20 structures by 9.78 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.24, support = 1.62, residual support = 6.96:
          HB2   GLU-  29 - HA    THR   26   2.35 +/- 0.40  95.665% * 13.9664% (0.22   0.98   1.54) =  79.410%  kept
          HB2   GLU-  25 - HA    THR   26   4.18 +/- 0.32   4.323% * 80.1293% (0.31   4.07  27.86) =  20.590%  kept
          HB3   ASP-  76 - HA    THR   26  12.97 +/- 1.10   0.005% *  1.1429% (0.90   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    THR   26  14.91 +/- 0.85   0.002% *  1.1429% (0.90   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    THR   26  14.72 +/- 1.47   0.003% *  0.5239% (0.41   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    THR   26  18.57 +/- 1.79   0.001% *  1.2055% (0.95   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    THR   26  17.80 +/- 1.07   0.001% *  0.6203% (0.49   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    THR   26  22.51 +/- 1.30   0.000% *  0.8754% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    THR   26  23.83 +/- 1.32   0.000% *  0.3933% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.52, residual support = 35.2:
      O   HN    THR   26 - HA    THR   26   2.87 +/- 0.02  99.994% * 99.6670% (0.34  10.0   4.52  35.22) = 100.000%  kept
          HN    LEU   71 - HA    THR   26  14.58 +/- 0.89   0.006% *  0.2233% (0.76   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    THR   26  28.96 +/- 1.04   0.000% *  0.1097% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.499, support = 1.32, residual support = 3.6:
          HN    GLN   30 - HA    THR   26   4.02 +/- 0.50  23.308% * 78.7755% (0.69   1.54   5.01) =  59.512%  kept
          HN    GLU-  29 - HA    THR   26   3.20 +/- 0.22  76.676% * 16.2910% (0.22   0.98   1.54) =  40.488%  kept
          HN    GLU-  14 - HA    THR   26  15.82 +/- 2.01   0.008% *  1.4571% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   26  15.99 +/- 1.24   0.005% *  0.9016% (0.61   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   26  17.92 +/- 1.28   0.003% *  1.2416% (0.84   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   26  22.28 +/- 3.10   0.001% *  1.3331% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.512, support = 2.03, residual support = 9.82:
          HN    THR   23 - HB    THR   26   3.89 +/- 0.11  52.301% * 72.8391% (0.38   2.52  12.60) =  77.743%  kept
          HD2   HIS   22 - HB    THR   26   4.14 +/- 1.03  47.666% * 22.8800% (0.99   0.30   0.12) =  22.256%  kept
          HD21  ASN   35 - HB    THR   26  15.52 +/- 0.91   0.013% *  1.0565% (0.69   0.02   0.02) =   0.000%
          QE    PHE   95 - HB    THR   26  16.06 +/- 1.73   0.013% *  0.5246% (0.34   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB    THR   26  20.46 +/- 2.32   0.004% *  1.5244% (0.99   0.02   0.02) =   0.000%
          HN    LEU   67 - HB    THR   26  19.52 +/- 1.18   0.003% *  1.1754% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2413 (7.74, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.49, residual support = 22.6:
          HN    TRP   27 - HB    THR   26   3.09 +/- 0.18  99.960% * 98.1009% (0.84   4.49  22.59) = 100.000%  kept
          HD1   TRP   87 - HB    THR   26  14.42 +/- 1.22   0.014% *  0.4535% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HB    THR   26  16.42 +/- 0.52   0.005% *  0.4688% (0.90   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    THR   26  14.92 +/- 0.49   0.009% *  0.2545% (0.49   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    THR   26  17.86 +/- 1.06   0.003% *  0.2149% (0.41   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   26  18.93 +/- 1.32   0.002% *  0.2545% (0.49   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    THR   26  17.24 +/- 1.36   0.004% *  0.0916% (0.18   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   26  19.53 +/- 2.14   0.002% *  0.1614% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 35.2:
      O   HN    THR   26 - HB    THR   26   2.11 +/- 0.09  99.999% * 99.9615% (0.80  10.0   4.16  35.22) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  14.70 +/- 0.77   0.001% *  0.0385% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.383, support = 0.655, residual support = 1.91:
          HA    CYS   21 - QG2   THR   26   2.52 +/- 1.60  86.723% * 25.1836% (0.18   0.75   2.68) =  69.915%  kept
          HA    ALA   20 - QG2   THR   26   5.25 +/- 0.65  12.959% * 72.5055% (0.87   0.44   0.13) =  30.078%  kept
          HA    LEU   71 - QG2   THR   26   9.20 +/- 0.68   0.292% *  0.5917% (0.15   0.02   0.02) =   0.006%
          HA    LYS+ 102 - QG2   THR   26  15.60 +/- 1.64   0.026% *  1.7192% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 2 structures by 0.20 A, kept.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.88, support = 0.02, residual support = 0.02:
          HB2   GLU-  14 - QG2   THR   26  10.91 +/- 1.84  61.046% * 18.7520% (0.92   0.02   0.02) =  69.545%  kept
          HG2   MET   11 - QG2   THR   26  15.56 +/- 3.27  12.637% * 19.2160% (0.95   0.02   0.02) =  14.753%  kept
          HB2   PRO   93 - QG2   THR   26  15.04 +/- 1.81   9.961% * 12.3210% (0.61   0.02   0.02) =   7.456%  kept
          HG3   PRO   52 - QG2   THR   26  19.63 +/- 2.25   2.948% * 17.6208% (0.87   0.02   0.02) =   3.156%  kept
          HG2   PRO   58 - QG2   THR   26  19.06 +/- 1.10   2.102% * 17.6208% (0.87   0.02   0.02) =   2.250%  kept
          HB2   PRO   68 - QG2   THR   26  16.25 +/- 1.53   6.799% *  3.1343% (0.15   0.02   0.02) =   1.295%  kept
          HB2   ARG+  54 - QG2   THR   26  19.67 +/- 1.91   2.153% *  6.2698% (0.31   0.02   0.02) =   0.820%  kept
          HB    VAL  108 - QG2   THR   26  19.14 +/- 1.90   2.354% *  5.0653% (0.25   0.02   0.02) =   0.724%  kept
    Distance limit 3.39 A violated in 20 structures by 6.28 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 = 5.01:
        T HG2   GLN   30 - QG2   THR   26   2.98 +/- 0.62  99.212% * 99.5048% (0.99 10.00   0.75   5.01) =  99.998%  kept
          HB3   ASN   28 - QG2   THR   26   7.27 +/- 0.21   0.780% *  0.2584% (0.97  1.00   0.02   0.02) =   0.002%
          HB3   HIS  122 - QG2   THR   26  17.97 +/- 2.69   0.006% *  0.0744% (0.28  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QG2   THR   26  19.15 +/- 2.19   0.003% *  0.1624% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.894, support = 3.43, residual support = 13.6:
          QD2   LEU   80 - HB3   TRP   27   3.66 +/- 1.30  52.988% * 41.7498% (0.80   3.40  14.10) =  50.626%  kept
          QD1   LEU   73 - HB3   TRP   27   4.25 +/- 1.28  39.718% * 53.6457% (1.00   3.49  13.15) =  48.760%  kept
          QG1   VAL   83 - HB3   TRP   27   5.18 +/- 1.39   7.260% *  3.6934% (0.18   1.37   3.52) =   0.614%  kept
          QD1   LEU   63 - HB3   TRP   27  13.66 +/- 2.17   0.014% *  0.3070% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   TRP   27  14.35 +/- 2.33   0.011% *  0.1738% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   TRP   27  14.95 +/- 1.10   0.006% *  0.1738% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   TRP   27  16.52 +/- 1.89   0.003% *  0.2564% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 25.0:
        T HA    VAL   24 - HB3   TRP   27   2.90 +/- 0.36  99.739% * 98.5200% (0.76 10.00   3.00  25.02) = 100.000%  kept
        T HA    LYS+  38 - HB3   TRP   27  15.96 +/- 0.62   0.005% *  1.2636% (0.98 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   TRP   27   8.95 +/- 1.54   0.249% *  0.0174% (0.14  1.00   0.02   3.52) =   0.000%
        T HA    GLU- 100 - HB3   TRP   27  15.15 +/- 1.67   0.008% *  0.1989% (0.15 10.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 25.0:
          HA    VAL   24 - HB2   TRP   27   1.88 +/- 0.29  99.999% * 99.1878% (0.97   3.00  25.02) = 100.000%  kept
          HA    LYS+  38 - HB2   TRP   27  16.20 +/- 0.63   0.000% *  0.5487% (0.80   0.02   0.02) =   0.000%
          HA    ALA   61 - HB2   TRP   27  16.99 +/- 1.09   0.000% *  0.0927% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB2   TRP   27  20.28 +/- 1.77   0.000% *  0.1709% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.931, support = 3.53, residual support = 13.4:
          QD2   LEU   80 - HB2   TRP   27   3.62 +/- 0.79  54.372% * 47.6861% (0.98   3.62  14.10) =  67.540%  kept
          QD1   LEU   73 - HB2   TRP   27   5.22 +/- 1.29  24.808% * 43.6967% (0.90   3.62  13.15) =  28.239%  kept
          QG1   VAL   83 - HB2   TRP   27   4.65 +/- 1.14  20.771% *  7.8013% (0.38   1.54   3.52) =   4.221%  kept
          QD1   LEU   63 - HB2   TRP   27  14.94 +/- 2.22   0.021% *  0.2414% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   TRP   27  15.48 +/- 1.07   0.009% *  0.2248% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   TRP   27  15.61 +/- 2.36   0.015% *  0.0831% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   TRP   27  17.72 +/- 1.94   0.004% *  0.2667% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 3.12, residual support = 16.8:
          QD1   LEU   31 - HA    ASN   28   2.80 +/- 0.71 100.000% *100.0000% (0.76   3.12  16.75) = 100.000%  kept
    Distance limit 3.63 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.223, support = 5.27, residual support = 94.8:
      O T HA    GLU-  29 - HG3   GLU-  29   3.51 +/- 0.17  99.735% * 97.0747% (0.22  10.0 10.00   5.27  94.79) =  99.997%  kept
        T HA    LYS+  33 - HG3   GLU-  29  10.17 +/- 0.71   0.194% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HB2   SER   37 - HG3   GLU-  29  15.79 +/- 0.76   0.014% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLU-  29  14.00 +/- 1.46   0.029% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   GLU-  29  18.30 +/- 1.03   0.006% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLU-  29  15.93 +/- 1.48   0.018% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLU-  29  20.51 +/- 1.61   0.003% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   GLU-  29  29.30 +/- 1.91   0.000% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.66, residual support = 108.1:
      O   HD1   TRP   27 - HB2   TRP   27   3.17 +/- 0.52  99.503% * 99.7286% (0.98  10.0   3.66 108.10) = 100.000%  kept
          HE21  GLN   30 - HB2   TRP   27   8.24 +/- 1.41   0.488% *  0.0939% (0.92   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HB2   TRP   27  17.48 +/- 1.79   0.008% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   TRP   27  23.02 +/- 2.16   0.001% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2426 (7.74, 3.56, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.47, residual support = 108.1:
      O   HN    TRP   27 - HB2   TRP   27   2.27 +/- 0.12  99.965% * 99.5184% (0.76  10.0   5.47 108.10) = 100.000%  kept
          HD1   TRP   87 - HB2   TRP   27   9.91 +/- 1.21   0.023% *  0.1202% (0.92   1.0   0.02   6.12) =   0.000%
          HN    THR   39 - HB2   TRP   27  15.22 +/- 0.52   0.001% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  14.06 +/- 0.35   0.002% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  12.29 +/- 1.41   0.006% *  0.0176% (0.14   1.0   0.02   6.12) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  15.52 +/- 2.11   0.001% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   TRP   27  15.83 +/- 1.10   0.001% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  17.80 +/- 0.95   0.000% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2427 (8.81, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 50.4:
          HN    ASN   28 - HB2   TRP   27   2.75 +/- 0.15  95.499% * 99.5642% (0.92   5.59  50.42) =  99.997%  kept
          HN    GLU-  25 - HB2   TRP   27   4.66 +/- 0.23   4.391% *  0.0595% (0.15   0.02   0.18) =   0.003%
          HN    ASP-  44 - HB2   TRP   27   8.89 +/- 0.85   0.109% *  0.0675% (0.18   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   TRP   27  19.70 +/- 1.22   0.001% *  0.3088% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 108.1:
      O   HE3   TRP   27 - HB3   TRP   27   3.00 +/- 0.27  96.379% * 99.4719% (0.76  10.0   4.50 108.10) =  99.995%  kept
          HN    THR   23 - HB3   TRP   27   5.52 +/- 0.61   3.314% *  0.1276% (0.98   1.0   0.02   0.73) =   0.004%
          HD2   HIS   22 - HB3   TRP   27   8.39 +/- 0.91   0.280% *  0.0290% (0.22   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   TRP   27  13.01 +/- 1.65   0.022% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   27  17.98 +/- 1.43   0.003% *  0.0894% (0.69   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   TRP   27  20.71 +/- 1.32   0.001% *  0.1087% (0.84   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  18.59 +/- 1.90   0.002% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 108.1:
      O   HD1   TRP   27 - HB3   TRP   27   3.57 +/- 0.15  97.099% * 99.7286% (0.98  10.0   4.09 108.10) =  99.997%  kept
          HE21  GLN   30 - HB3   TRP   27   7.42 +/- 1.38   2.883% *  0.0939% (0.92   1.0   0.02   0.02) =   0.003%
          QD    PHE   59 - HB3   TRP   27  16.10 +/- 1.77   0.016% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB3   TRP   27  22.13 +/- 2.16   0.003% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 108.1:
      O   HN    TRP   27 - HB3   TRP   27   2.69 +/- 0.17  99.907% * 99.5184% (0.76  10.0   5.64 108.10) = 100.000%  kept
          HD1   TRP   87 - HB3   TRP   27   9.91 +/- 1.33   0.060% *  0.1202% (0.92   1.0   0.02   6.12) =   0.000%
          HN    THR   39 - HB3   TRP   27  14.73 +/- 0.61   0.004% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   TRP   27  14.10 +/- 0.34   0.005% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   TRP   27  12.37 +/- 1.44   0.013% *  0.0176% (0.14   1.0   0.02   6.12) =   0.000%
          HN    LYS+ 102 - HB3   TRP   27  15.42 +/- 2.12   0.004% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   TRP   27  15.40 +/- 1.22   0.004% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   TRP   27  16.14 +/- 0.93   0.003% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2431 (8.82, 2.99, 30.32 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 6.07, residual support = 50.4:
          HN    ASN   28 - HB3   TRP   27   4.05 +/- 0.09  99.987% * 99.4979% (0.65   6.07  50.42) = 100.000%  kept
          HN    ASN   69 - HB3   TRP   27  18.42 +/- 1.35   0.013% *  0.5021% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.36 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.223, support = 3.56, residual support = 16.8:
          HN    LEU   31 - HA    ASN   28   3.27 +/- 0.15  99.927% * 95.1088% (0.22   3.56  16.75) =  99.999%  kept
          HN    LYS+  38 - HA    ASN   28  12.65 +/- 0.32   0.031% *  2.3503% (0.98   0.02   0.02) =   0.001%
          HN    SER   37 - HA    ASN   28  12.12 +/- 0.32   0.040% *  0.4199% (0.18   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ASN   28  24.70 +/- 0.82   0.001% *  1.4543% (0.61   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ASN   28  21.97 +/- 0.76   0.001% *  0.6667% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 4.47, residual support = 7.79:
          HN    GLN   30 - HA    ASN   28   3.85 +/- 0.12  99.146% * 93.4564% (0.18   4.47   7.79) =  99.993%  kept
          HN    ASN   35 - HA    ASN   28   8.81 +/- 0.37   0.756% *  0.5318% (0.22   0.02   0.02) =   0.004%
          HN    LYS+  99 - HA    ASN   28  13.05 +/- 1.28   0.080% *  2.2051% (0.92   0.02   0.02) =   0.002%
          HE1   HIS  122 - HA    ASN   28  20.03 +/- 4.26   0.009% *  2.0721% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASN   28  19.21 +/- 1.95   0.008% *  1.7346% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.97, residual support = 104.9:
      O   HN    ASN   28 - HB2   ASN   28   2.60 +/- 0.18  99.982% * 99.7686% (0.65  10.0   6.97 104.88) = 100.000%  kept
          HN    ASN   28 - HB2   ASN   35  11.48 +/- 1.00   0.016% *  0.0310% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  16.76 +/- 1.25   0.002% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   28  21.50 +/- 1.05   0.000% *  0.1529% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2435 (6.96, 2.73, 38.30 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.17, residual support = 104.9:
      O   HD22  ASN   28 - HB3   ASN   28   3.66 +/- 0.46  99.986% * 99.9746% (0.98  10.0   4.17 104.88) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  17.12 +/- 0.77   0.014% *  0.0254% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2436 (7.62, 2.73, 38.30 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.39, residual support = 104.9:
      O   HD21  ASN   28 - HB3   ASN   28   3.64 +/- 0.29  99.366% * 99.7595% (0.87  10.0   3.39 104.88) =  99.999%  kept
          HZ2   TRP   87 - HB3   ASN   28   9.59 +/- 1.74   0.617% *  0.1127% (0.98   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HB3   ASN   28  16.09 +/- 1.24   0.015% *  0.0790% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HB3   ASN   28  23.32 +/- 1.19   0.002% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HB3   ASN   28  26.44 +/- 0.98   0.001% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.494, support = 5.47, residual support = 32.9:
          HN    GLU-  29 - HB3   ASN   28   3.49 +/- 0.20  90.564% * 48.7729% (0.45   5.75  35.57) =  90.388%  kept
          HN    GLN   30 - HB3   ASN   28   5.11 +/- 0.12   9.368% * 50.1365% (0.92   2.87   7.79) =   9.611%  kept
          HN    ASP-  86 - HB3   ASN   28  13.31 +/- 1.62   0.044% *  0.3283% (0.87   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASN   28  14.96 +/- 1.32   0.020% *  0.2143% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASN   28  20.52 +/- 2.02   0.003% *  0.3031% (0.80   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASN   28  22.37 +/- 4.27   0.002% *  0.2449% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 6.62, residual support = 104.9:
      O   HN    ASN   28 - HB3   ASN   28   3.54 +/- 0.02  98.483% * 99.8777% (0.92  10.0   6.62 104.88) = 100.000%  kept
          HN    GLU-  25 - HB3   ASN   28   7.19 +/- 0.41   1.486% *  0.0167% (0.15   1.0   0.02   2.64) =   0.000%
          HN    ASP-  44 - HB3   ASN   28  13.83 +/- 0.60   0.029% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   ASN   28  21.48 +/- 1.07   0.002% *  0.0866% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2439 (8.33, 2.93, 38.30 ppm):
    10 chemical-shift based assignments, quality = 0.372, support = 0.0198, residual support = 7.69:
          HN    GLN   30 - HB2   ASN   28   4.51 +/- 0.07  97.569% *  7.8959% (0.38   0.02   7.79) =  98.619%  kept
          HN    LYS+  99 - HB2   ASN   35  10.97 +/- 1.09   0.599% *  6.5298% (0.31   0.02   0.02) =   0.501%  kept
          HN    GLN   30 - HB2   ASN   35   9.23 +/- 0.85   1.528% *  2.4562% (0.12   0.02   0.02) =   0.480%
          HN    LYS+  99 - HB2   ASN   28  15.98 +/- 1.27   0.059% * 20.9915% (1.00   0.02   0.02) =   0.157%
          HN    ASP-  86 - HB2   ASN   28  13.62 +/- 1.35   0.152% *  6.4934% (0.31   0.02   0.02) =   0.126%
          HN    GLU-  14 - HB2   ASN   28  19.63 +/- 1.97   0.017% * 19.9013% (0.95   0.02   0.02) =   0.044%
          HE1   HIS  122 - HB2   ASN   28  22.67 +/- 3.99   0.010% * 20.9915% (1.00   0.02   0.02) =   0.026%
          HE1   HIS  122 - HB2   ASN   35  19.26 +/- 4.26   0.030% *  6.5298% (0.31   0.02   0.02) =   0.025%
          HN    GLU-  14 - HB2   ASN   35  19.52 +/- 2.83   0.022% *  6.1907% (0.29   0.02   0.02) =   0.017%
          HN    ASP-  86 - HB2   ASN   35  20.05 +/- 2.00   0.015% *  2.0199% (0.10   0.02   0.02) =   0.004%
    Distance limit 3.16 A violated in 20 structures by 1.35 A, eliminated.
    Peak unassigned.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 3.6, residual support = 104.9:
      O   HD21  ASN   28 - HB2   ASN   28   3.50 +/- 0.52  99.498% * 99.5979% (0.61  10.0   3.60 104.88) =  99.999%  kept
          HZ2   TRP   87 - HB2   ASN   28  10.23 +/- 1.59   0.353% *  0.1315% (0.80   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASN   35  11.94 +/- 1.19   0.078% *  0.0310% (0.19   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   28  15.69 +/- 1.34   0.014% *  0.1516% (0.92   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASN   35  14.14 +/- 1.85   0.048% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   35  17.57 +/- 1.70   0.009% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.486, support = 5.41, residual support = 19.6:
      O   HN    GLN   30 - HA    GLU-  29   3.51 +/- 0.02  96.962% * 98.9280% (0.49  10.0   5.41  19.58) =  99.999%  kept
          HN    GLN   30 - HA    GLN   32   6.72 +/- 0.16   1.972% *  0.0222% (0.11   1.0   0.02   1.57) =   0.000%
          HN    GLN   30 - HA    LYS+  33   7.70 +/- 0.34   0.900% *  0.0271% (0.13   1.0   0.02   0.17) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  15.94 +/- 1.35   0.013% *  0.1961% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  12.80 +/- 1.35   0.055% *  0.0439% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  17.25 +/- 2.27   0.009% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  14.70 +/- 2.84   0.032% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  14.12 +/- 0.99   0.025% *  0.0538% (0.26   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  17.12 +/- 1.41   0.008% *  0.0836% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  22.24 +/- 3.72   0.002% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  18.48 +/- 2.56   0.006% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  19.53 +/- 3.40   0.005% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  20.53 +/- 4.11   0.004% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  18.87 +/- 1.63   0.005% *  0.0187% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  21.94 +/- 1.45   0.002% *  0.0229% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.40 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.455, support = 5.43, residual support = 88.0:
      O   HN    GLU-  29 - HB2   GLU-  29   2.32 +/- 0.07  86.777% * 60.2681% (0.41  10.0   5.38  94.79) =  90.964%  kept
          HN    GLN   30 - HB2   GLU-  29   3.22 +/- 0.21  13.220% * 39.2974% (0.90   1.0   5.98  19.58) =   9.036%  kept
          HN    GLU-  14 - HB2   GLU-  29  15.82 +/- 2.14   0.001% *  0.1224% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLU-  29  16.97 +/- 1.34   0.001% *  0.1224% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  29  17.34 +/- 1.26   0.001% *  0.0889% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  29  22.33 +/- 3.28   0.000% *  0.1007% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.513, support = 5.36, residual support = 79.0:
      O   HN    GLU-  29 - HB3   GLU-  29   3.52 +/- 0.02  64.807% * 66.4697% (0.41  10.0   5.58  94.79) =  79.029%  kept
          HN    GLN   30 - HB3   GLU-  29   3.91 +/- 0.12  34.810% * 32.8371% (0.90   1.0   4.53  19.58) =  20.970%  kept
          HN    GLN   30 - QB    GLU-  36   9.20 +/- 0.37   0.211% *  0.0449% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  36  10.40 +/- 0.45   0.102% *  0.0206% (0.13   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLU-  29  15.37 +/- 2.33   0.013% *  0.1350% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    GLU-  36  14.68 +/- 2.71   0.021% *  0.0418% (0.26   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    GLU-  36  13.56 +/- 0.83   0.021% *  0.0304% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  29  17.54 +/- 1.34   0.005% *  0.0981% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  29  18.44 +/- 1.35   0.003% *  0.1350% (0.84   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  29  22.64 +/- 3.28   0.001% *  0.1111% (0.69   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    GLU-  36  18.80 +/- 3.05   0.004% *  0.0344% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    GLU-  36  21.49 +/- 1.33   0.001% *  0.0418% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2444 (2.44, 2.15, 30.32 ppm):
    16 chemical-shift based assignments, quality = 0.9, support = 4.3, residual support = 94.0:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.88 +/- 0.04  28.533% * 95.1378% (0.99  10.0 10.00   4.30  94.79) =  90.424%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.47 +/- 0.08  71.429% *  4.0244% (0.04  10.0 10.00   4.29  86.74) =   9.575%  kept
        T HG2   GLU-  29 - QB    GLU-  36   9.88 +/- 0.65   0.020% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU-  36 - HB3   GLU-  29  10.37 +/- 0.86   0.015% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB3   GLU-  29  16.91 +/- 1.56   0.001% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  19.25 +/- 0.63   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  18.17 +/- 1.21   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  19.49 +/- 1.47   0.000% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  24.79 +/- 1.16   0.000% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  17.86 +/- 1.10   0.001% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  26.19 +/- 2.23   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  22.05 +/- 0.85   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  23.34 +/- 1.39   0.000% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  24.04 +/- 0.92   0.000% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  25.34 +/- 2.00   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  22.75 +/- 0.73   0.000% *  0.0059% (0.06   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 2445 (1.62, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 0.167, residual support = 0.167:
          QD    LYS+  33 - HA    GLN   30   3.85 +/- 1.18  99.806% * 71.9429% (0.95   0.17   0.17) =  99.989%  kept
          HD2   LYS+  74 - HA    GLN   30  13.63 +/- 1.17   0.160% *  3.4240% (0.38   0.02   0.02) =   0.008%
          QB    ALA   57 - HA    GLN   30  18.22 +/- 1.20   0.023% *  6.2666% (0.69   0.02   0.02) =   0.002%
          HB3   LEU  123 - HA    GLN   30  24.64 +/- 4.63   0.007% *  8.6300% (0.95   0.02   0.02) =   0.001%
          HG3   ARG+  54 - HA    GLN   30  26.50 +/- 1.73   0.003% *  3.1119% (0.34   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    GLN   30  30.75 +/- 2.41   0.001% *  6.6246% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 6 structures by 0.56 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 = 0.153, support = 0.0199, residual support = 0.0199:
          QD1   LEU   71 - HA    GLN   30   5.04 +/- 1.12  99.759% *  8.2693% (0.15   0.02   0.02) =  99.307%  kept
          QD2   LEU  123 - HA    GLN   30  20.58 +/- 3.65   0.061% * 48.0646% (0.90   0.02   0.02) =   0.351%
          HB3   LEU  104 - HA    GLN   30  18.20 +/- 1.62   0.090% * 22.0331% (0.41   0.02   0.02) =   0.238%
          QD1   LEU  123 - HA    GLN   30  19.67 +/- 2.84   0.067% *  8.2693% (0.15   0.02   0.02) =   0.067%
          HG3   LYS+ 121 - HA    GLN   30  23.48 +/- 2.62   0.023% * 13.3638% (0.25   0.02   0.02) =   0.037%
    Distance limit 3.92 A violated in 10 structures by 1.16 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2447 (8.31, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.23, residual support = 156.2:
      O   HN    GLN   30 - HA    GLN   30   2.83 +/- 0.02  97.521% * 99.6773% (0.98  10.0   6.23 156.16) =  99.999%  kept
          HN    GLU-  29 - HA    GLN   30   5.22 +/- 0.05   2.455% *  0.0576% (0.57   1.0   0.02  19.58) =   0.001%
          HN    GLU-  14 - HA    GLN   30  13.48 +/- 2.24   0.013% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   30  14.15 +/- 1.39   0.008% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   30  17.98 +/- 1.29   0.002% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   30  18.59 +/- 3.36   0.002% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2448 (8.31, 2.04, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.28, residual support = 156.2:
      O   HN    GLN   30 - HB2   GLN   30   3.16 +/- 0.56  97.364% * 99.6773% (0.98  10.0   6.28 156.16) =  99.998%  kept
          HN    GLU-  29 - HB2   GLN   30   5.82 +/- 0.67   2.551% *  0.0576% (0.57   1.0   0.02  19.58) =   0.002%
          HN    LYS+  99 - HB2   GLN   30  12.85 +/- 1.44   0.044% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   GLN   30  13.85 +/- 1.90   0.024% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLN   30  16.31 +/- 1.34   0.008% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLN   30  16.85 +/- 3.30   0.010% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 6.5, residual support = 156.2:
      O   HN    GLN   30 - HB3   GLN   30   2.54 +/- 0.53  98.392% * 99.4549% (0.65  10.0   6.50 156.16) =  99.999%  kept
          HN    GLU-  29 - HB3   GLN   30   5.11 +/- 0.62   1.562% *  0.0304% (0.20   1.0   0.02  19.58) =   0.000%
          HN    GLU-  14 - HB3   GLN   30  14.38 +/- 2.07   0.020% *  0.1524% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLN   30  13.15 +/- 1.74   0.017% *  0.1334% (0.87   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLN   30  17.44 +/- 3.71   0.005% *  0.1419% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLN   30  15.69 +/- 1.48   0.003% *  0.0870% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.643, support = 7.11, residual support = 155.1:
          HN    GLN   30 - HG2   GLN   30   3.02 +/- 0.40  96.003% * 82.5804% (0.65   7.13 156.16) =  99.198%  kept
          HN    GLU-  29 - HG2   GLN   30   5.15 +/- 0.47   3.949% * 16.2207% (0.20   4.58  19.58) =   0.802%  kept
          HN    GLU-  14 - HG2   GLN   30  13.65 +/- 2.35   0.025% *  0.3549% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   GLN   30  14.51 +/- 1.70   0.012% *  0.3106% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   GLN   30  18.27 +/- 3.36   0.005% *  0.3306% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG2   GLN   30  16.32 +/- 1.77   0.006% *  0.2027% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.868, support = 4.04, residual support = 155.2:
      O   HE21  GLN   30 - HG2   GLN   30   3.61 +/- 0.46  86.676% * 96.1202% (0.87  10.0   4.06 156.16) =  99.413%  kept
          HD1   TRP   27 - HG2   GLN   30   6.12 +/- 1.58  13.312% *  3.6931% (1.00   1.0   0.67   0.02) =   0.587%  kept
          QD    PHE   59 - HG2   GLN   30  17.28 +/- 1.62   0.011% *  0.1106% (1.00   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG2   GLN   30  26.25 +/- 2.06   0.001% *  0.0761% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 2.86, residual support = 156.1:
      O   HE21  GLN   30 - HG3   GLN   30   3.73 +/- 0.56  82.556% * 99.5784% (0.87  10.0   2.86 156.16) =  99.980%  kept
          HD1   TRP   27 - HG3   GLN   30   6.33 +/- 1.91  14.298% *  0.1145% (1.00   1.0   0.02   0.02) =   0.020%
          QD    PHE   59 - HB2   LYS+ 111   9.19 +/- 1.91   0.772% *  0.0230% (0.20   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HB2   PRO   93   8.69 +/- 1.93   1.821% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   PRO   93   9.91 +/- 1.62   0.458% *  0.0061% (0.05   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HG3   GLN   30  16.58 +/- 2.27   0.018% *  0.1145% (1.00   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   LYS+ 111  15.02 +/- 2.41   0.048% *  0.0158% (0.14   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  16.42 +/- 1.21   0.018% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG3   GLN   30  25.83 +/- 2.70   0.001% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  18.59 +/- 1.84   0.008% *  0.0078% (0.07   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  25.05 +/- 1.66   0.001% *  0.0230% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  26.27 +/- 2.68   0.001% *  0.0200% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.643, support = 6.31, residual support = 155.0:
          HN    GLN   30 - HG3   GLN   30   3.58 +/- 0.53  94.777% * 84.5915% (0.65   6.34 156.16) =  99.158%  kept
          HN    GLU-  29 - HG3   GLN   30   5.86 +/- 0.54   5.023% * 13.5441% (0.20   3.32  19.58) =   0.841%  kept
          HN    GLU-  14 - HG3   GLN   30  13.39 +/- 2.15   0.068% *  0.4091% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   GLN   30  14.05 +/- 1.70   0.033% *  0.3580% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   GLN   30  17.45 +/- 3.27   0.014% *  0.3810% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   GLN   30  16.32 +/- 1.38   0.013% *  0.2337% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   LYS+ 111  17.26 +/- 2.36   0.013% *  0.0766% (0.19   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   PRO   93  17.31 +/- 2.23   0.019% *  0.0297% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   PRO   93  15.42 +/- 0.98   0.020% *  0.0182% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   LYS+ 111  21.87 +/- 2.34   0.003% *  0.0720% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  19.55 +/- 0.85   0.005% *  0.0279% (0.07   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  19.61 +/- 1.40   0.005% *  0.0208% (0.05   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   LYS+ 111  23.55 +/- 2.07   0.002% *  0.0470% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  24.09 +/- 1.96   0.001% *  0.0319% (0.08   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  28.27 +/- 1.99   0.001% *  0.0537% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  31.19 +/- 2.53   0.000% *  0.0822% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  20.74 +/- 1.42   0.003% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  29.97 +/- 1.87   0.000% *  0.0164% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.189, support = 3.97, residual support = 35.3:
          HG    LEU   31 - HB3   GLN   30   4.95 +/- 0.74  26.479% * 73.9896% (0.15  1.00   5.83  51.36) =  63.397%  kept
          QD2   LEU   73 - HB3   GLN   30   3.72 +/- 1.16  73.502% * 15.3886% (0.25  1.00   0.75   7.37) =  36.601%  kept
        T QD1   ILE   56 - HB3   GLN   30  17.93 +/- 1.48   0.006% *  8.0105% (0.49 10.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - HB3   GLN   30  19.74 +/- 3.63   0.011% *  0.9982% (0.61  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB3   GLN   30  22.10 +/- 2.72   0.002% *  1.6131% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.24, residual support = 7.37:
          QD1   LEU   73 - HB3   GLN   30   2.92 +/- 1.05  97.358% * 96.9554% (0.87   3.24   7.37) =  99.984%  kept
          QD2   LEU   80 - HB3   GLN   30   7.80 +/- 1.10   1.817% *  0.6838% (0.99   0.02   0.02) =   0.013%
          QG1   VAL   83 - HB3   GLN   30   8.86 +/- 1.14   0.716% *  0.2836% (0.41   0.02   0.02) =   0.002%
          QD1   LEU   63 - HB3   GLN   30  13.60 +/- 2.16   0.036% *  0.5985% (0.87   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   GLN   30  13.71 +/- 1.67   0.022% *  0.5985% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   GLN   30  13.69 +/- 2.23   0.041% *  0.1918% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   GLN   30  17.29 +/- 2.21   0.010% *  0.6884% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 2 structures by 0.17 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.785, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  19.23 +/- 3.31  35.358% * 54.6388% (0.97   0.02   0.02) =  65.537%  kept
          HG3   LYS+ 121 - HB2   GLN   30  21.61 +/- 2.56  16.179% * 36.6255% (0.65   0.02   0.02) =  20.101%  kept
          QD1   ILE   56 - HB2   GLN   30  17.77 +/- 1.52  48.463% *  8.7356% (0.15   0.02   0.02) =  14.362%  kept
    Distance limit 3.43 A violated in 20 structures by 12.06 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.97, residual support = 7.37:
          QD1   LEU   73 - HB2   GLN   30   2.68 +/- 0.82  99.347% * 96.6911% (0.87   2.97   7.37) =  99.996%  kept
          QD2   LEU   80 - HB2   GLN   30   8.37 +/- 1.05   0.408% *  0.7432% (0.99   0.02   0.02) =   0.003%
          QG1   VAL   83 - HB2   GLN   30   9.46 +/- 1.07   0.179% *  0.3083% (0.41   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   GLN   30  13.23 +/- 2.23   0.022% *  0.6504% (0.87   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   GLN   30  13.37 +/- 1.39   0.016% *  0.6504% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   GLN   30  13.23 +/- 2.42   0.024% *  0.2085% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   GLN   30  17.06 +/- 2.25   0.004% *  0.7482% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 1 structures by 0.09 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.94, residual support = 156.2:
      O T HA    GLN   30 - HG3   GLN   30   3.37 +/- 0.58  81.471% * 98.6729% (0.65  10.0 10.00   4.94 156.16) =  99.998%  kept
        T HD3   PRO   52 - HB2   PRO   93   8.26 +/- 1.76   0.695% *  0.0863% (0.06   1.0 10.00   0.02   0.52) =   0.001%
          HB2   CYS   53 - HB2   PRO   93   5.46 +/- 1.99  16.306% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - HG3   GLN   30   9.57 +/- 0.72   0.214% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   GLN   30  10.59 +/- 0.82   0.105% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   GLN   30  13.73 +/- 2.84   0.049% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111   9.13 +/- 2.00   0.622% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   GLN   30  14.86 +/- 1.85   0.020% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93  10.03 +/- 0.55   0.162% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   LYS+ 111  14.61 +/- 2.12   0.039% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93  12.39 +/- 2.18   0.246% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG3   GLN   30  18.67 +/- 1.93   0.006% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  17.10 +/- 2.13   0.015% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  14.40 +/- 1.56   0.027% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  20.53 +/- 1.51   0.003% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  19.30 +/- 2.01   0.005% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  24.27 +/- 2.00   0.001% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  20.02 +/- 1.81   0.003% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  28.57 +/- 2.19   0.000% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  17.59 +/- 1.35   0.006% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  27.41 +/- 2.38   0.001% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  21.67 +/- 1.60   0.002% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  26.11 +/- 2.65   0.001% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  23.76 +/- 2.10   0.001% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  30.06 +/- 2.71   0.000% *  0.0245% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  24.94 +/- 1.61   0.001% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  29.88 +/- 2.61   0.000% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.62, residual support = 11.8:
          HZ2   TRP   27 - QD1   LEU   31   3.62 +/- 0.73  99.932% * 99.7810% (0.87   1.62  11.77) = 100.000%  kept
          HZ    PHE   72 - QD1   LEU   31  13.67 +/- 0.86   0.068% *  0.2190% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 2 structures by 0.20 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.862, support = 0.625, residual support = 11.0:
          HD21  ASN   28 - QD1   LEU   31   4.28 +/- 0.86  64.216% * 45.0458% (0.92   0.55  16.75) =  61.566%  kept
          HZ2   TRP   87 - QD1   LEU   31   5.36 +/- 1.36  35.338% * 51.0941% (0.76   0.75   1.75) =  38.429%  kept
          HN    ALA   84 - QD1   LEU   31  10.75 +/- 0.87   0.234% *  0.4957% (0.28   0.02   0.02) =   0.002%
          QE    PHE   60 - QD1   LEU   31  11.18 +/- 1.23   0.181% *  0.3528% (0.20   0.02   0.02) =   0.001%
          HN    LEU   63 - QD1   LEU   31  16.48 +/- 1.12   0.018% *  1.3625% (0.76   0.02   0.02) =   0.001%
          HN    ILE   56 - QD1   LEU   31  19.55 +/- 0.82   0.006% *  1.1533% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   31  19.93 +/- 1.91   0.007% *  0.4957% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.761, support = 0.02, residual support = 0.02:
          HN    ALA   88 - QD1   LEU   31  11.92 +/- 1.29  41.950% * 52.6698% (0.97   0.02   0.02) =  66.845%  kept
          HN    ASP- 105 - QD1   LEU   31  11.24 +/- 1.26  56.543% * 18.6164% (0.34   0.02   0.02) =  31.846%  kept
          HN    PHE   55 - QD1   LEU   31  20.88 +/- 0.75   1.507% * 28.7138% (0.53   0.02   0.02) =   1.309%  kept
    Distance limit 4.16 A violated in 20 structures by 5.98 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.53, residual support = 231.6:
          HN    LEU   31 - HG    LEU   31   2.91 +/- 0.65  99.878% * 99.1225% (0.67   7.53 231.60) = 100.000%  kept
          HN    LYS+  38 - HG    LEU   31  10.47 +/- 0.66   0.119% *  0.2039% (0.52   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG    LEU   31  20.40 +/- 0.77   0.002% *  0.2826% (0.72   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG    LEU   31  24.09 +/- 1.03   0.001% *  0.3124% (0.79   0.02   0.02) =   0.000%
          HN    PHE   55 - HG    LEU   31  24.83 +/- 0.89   0.000% *  0.0786% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.19, residual support = 231.6:
      O   HN    LEU   31 - HB3   LEU   31   3.51 +/- 0.06  99.531% * 99.3670% (0.34  10.0   7.19 231.60) =  99.999%  kept
          HN    LYS+  38 - HB3   LEU   31   8.67 +/- 0.48   0.466% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HB3   LEU   31  21.73 +/- 1.02   0.002% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB3   LEU   31  26.14 +/- 0.96   0.001% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2464 (8.07, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.768, support = 5.69, residual support = 43.6:
          HN    GLN   32 - HB3   LEU   31   3.80 +/- 0.21  82.056% * 79.2449% (0.76   5.93  45.70) =  94.728%  kept
          HN    ALA   34 - HB3   LEU   31   4.96 +/- 0.20  17.914% * 20.1996% (0.84   1.38   4.90) =   5.272%  kept
          HN    LEU   80 - HB3   LEU   31  16.00 +/- 0.64   0.016% *  0.2540% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   LEU   31  16.85 +/- 1.38   0.013% *  0.1313% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   31  24.96 +/- 1.03   0.001% *  0.1702% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 2.55, residual support = 16.7:
        T HA    ASN   28 - HB2   LEU   31   3.29 +/- 0.44  96.433% * 98.0556% (0.73 10.00   2.55  16.75) =  99.986%  kept
        T HA    ALA   34 - HB2   LEU   31   7.66 +/- 0.20   0.763% *  1.2110% (0.90 10.00   0.02   4.90) =   0.010%
          HA1   GLY  101 - HB2   LEU   31   9.11 +/- 2.87   2.390% *  0.1338% (0.99  1.00   0.02   0.02) =   0.003%
          HA    THR   26 - HB2   LEU   31   8.27 +/- 0.55   0.410% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - HB2   LEU   31  26.09 +/- 5.38   0.001% *  0.2084% (0.15 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   LEU   31  22.64 +/- 1.54   0.001% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   LEU   31  26.04 +/- 1.40   0.001% *  0.1338% (0.99  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  23.52 +/- 1.14   0.001% *  0.0208% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   LEU   31  26.02 +/- 1.16   0.000% *  0.0301% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 7.19, residual support = 231.6:
      O   HN    LEU   31 - HB2   LEU   31   2.49 +/- 0.21  99.966% * 99.3670% (0.34  10.0   7.19 231.60) = 100.000%  kept
          HN    LYS+  38 - HB2   LEU   31   9.67 +/- 0.35   0.034% *  0.2907% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   LEU   31  22.13 +/- 0.85   0.000% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   LEU   31  26.16 +/- 1.02   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 45.5:
          HN    GLN   32 - HB2   LEU   31   2.81 +/- 0.21  97.777% * 79.2441% (0.76   5.93  45.70) =  99.426%  kept
          HN    ALA   34 - HB2   LEU   31   5.36 +/- 0.15   2.216% * 20.2005% (0.84   1.38   4.90) =   0.574%  kept
          HN    LEU   80 - HB2   LEU   31  15.15 +/- 0.67   0.005% *  0.2540% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   LEU   31  16.40 +/- 1.36   0.003% *  0.1313% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   31  24.97 +/- 1.15   0.000% *  0.1702% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 7.19, residual support = 231.6:
      O   HN    LEU   31 - HA    LEU   31   2.78 +/- 0.03  99.761% * 99.3670% (0.34  10.0   7.19 231.60) =  99.999%  kept
          HN    LYS+  38 - HA    LEU   31   7.64 +/- 0.32   0.238% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HA    LEU   31  19.95 +/- 0.92   0.001% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU   31  25.15 +/- 0.98   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 5.04, residual support = 36.8:
      O   HN    GLN   32 - HA    LEU   31   3.59 +/- 0.03  26.460% * 90.6850% (0.76  10.0   5.93  45.70) =  78.144%  kept
          HN    ALA   34 - HA    LEU   31   3.02 +/- 0.16  73.534% *  9.1265% (0.84   1.0   1.84   4.90) =  21.856%  kept
          HN    LEU   80 - HA    LEU   31  15.96 +/- 0.61   0.004% *  0.0862% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LEU   31  17.81 +/- 1.21   0.002% *  0.0445% (0.38   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  24.17 +/- 1.09   0.000% *  0.0578% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.486, support = 1.22, residual support = 3.24:
          QD1   LEU   73 - HA    LEU   31   4.56 +/- 0.85  94.941% * 87.6995% (0.49   1.22   3.24) =  99.850%  kept
          QG1   VAL   83 - HA    LEU   31   9.96 +/- 0.82   2.036% *  2.3568% (0.80   0.02   0.02) =   0.058%
          QD2   LEU   80 - HA    LEU   31  10.10 +/- 0.76   1.511% *  2.5530% (0.87   0.02   0.02) =   0.046%
          QD1   LEU  104 - HA    LEU   31  11.19 +/- 1.19   1.170% *  2.9172% (0.99   0.02   0.02) =   0.041%
          QD1   LEU   63 - HA    LEU   31  14.19 +/- 2.19   0.156% *  1.4326% (0.49   0.02   0.02) =   0.003%
          QD2   LEU  115 - HA    LEU   31  17.86 +/- 2.32   0.055% *  2.4584% (0.84   0.02   0.02) =   0.002%
          QG2   ILE   89 - HA    LEU   31  14.82 +/- 0.91   0.131% *  0.5825% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 7 structures by 0.89 A, kept.
 
    Peak 2472 (7.73, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.526, support = 3.11, residual support = 15.3:
          HD1   TRP   87 - QG2   VAL   83   2.75 +/- 0.68  97.432% * 95.5549% (0.53   3.11  15.32) =  99.978%  kept
          HN    TRP   27 - QG2   VAL   83   7.26 +/- 1.05   0.861% *  1.1661% (1.00   0.02   3.52) =   0.011%
          HE3   TRP   87 - QG2   VAL   83   6.24 +/- 0.63   1.400% *  0.5228% (0.45   0.02  15.32) =   0.008%
          HN    ALA   91 - QG2   VAL   83   8.10 +/- 0.64   0.287% *  0.9740% (0.84   0.02   0.02) =   0.003%
          HN    ALA   61 - QG2   VAL   83  14.90 +/- 1.05   0.007% *  0.8912% (0.76   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   VAL   83  15.94 +/- 0.93   0.006% *  0.6602% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   VAL   83  15.82 +/- 1.18   0.006% *  0.2308% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.08 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  15.49 +/- 1.30 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.09 A violated in 20 structures by 12.40 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.498, support = 0.0199, residual support = 0.0199:
          QD    PHE   59 - QG2   VAL   42   7.46 +/- 1.51  60.504% * 17.5479% (0.39   0.02   0.02) =  50.442%  kept
          HE21  GLN   30 - QG2   VAL   42   8.81 +/- 1.30  27.494% * 30.1124% (0.67   0.02   0.02) =  39.334%  kept
          HD1   TRP   27 - QG2   VAL   42  10.28 +/- 1.57  11.736% * 17.5479% (0.39   0.02   0.02) =   9.784%  kept
          HH2   TRP   49 - QG2   VAL   42  18.62 +/- 1.52   0.266% * 34.7918% (0.77   0.02   0.02) =   0.439%
    Distance limit 3.28 A violated in 20 structures by 3.34 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.789, support = 0.328, residual support = 1.21:
          QD2   LEU   40 - QG2   VAL   42   3.34 +/- 0.83  69.118% * 65.1577% (0.79  1.00   0.34   1.24) =  97.837%  kept
          QD1   LEU   67 - QG2   VAL   42   5.48 +/- 2.03  18.087% *  3.9118% (0.80  1.00   0.02   0.02) =   1.537%  kept
        T HB    VAL   75 - QG2   VAL   42   9.08 +/- 0.81   0.491% * 19.0833% (0.39 10.00   0.02   0.02) =   0.203%
          QD2   LEU   71 - QG2   VAL   42   6.11 +/- 0.48   4.673% *  1.9083% (0.39  1.00   0.02   6.01) =   0.194%
          QG2   ILE  119 - QG2   VAL   42   7.04 +/- 2.44   5.759% *  0.8728% (0.18  1.00   0.02   0.02) =   0.109%
          QG2   ILE  103 - QG2   VAL   42   7.02 +/- 0.53   1.018% *  3.8858% (0.79  1.00   0.02   0.02) =   0.086%
          QD1   ILE  103 - QG2   VAL   42   7.60 +/- 0.51   0.729% *  1.4714% (0.30  1.00   0.02   0.02) =   0.023%
          HG3   LYS+  74 - QG2   VAL   42  10.82 +/- 0.87   0.126% *  3.7087% (0.76  1.00   0.02   0.02) =   0.010%
    Distance limit 3.00 A violated in 2 structures by 0.38 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 = 0.918, support = 3.82, residual support = 11.6:
        T HZ2   TRP   27 - QD2   LEU   31   3.99 +/- 0.65  31.731% * 96.1845% (0.99 10.00   4.04  11.77) =  92.137%  kept
        T HZ2   TRP   27 - QG2   VAL   43   3.46 +/- 0.78  68.269% *  3.8155% (0.07 10.00   1.17   9.16) =   7.863%  kept
    Distance limit 3.25 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.2, residual support = 51.4:
          HE22  GLN   30 - QD2   LEU   31   3.84 +/- 0.63  89.794% * 99.1219% (0.90   3.20  51.36) =  99.995%  kept
          HE22  GLN   30 - QG2   VAL   43   6.66 +/- 1.80   9.941% *  0.0419% (0.06   0.02   0.02) =   0.005%
          HD22  ASN   69 - QD2   LEU   31  12.33 +/- 1.64   0.135% *  0.4469% (0.65   0.02   0.02) =   0.001%
          HN    TRP   49 - QD2   LEU   31  19.04 +/- 0.79   0.009% *  0.3363% (0.49   0.02   0.02) =   0.000%
          HD22  ASN   69 - QG2   VAL   43  13.25 +/- 1.10   0.073% *  0.0302% (0.04   0.02   0.02) =   0.000%
          HN    TRP   49 - QG2   VAL   43  14.07 +/- 0.78   0.048% *  0.0228% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 59.9:
      O T HA    VAL   43 - QG2   VAL   43   2.22 +/- 0.27  99.320% * 99.3737% (0.50  10.0 10.00   3.00  59.93) =  99.998%  kept
        T HA    VAL   43 - QD2   LEU   31   6.32 +/- 0.83   0.610% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HA    HIS   22 - QG2   VAL   43   9.56 +/- 0.91   0.019% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - QD2   LEU   31  10.52 +/- 1.18   0.041% *  0.0389% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG2   VAL   43  13.16 +/- 0.69   0.003% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QD2   LEU   31  12.09 +/- 1.50   0.007% *  0.0371% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2479 (6.34, 0.06, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 1.82, residual support = 10.4:
          HZ3   TRP   27 - QG2   VAL   43   3.08 +/- 0.89  72.423% * 29.8128% (0.50  1.00   1.99   9.16) =  52.730%  kept
        T HZ3   TRP   27 - QD2   LEU   31   5.09 +/- 1.98  27.577% * 70.1872% (0.14 10.00   1.63  11.77) =  47.270%  kept
    Distance limit 2.94 A violated in 2 structures by 0.17 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.912, support = 4.28, residual support = 43.8:
          HN    GLN   32 - QG    GLN   32   3.60 +/- 0.48  91.186% * 85.1971% (0.92   4.30  44.49) =  98.412%  kept
          HN    ALA   34 - QG    GLN   32   5.56 +/- 0.46   8.800% * 14.2473% (0.22   2.98   0.02) =   1.588%  kept
          HN    SER   85 - QG    GLN   32  19.44 +/- 1.57   0.004% *  0.4142% (0.97   0.02   0.02) =   0.000%
          HN    LEU   80 - QG    GLN   32  17.65 +/- 0.77   0.007% *  0.0662% (0.15   0.02   0.02) =   0.000%
          HN    THR   94 - QG    GLN   32  21.17 +/- 0.82   0.003% *  0.0752% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 44.5:
      O   HN    GLN   32 - QB    GLN   32   2.13 +/- 0.08  99.351% * 99.8359% (0.92  10.0   4.18  44.49) = 100.000%  kept
          HN    ALA   34 - QB    GLN   32   4.95 +/- 0.13   0.648% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    GLN   32  18.16 +/- 1.35   0.000% *  0.1044% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  16.09 +/- 0.56   0.001% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  19.81 +/- 0.79   0.000% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2484 (8.32, 4.00, 59.42 ppm):
    18 chemical-shift based assignments, quality = 0.218, support = 5.88, residual support = 67.4:
      O   HN    GLU-  29 - HA    GLU-  29   2.72 +/- 0.02  81.271% * 27.4129% (0.14  10.0   6.14  94.79) =  63.599%  kept
      O   HN    GLN   30 - HA    GLU-  29   3.51 +/- 0.02  17.928% * 71.1184% (0.36  10.0   5.41  19.58) =  36.399%  kept
          HN    GLN   30 - HA    GLN   32   6.72 +/- 0.16   0.364% *  0.1093% (0.55   1.0   0.02   1.57) =   0.001%
          HN    GLN   30 - HA    LYS+  33   7.70 +/- 0.34   0.166% *  0.1125% (0.57   1.0   0.02   0.17) =   0.001%
          HN    GLU-  29 - HA    GLN   32   7.53 +/- 0.24   0.187% *  0.0421% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    LYS+  33   9.35 +/- 0.48   0.052% *  0.0433% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  12.80 +/- 1.35   0.010% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  14.70 +/- 2.84   0.006% *  0.1296% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  14.12 +/- 0.99   0.005% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  15.94 +/- 1.35   0.002% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  18.48 +/- 2.56   0.001% *  0.1260% (0.63   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  17.25 +/- 2.27   0.002% *  0.0820% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  19.53 +/- 3.40   0.001% *  0.1125% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  17.12 +/- 1.41   0.001% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  18.87 +/- 1.63   0.001% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  20.53 +/- 4.11   0.001% *  0.1093% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  21.94 +/- 1.45   0.000% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  22.24 +/- 3.72   0.000% *  0.0711% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 44.4:
      O   HN    GLN   32 - HA    GLN   32   2.72 +/- 0.02  79.965% * 98.5603% (0.39  10.0   4.13  44.49) =  99.855%  kept
          HN    GLN   32 - HA    GLU-  29   3.49 +/- 0.14  18.533% *  0.6085% (0.25   1.0   0.19   0.02) =   0.143%
          HN    GLN   32 - HA    LYS+  33   5.29 +/- 0.06   1.498% *  0.1014% (0.40   1.0   0.02  11.62) =   0.002%
          HN    SER   85 - HA    GLU-  29  18.25 +/- 1.25   0.001% *  0.1046% (0.41   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLN   32  20.50 +/- 1.45   0.000% *  0.1607% (0.63   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  23.39 +/- 1.29   0.000% *  0.1654% (0.65   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  21.95 +/- 0.91   0.000% *  0.0847% (0.33   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  20.73 +/- 0.78   0.000% *  0.0551% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  22.79 +/- 1.06   0.000% *  0.0872% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  17.58 +/- 0.48   0.001% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  21.35 +/- 0.51   0.000% *  0.0269% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  22.70 +/- 0.65   0.000% *  0.0276% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 5.5, residual support = 138.9:
      O   HN    LYS+  33 - HA    LYS+  33   2.86 +/- 0.01  76.271% * 79.3011% (0.69  10.0   5.59 147.86) =  93.433%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.55 +/- 0.01  20.842% * 20.3940% (0.18  10.0   4.20  11.62) =   6.566%  kept
          HN    LYS+  33 - HA    GLU-  29   5.10 +/- 0.47   2.856% *  0.0221% (0.19   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLU-  29  11.48 +/- 0.64   0.019% *  0.0289% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    LYS+  33  14.45 +/- 0.68   0.005% *  0.1035% (0.90   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLN   32  14.89 +/- 0.73   0.004% *  0.0266% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  24.50 +/- 2.22   0.000% *  0.0518% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  23.93 +/- 1.31   0.000% *  0.0288% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  20.08 +/- 1.34   0.001% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  21.42 +/- 1.51   0.000% *  0.0074% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  25.23 +/- 2.24   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  26.17 +/- 2.02   0.000% *  0.0145% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2487 (7.29, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    LYS+  33  13.94 +/- 1.06  16.489% * 37.1179% (0.92   0.02   0.02) =  49.396%  kept
          HE3   TRP   27 - QB    LYS+  33  10.19 +/- 2.07  73.214% *  5.4417% (0.14   0.02   0.02) =  32.155%  kept
          HN    LYS+  66 - QB    LYS+  33  16.05 +/- 1.48   8.287% * 18.0271% (0.45   0.02   0.02) =  12.057%  kept
          HN    LYS+  81 - QB    LYS+  33  18.95 +/- 0.95   2.009% * 39.4132% (0.98   0.02   0.02) =   6.392%  kept
    Distance limit 3.60 A violated in 20 structures by 5.93 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 = 147.9:
      O   HN    LYS+  33 - QB    LYS+  33   2.41 +/- 0.33  99.983% * 99.9232% (0.97  10.0   5.74 147.86) = 100.000%  kept
          HN    CYS   21 - QB    LYS+  33  10.94 +/- 0.63   0.016% *  0.0586% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    LYS+  33  20.54 +/- 1.89   0.000% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 0.916, support = 5.87, residual support = 42.1:
          HN    ALA   34 - QB    LYS+  33   2.83 +/- 0.17  94.866% * 68.0210% (0.92   5.92  42.87) =  97.553%  kept
          HN    GLN   32 - QB    LYS+  33   4.81 +/- 0.37   5.131% * 31.5510% (0.65   3.92  11.62) =   2.447%  kept
          HN    LEU   80 - QB    LYS+  33  16.86 +/- 0.77   0.002% *  0.2079% (0.84   0.02   0.02) =   0.000%
          HN    SER   85 - QB    LYS+  33  19.98 +/- 1.11   0.001% *  0.0692% (0.28   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    LYS+  33  23.94 +/- 1.30   0.000% *  0.1509% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2490 (8.63, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.422, support = 0.02, residual support = 0.02:
          HN    GLY   16 - QB    LYS+  33  11.42 +/- 1.78  76.079% *  8.4971% (0.20   0.02   0.02) =  50.016%  kept
          HN    ILE  103 - QB    LYS+  33  15.32 +/- 1.28  17.219% * 24.3087% (0.57   0.02   0.02) =  32.385%  kept
          HN    SER   82 - QB    LYS+  33  18.59 +/- 1.19   4.828% * 34.3809% (0.80   0.02   0.02) =  12.843%  kept
          HN    GLN   90 - QB    LYS+  33  22.08 +/- 1.52   1.874% * 32.8133% (0.76   0.02   0.02) =   4.757%  kept
    Distance limit 3.80 A violated in 20 structures by 6.99 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.526, support = 5.5, residual support = 147.8:
      O   HA    LYS+  33 - HG2   LYS+  33   3.41 +/- 0.51  88.564% * 98.3393% (0.53  10.0   5.50 147.86) =  99.989%  kept
          HB2   SER   37 - HG2   LYS+  33   7.07 +/- 1.39   4.280% *  0.1561% (0.84   1.0   0.02   0.02) =   0.008%
          HA    GLU-  29 - HG2   LYS+  33   6.84 +/- 1.45   2.047% *  0.0702% (0.38   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - QG    LYS+  81   5.97 +/- 0.47   4.568% *  0.0249% (0.13   1.0   0.02  19.09) =   0.001%
          HA    VAL   70 - HG2   LYS+  33  11.01 +/- 2.29   0.338% *  0.1561% (0.84   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   LYS+  33  12.67 +/- 1.83   0.082% *  0.0638% (0.34   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+  33  14.71 +/- 2.62   0.045% *  0.0910% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+ 106  14.47 +/- 1.21   0.022% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   LYS+ 106  15.41 +/- 1.60   0.014% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  16.97 +/- 0.74   0.008% *  0.0336% (0.18   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  18.31 +/- 1.43   0.005% *  0.0387% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   LYS+ 106  20.95 +/- 0.94   0.002% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  17.72 +/- 0.86   0.006% *  0.0305% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+  33  20.09 +/- 1.59   0.003% *  0.0520% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+  33  24.94 +/- 2.78   0.001% *  0.1561% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  19.69 +/- 1.90   0.004% *  0.0315% (0.17   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  21.89 +/- 1.09   0.002% *  0.0596% (0.32   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+ 106  22.23 +/- 2.26   0.002% *  0.0552% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    LYS+  81  22.73 +/- 0.60   0.001% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  21.65 +/- 1.33   0.002% *  0.0425% (0.23   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    LYS+  81  24.10 +/- 1.80   0.001% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  22.13 +/- 0.77   0.002% *  0.0471% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  25.13 +/- 0.91   0.001% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  23.89 +/- 0.90   0.001% *  0.0436% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 4.95, residual support = 124.4:
        T QD1   ILE   56 - QG2   ILE   56   2.87 +/- 0.51  99.841% * 99.6085% (0.98 10.00   4.95 124.38) = 100.000%  kept
          QD2   LEU   73 - QG2   ILE   56  12.05 +/- 1.39   0.043% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG2   ILE   56  14.14 +/- 1.15   0.013% *  0.1568% (0.15 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   ILE   56  13.24 +/- 1.42   0.017% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG2   ILE   56  10.98 +/- 2.35   0.081% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG2   ILE   56  18.01 +/- 1.83   0.003% *  0.0657% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 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 = 0.989, support = 0.02, residual support = 0.02:
        T HA    CYS   53 - QG2   ILE   56   3.42 +/- 1.51  94.909% * 49.9558% (0.99 10.00   0.02   0.02) =  99.819%  kept
          HA    GLU- 114 - QG2   ILE   56   8.93 +/- 1.28   5.013% *  1.2568% (0.25  1.00   0.02   0.02) =   0.133%
        T HA    ILE   19 - QG2   ILE   56  14.13 +/- 2.01   0.053% * 42.0992% (0.84 10.00   0.02   0.02) =   0.047%
          HA    THR   26 - QG2   ILE   56  19.61 +/- 2.27   0.008% *  2.8535% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - QG2   ILE   56  20.55 +/- 2.18   0.006% *  3.0570% (0.61  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   ILE   56  19.91 +/- 1.90   0.011% *  0.7777% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 7 structures by 0.80 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 = 0.881, support = 3.69, residual support = 17.9:
          HA    PHE   55 - QG2   ILE   56   4.91 +/- 0.86  39.036% * 88.0071% (0.92   4.22  20.43) =  84.902%  kept
          HA    ALA  110 - QG2   ILE   56   5.82 +/- 3.30  55.641% * 10.9702% (0.65   0.75   3.44) =  15.085%  kept
          HA    THR   46 - QG2   ILE   56   6.86 +/- 1.79   5.054% *  0.0895% (0.20   0.02   0.02) =   0.011%
          HA    VAL   42 - QG2   ILE   56  11.73 +/- 1.32   0.123% *  0.3621% (0.80   0.02   0.02) =   0.001%
          HA    GLN   90 - QG2   ILE   56  13.46 +/- 1.75   0.052% *  0.3456% (0.76   0.02   0.02) =   0.000%
          HA    GLN   17 - QG2   ILE   56  12.71 +/- 1.50   0.092% *  0.1128% (0.25   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   ILE   56  23.38 +/- 1.44   0.002% *  0.1128% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 1 structures by 0.39 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  10.95 +/- 0.94 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 2.91 A violated in 20 structures by 8.03 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.922, support = 5.33, residual support = 33.0:
          HN    ALA   57 - QG2   ILE   56   3.64 +/- 0.58  82.352% * 99.1190% (0.92   5.34  33.02) =  99.925%  kept
          HE21  GLN  116 - QG2   ILE   56   8.65 +/- 3.40  17.170% *  0.3490% (0.87   0.02   0.02) =   0.073%
          HN    ALA  120 - QG2   ILE   56   9.83 +/- 1.84   0.461% *  0.1959% (0.49   0.02   0.02) =   0.001%
          HE21  GLN   90 - QG2   ILE   56  15.92 +/- 1.62   0.017% *  0.3361% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 4 structures by 0.37 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 6.68, residual support = 124.4:
          HN    ILE   56 - QG2   ILE   56   2.73 +/- 0.39  92.386% * 98.5386% (0.65   6.68 124.38) =  99.991%  kept
          QE    PHE   60 - QG2   ILE   56   6.87 +/- 2.08   5.574% *  0.0902% (0.20   0.02   2.16) =   0.006%
          HN    LYS+ 111 - QG2   ILE   56   6.56 +/- 1.95   1.811% *  0.1268% (0.28   0.02   2.08) =   0.003%
          HN    LEU   63 - QG2   ILE   56   8.16 +/- 0.85   0.220% *  0.3484% (0.76   0.02   0.02) =   0.001%
          HZ2   TRP   87 - QG2   ILE   56  15.56 +/- 1.98   0.004% *  0.3484% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - QG2   ILE   56  18.46 +/- 2.00   0.001% *  0.4208% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - QG2   ILE   56  15.48 +/- 2.08   0.004% *  0.1268% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.802, support = 2.8, residual support = 8.4:
        T HB    THR   39 - QB    ALA   34   3.46 +/- 0.64  77.282% * 91.9897% (0.80 10.00   2.82   8.50) =  98.810%  kept
          HB3   SER   37 - QB    ALA   34   4.97 +/- 0.56  12.606% *  3.7616% (0.69  1.00   0.96   0.02) =   0.659%  kept
          HA    GLN   30 - QB    ALA   34   5.24 +/- 0.40   9.878% *  3.8616% (0.44  1.00   1.55   0.45) =   0.530%  kept
          QB    SER   13 - QB    ALA   34  13.41 +/- 2.91   0.195% *  0.0947% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   34  15.32 +/- 1.18   0.014% *  0.1017% (0.89  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   34  15.57 +/- 1.53   0.014% *  0.0385% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QB    ALA   34  17.18 +/- 1.29   0.007% *  0.0784% (0.69  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   34  23.24 +/- 0.93   0.001% *  0.0581% (0.51  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QB    ALA   34  19.23 +/- 1.00   0.003% *  0.0158% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 0.75, residual support = 4.9:
          HA    LEU   31 - QB    ALA   34   2.29 +/- 0.23 100.000% *100.0000% (0.65   0.75   4.90) = 100.000%  kept
    Distance limit 3.23 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 = 0.748, support = 2.95, residual support = 9.31:
        T QG1   VAL   41 - QB    ALA   34   2.16 +/- 0.36  96.875% * 90.0557% (0.75 10.00   2.96   9.33) =  99.814%  kept
          HG    LEU   31 - QB    ALA   34   4.79 +/- 0.53   1.847% *  8.7445% (0.83  1.00   1.76   4.90) =   0.185%
          QD2   LEU   73 - QB    ALA   34   5.11 +/- 0.65   1.076% *  0.0863% (0.72  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - QB    ALA   34   6.60 +/- 0.82   0.189% *  0.0697% (0.58  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QB    ALA   34  10.82 +/- 0.67   0.010% *  0.4432% (0.37 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   56 - QB    ALA   34  15.80 +/- 1.04   0.001% *  0.5672% (0.47 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QB    ALA   34  13.27 +/- 0.57   0.003% *  0.0333% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.03 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   2.94 +/- 0.05  99.921% * 98.6037% (0.62   3.32  18.77) = 100.000%  kept
          HN    PHE   97 - QB    ALA   34  10.02 +/- 0.68   0.069% *  0.2668% (0.28   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    ALA   34  15.89 +/- 2.46   0.009% *  0.8626% (0.89   0.02   0.02) =   0.000%
          HN    LEU  115 - QB    ALA   34  18.78 +/- 1.19   0.002% *  0.2668% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 3.71, residual support = 25.5:
      O   HN    ALA   34 - QB    ALA   34   2.00 +/- 0.08  99.996% * 99.6936% (0.58  10.0   3.71  25.47) = 100.000%  kept
          HN    THR   26 - QB    ALA   34  10.97 +/- 0.36   0.004% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    ALA   34  15.22 +/- 0.53   0.001% *  0.1178% (0.69   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  20.72 +/- 0.83   0.000% *  0.1458% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 3.51, residual support = 25.5:
      O   HN    ALA   34 - HA    ALA   34   2.76 +/- 0.01  99.615% * 99.6949% (0.87  10.0   3.51  25.47) = 100.000%  kept
          HN    GLN   32 - HA    ALA   34   6.98 +/- 0.10   0.383% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA   34  20.07 +/- 0.62   0.001% *  0.1031% (0.89   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  22.78 +/- 5.95   0.001% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  26.32 +/- 1.10   0.000% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  26.70 +/- 1.23   0.000% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  26.59 +/- 5.61   0.000% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  31.34 +/- 2.55   0.000% *  0.0237% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.88, support = 2.71, residual support = 7.74:
          HB    THR   39 - HA    ALA   34   2.95 +/- 0.44  66.041% * 81.1564% (0.88   2.92   8.50) =  91.028%  kept
          HB3   SER   37 - HA    ALA   34   3.48 +/- 0.67  33.220% * 15.8974% (0.89   0.56   0.02) =   8.969%  kept
          QB    SER   13 - HA    ALA   34  14.82 +/- 3.77   0.131% *  0.5479% (0.87   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    ALA   34   6.91 +/- 0.57   0.592% *  0.0994% (0.16   0.02   0.45) =   0.001%
          HB    THR   39 - HA    ALA  124  17.96 +/- 6.17   0.005% *  0.1278% (0.20   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA  124  14.31 +/- 0.45   0.005% *  0.0996% (0.16   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA   34  19.80 +/- 1.93   0.001% *  0.4339% (0.69   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA   34  20.52 +/- 1.45   0.001% *  0.4123% (0.65   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ALA  124  20.72 +/- 6.43   0.002% *  0.1300% (0.21   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA   34  22.81 +/- 1.50   0.000% *  0.5665% (0.89   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ALA  124  22.99 +/- 3.91   0.001% *  0.1258% (0.20   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA  124  28.73 +/- 2.06   0.000% *  0.1300% (0.21   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA   34  29.47 +/- 1.19   0.000% *  0.1264% (0.20   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ALA  124  25.19 +/- 5.23   0.000% *  0.0228% (0.04   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA  124  34.10 +/- 3.68   0.000% *  0.0946% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA  124  29.86 +/- 1.59   0.000% *  0.0290% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 55.4:
      O T HA    ASN   35 - HB2   ASN   35   2.75 +/- 0.03  99.842% * 97.5620% (0.90  10.0 10.00   4.02  55.42) =  99.999%  kept
        T HA    LEU   40 - HB2   ASN   35   9.55 +/- 0.55   0.059% *  0.7037% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   35   9.70 +/- 1.16   0.077% *  0.0831% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   ASN   28  12.86 +/- 0.33   0.010% *  0.3035% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   35  18.21 +/- 1.95   0.001% *  0.4877% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   ASN   28  15.58 +/- 0.44   0.003% *  0.2189% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   28  18.51 +/- 1.37   0.001% *  0.1517% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   28  15.88 +/- 1.17   0.003% *  0.0259% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   35  20.11 +/- 3.32   0.001% *  0.0488% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   35  23.88 +/- 5.61   0.000% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   28  20.28 +/- 2.55   0.001% *  0.0152% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  28.52 +/- 1.35   0.000% *  0.1004% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  26.92 +/- 1.03   0.000% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  27.90 +/- 4.51   0.000% *  0.0332% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  26.44 +/- 1.32   0.000% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  25.09 +/- 0.89   0.000% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  30.86 +/- 1.45   0.000% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  31.22 +/- 1.03   0.000% *  0.0139% (0.13   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 2506 (8.35, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 5.85, residual support = 55.4:
      O   HN    ASN   35 - HB2   ASN   35   2.45 +/- 0.48  99.941% * 99.6071% (0.57  10.0   5.85  55.42) = 100.000%  kept
          HN    LYS+  99 - HB2   ASN   35  10.97 +/- 1.09   0.022% *  0.0996% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ASN   28  10.58 +/- 0.30   0.029% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   35  19.26 +/- 4.26   0.002% *  0.0856% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASN   28  15.98 +/- 1.27   0.003% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   35  19.52 +/- 2.83   0.001% *  0.0600% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   35  21.05 +/- 3.30   0.001% *  0.0308% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   28  19.63 +/- 1.97   0.001% *  0.0187% (0.11   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  22.67 +/- 3.99   0.001% *  0.0266% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  21.43 +/- 3.23   0.001% *  0.0096% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.59, residual support = 55.4:
      O   HD21  ASN   35 - HB2   ASN   35   2.50 +/- 0.47  99.902% * 99.7208% (1.00  10.0   3.59  55.42) = 100.000%  kept
          HD21  ASN   35 - HB2   ASN   28  10.57 +/- 0.75   0.047% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   28  10.21 +/- 1.14   0.047% *  0.0237% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   35  16.96 +/- 1.61   0.002% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  20.14 +/- 1.23   0.001% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  20.62 +/- 2.69   0.001% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  24.28 +/- 1.85   0.000% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  22.44 +/- 1.12   0.000% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  30.92 +/- 1.99   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  27.51 +/- 2.74   0.000% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.948, support = 2.22, residual support = 7.6:
        T HA    GLN   32 - HB2   ASN   35   3.37 +/- 0.66  68.999% * 74.0782% (0.99 10.00   2.12   6.50) =  95.032%  kept
        T HA    GLU-  29 - HB2   ASN   28   3.96 +/- 0.23  27.001% *  7.9305% (0.11 10.00   4.82  35.57) =   3.981%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.53 +/- 0.23   3.193% * 16.5734% (0.22 10.00   1.99   1.28) =   0.984%  kept
        T HA    GLN   32 - HB2   ASN   28   7.99 +/- 0.50   0.426% *  0.2304% (0.31 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  29 - HB2   ASN   35   8.60 +/- 0.62   0.221% *  0.2549% (0.34 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   ASN   28  10.73 +/- 0.66   0.068% *  0.0518% (0.07 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   28  11.28 +/- 1.26   0.058% *  0.0104% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   35  22.13 +/- 0.98   0.001% *  0.3351% (0.45 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  14.09 +/- 1.27   0.015% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   35  17.95 +/- 1.24   0.003% *  0.0281% (0.38  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   28  23.11 +/- 1.07   0.001% *  0.1042% (0.14 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  18.35 +/- 1.24   0.003% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  16.23 +/- 0.80   0.005% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  20.37 +/- 1.55   0.001% *  0.0335% (0.45  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   35  24.01 +/- 2.02   0.001% *  0.0733% (0.98  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  20.58 +/- 1.82   0.001% *  0.0281% (0.38  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   35  21.10 +/- 2.13   0.001% *  0.0281% (0.38  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   28  21.64 +/- 1.41   0.001% *  0.0194% (0.26  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  28.90 +/- 1.48   0.000% *  0.0624% (0.84  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  25.42 +/- 1.38   0.000% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  30.74 +/- 1.42   0.000% *  0.0733% (0.98  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  22.09 +/- 1.12   0.001% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  25.37 +/- 3.99   0.001% *  0.0101% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  28.40 +/- 3.15   0.000% *  0.0031% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.85, residual support = 51.7:
          QB    GLU-  36 - HB3   ASN   35   3.99 +/- 0.16  97.400% * 98.6064% (0.99   4.85  51.73) =  99.997%  kept
          HB2   LYS+  38 - HB3   ASN   35   7.62 +/- 0.35   2.117% *  0.0719% (0.18   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HB3   ASN   35  10.40 +/- 0.47   0.348% *  0.3791% (0.92   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HB3   ASN   35  12.18 +/- 0.45   0.131% *  0.2325% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB3   ASN   35  23.12 +/- 1.23   0.003% *  0.3963% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB3   ASN   35  28.76 +/- 1.29   0.001% *  0.3138% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.727, support = 5.11, residual support = 46.3:
          QB    GLU-  36 - HB2   ASN   35   4.85 +/- 0.25  25.428% * 68.8449% (0.99  1.00   5.29  51.73) =  66.590%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.17 +/- 0.28  61.039% * 11.0980% (0.18  1.00   4.80  35.57) =  25.768%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.50 +/- 0.15  11.367% * 17.6564% (0.29  1.00   4.68  35.57) =   7.634%  kept
          HB2   LYS+  38 - HB2   ASN   35   7.79 +/- 0.49   1.561% *  0.0460% (0.18  1.00   0.02   0.02) =   0.003%
          HB3   GLU-  29 - HB2   ASN   35  10.35 +/- 0.59   0.265% *  0.2426% (0.92  1.00   0.02   0.02) =   0.002%
        T HB3   GLU-  79 - HB2   ASN   28  13.37 +/- 1.31   0.065% *  0.7889% (0.30 10.00   0.02   0.02) =   0.002%
          HG3   GLU-  29 - HB2   ASN   35  12.05 +/- 0.62   0.106% *  0.1488% (0.57  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HB2   ASN   28  11.42 +/- 0.63   0.151% *  0.0810% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   ASN   28  20.93 +/- 0.97   0.004% *  0.6247% (0.24 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB2   ASN   35  22.40 +/- 1.35   0.003% *  0.2536% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   ASN   28  17.65 +/- 0.39   0.010% *  0.0143% (0.05  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB2   ASN   35  27.73 +/- 1.55   0.001% *  0.2008% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.543, support = 1.9, residual support = 5.82:
          HA    GLN   32 - HB3   ASN   35   3.44 +/- 0.31  89.973% * 37.0989% (0.49  1.00   1.96   6.50) =  87.058%  kept
          HA    LYS+  33 - HB3   ASN   35   5.08 +/- 0.21   9.654% * 51.3705% (0.92  1.00   1.43   1.28) =  12.934%  kept
          HA    GLU-  29 - HB3   ASN   35   8.76 +/- 0.46   0.339% *  0.7691% (0.99  1.00   0.02   0.02) =   0.007%
        T HA    VAL   18 - HB3   ASN   35  18.46 +/- 1.07   0.004% *  7.7425% (1.00 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB3   ASN   35  13.63 +/- 0.95   0.027% *  0.5020% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   ASN   35  21.17 +/- 1.10   0.002% *  0.7742% (1.00  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   ASN   35  25.08 +/- 1.76   0.001% *  0.4083% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   ASN   35  27.62 +/- 2.43   0.000% *  0.5020% (0.65  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB3   ASN   35  29.75 +/- 1.09   0.000% *  0.5930% (0.76  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   ASN   35  31.69 +/- 1.15   0.000% *  0.2395% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.95, residual support = 55.4:
      O   HA    ASN   35 - HB3   ASN   35   3.01 +/- 0.02  99.864% * 99.4336% (0.90  10.0   3.95  55.42) = 100.000%  kept
          HA    LYS+  99 - HB3   ASN   35  10.61 +/- 1.07   0.066% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   ASN   35  10.31 +/- 0.45   0.064% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   ASN   35  18.32 +/- 1.87   0.002% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   ASN   35  19.84 +/- 3.38   0.002% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   ASN   35  24.48 +/- 5.72   0.001% *  0.1087% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  29.40 +/- 1.30   0.000% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  27.63 +/- 0.88   0.000% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  31.80 +/- 1.60   0.000% *  0.0456% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 55.4:
      O   HD21  ASN   35 - HB3   ASN   35   2.74 +/- 0.38  99.997% * 99.8105% (1.00  10.0   3.26  55.42) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  17.25 +/- 1.68   0.002% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  20.62 +/- 1.15   0.001% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  31.85 +/- 2.00   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  28.54 +/- 2.56   0.000% *  0.0249% (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 2515 (7.76, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.91, residual support = 51.7:
          HN    GLU-  36 - HB3   ASN   35   2.92 +/- 0.06  99.428% * 98.9717% (0.97   5.91  51.73) =  99.998%  kept
          HN    THR   39 - HB3   ASN   35   7.04 +/- 0.22   0.524% *  0.3112% (0.90   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB3   ASN   35  11.96 +/- 1.77   0.038% *  0.2898% (0.84   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   ASN   35  14.02 +/- 0.53   0.009% *  0.1071% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   ASN   35  19.93 +/- 1.30   0.001% *  0.3203% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 55.4:
      O   HN    ASN   35 - HB3   ASN   35   2.74 +/- 0.31  99.999% * 99.9102% (0.97  10.0   5.88  55.42) = 100.000%  kept
          HN    ALA   12 - HB3   ASN   35  20.61 +/- 3.43   0.001% *  0.0898% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 55.4:
      O   HD22  ASN   35 - HB3   ASN   35   3.74 +/- 0.18 100.000% *100.0000% (0.99  10.0   3.26  55.42) = 100.000%  kept
    Distance limit 4.00 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 = 51.7:
          HN    GLU-  36 - HB2   ASN   35   3.54 +/- 0.09  97.667% * 98.9280% (0.92   6.05  51.73) =  99.995%  kept
          HN    THR   39 - HB2   ASN   35   6.89 +/- 0.25   1.894% *  0.1863% (0.53   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HB2   ASN   35  10.89 +/- 1.85   0.294% *  0.3533% (1.00   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB2   ASN   28  11.93 +/- 0.49   0.070% *  0.1017% (0.29   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   28  13.64 +/- 1.20   0.034% *  0.0624% (0.18   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   ASN   28  16.06 +/- 2.09   0.017% *  0.1099% (0.31   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASN   28  14.80 +/- 0.24   0.019% *  0.0580% (0.16   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   35  18.85 +/- 1.67   0.005% *  0.2005% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.08 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   2.31 +/- 0.18  99.992% * 99.4140% (0.84  10.0 10.00   5.57  86.74) = 100.000%  kept
        T HA    GLU-  36 - HB3   GLU-  29  11.98 +/- 0.57   0.006% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    GLU-  36  20.05 +/- 1.57   0.000% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  22.93 +/- 5.80   0.000% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  18.85 +/- 0.92   0.000% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  23.54 +/- 0.79   0.000% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  23.67 +/- 1.42   0.000% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  28.12 +/- 1.32   0.000% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  29.38 +/- 5.05   0.000% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  26.70 +/- 1.73   0.000% *  0.0082% (0.07   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 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 3.72, residual support = 18.9:
          HN    SER   37 - QB    GLU-  36   3.49 +/- 0.25  82.498% * 95.6965% (0.45   3.72  18.93) =  99.941%  kept
          HN    LYS+  33 - QB    GLU-  36   4.76 +/- 0.26  13.052% *  0.3190% (0.28   0.02   0.02) =   0.053%
          HN    LYS+  33 - HB3   GLU-  29   5.88 +/- 0.44   4.212% *  0.0988% (0.09   0.02   0.02) =   0.005%
          HN    CYS   21 - HB3   GLU-  29  10.39 +/- 0.76   0.151% *  0.3431% (0.30   0.02   0.02) =   0.001%
          HN    CYS   21 - QB    GLU-  36  15.49 +/- 0.80   0.011% *  1.1073% (0.97   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   GLU-  29  11.48 +/- 0.53   0.071% *  0.1594% (0.14   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    GLU-  36  23.56 +/- 2.15   0.001% *  0.9953% (0.87   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    GLU-  36  23.39 +/- 1.19   0.001% *  0.7423% (0.65   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   GLU-  29  21.19 +/- 1.34   0.002% *  0.2300% (0.20   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   GLU-  29  26.44 +/- 1.87   0.000% *  0.3083% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.10 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   2.15 +/- 0.09  99.830% * 99.6455% (0.69  10.0   7.31  86.74) = 100.000%  kept
          HN    THR   39 - QB    GLU-  36   6.36 +/- 0.36   0.153% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   GLU-  29   9.86 +/- 0.46   0.011% *  0.0309% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    GLU-  36  13.94 +/- 1.56   0.002% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  13.07 +/- 0.50   0.002% *  0.0125% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  18.07 +/- 2.26   0.000% *  0.0390% (0.27   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  18.21 +/- 0.98   0.000% *  0.0362% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  20.31 +/- 1.08   0.000% *  0.0448% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  17.79 +/- 1.29   0.000% *  0.0139% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  21.29 +/- 1.13   0.000% *  0.0112% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 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   3.22 +/- 0.52  99.987% * 98.4022% (0.28   4.85  86.74) = 100.000%  kept
          HN    LYS+ 102 - HG2   GLU-  36  15.58 +/- 1.80   0.011% *  0.6541% (0.45   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG2   GLU-  36  20.10 +/- 1.39   0.002% *  0.9437% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.26 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   3.95 +/- 0.27  96.480% * 98.8133% (0.69   4.85  86.74) =  99.994%  kept
          HN    THR   39 - HG3   GLU-  36   7.32 +/- 1.11   3.117% *  0.1649% (0.28   0.02   0.02) =   0.005%
          HN    LYS+ 102 - HG3   GLU-  36  16.55 +/- 1.79   0.023% *  0.5144% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - QB    MET   11  17.74 +/- 3.77   0.326% *  0.0205% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    MET   11  17.65 +/- 3.55   0.040% *  0.0508% (0.09   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   GLU-  36  21.01 +/- 1.02   0.005% *  0.1479% (0.25   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG3   GLU-  36  23.73 +/- 1.16   0.002% *  0.1830% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    MET   11  26.43 +/- 4.00   0.003% *  0.0641% (0.11   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  27.11 +/- 2.91   0.002% *  0.0184% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  28.38 +/- 3.14   0.001% *  0.0228% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.03 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 +/- 0.02  99.992% * 99.6076% (0.28  10.0   6.06  86.74) = 100.000%  kept
          HN    LYS+ 102 - HA    GLU-  36  14.59 +/- 1.60   0.007% *  0.1606% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HA    GLU-  36  19.84 +/- 0.98   0.001% *  0.2318% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2525 (7.91, 4.03, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.42, residual support = 26.8:
      O   HN    SER   37 - HB2   SER   37   3.50 +/- 0.18  99.988% * 99.7690% (0.98  10.0   3.42  26.83) = 100.000%  kept
          HN    CYS   21 - HB2   SER   37  16.76 +/- 0.78   0.009% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   SER   37  21.37 +/- 2.49   0.002% *  0.0883% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  25.73 +/- 1.31   0.001% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.524, support = 0.0199, residual support = 0.0199:
          HN    GLN   30 - HB3   SER   37  11.00 +/- 0.71  41.801% * 12.9780% (0.47   0.02   0.02) =  45.926%  kept
          HN    GLU-  29 - HB3   SER   37  13.23 +/- 0.72  13.594% * 22.4691% (0.82   0.02   0.02) =  25.858%  kept
          HN    VAL   18 - QB    SER   13  12.07 +/- 1.08  26.132% *  4.8772% (0.18   0.02   0.02) =  10.790%  kept
          HN    GLN   30 - QB    SER   13  15.45 +/- 2.73   9.373% *  9.9312% (0.36   0.02   0.02) =   7.880%  kept
          HN    GLU-  29 - QB    SER   13  16.96 +/- 2.75   4.661% * 17.1942% (0.63   0.02   0.02) =   6.784%  kept
          HN    VAL   18 - HB3   SER   37  16.57 +/- 1.22   3.850% *  6.3735% (0.23   0.02   0.02) =   2.077%  kept
          HN    ASP-  86 - HB3   SER   37  24.00 +/- 1.34   0.398% * 14.8290% (0.54   0.02   0.02) =   0.500%
          HN    ASP-  86 - QB    SER   13  27.30 +/- 2.39   0.192% * 11.3477% (0.41   0.02   0.02) =   0.185%
    Distance limit 3.79 A violated in 20 structures by 5.63 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.63, residual support = 219.1:
      O   HN    LYS+  38 - HA    LYS+  38   2.21 +/- 0.01  96.856% * 99.8691% (0.92  10.0   6.63 219.14) =  99.999%  kept
          HN    SER   37 - HA    LYS+  38   4.02 +/- 0.01   2.666% *  0.0270% (0.25   1.0   0.02  13.62) =   0.001%
          HN    LYS+  38 - HA    GLU- 100   6.84 +/- 1.77   0.371% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100   8.26 +/- 1.83   0.085% *  0.0016% (0.02   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38  10.56 +/- 0.27   0.008% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  10.56 +/- 1.97   0.014% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  22.34 +/- 0.88   0.000% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  30.01 +/- 0.82   0.000% *  0.0527% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  22.67 +/- 1.47   0.000% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  28.92 +/- 1.19   0.000% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 6.25, residual support = 27.8:
      O   HN    THR   39 - HA    LYS+  38   3.09 +/- 0.03  89.432% * 99.6467% (0.92  10.0   6.25  27.76) =  99.996%  kept
          HN    GLU-  36 - HA    LYS+  38   5.32 +/- 0.03   3.409% *  0.1021% (0.95   1.0   0.02   0.63) =   0.004%
          HN    LYS+ 102 - HA    GLU- 100   5.28 +/- 0.63   4.520% *  0.0052% (0.05   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    GLU- 100   7.03 +/- 1.85   2.092% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    LYS+  38   9.83 +/- 1.39   0.133% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    GLU- 100   8.53 +/- 1.80   0.401% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  16.54 +/- 0.44   0.004% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  20.59 +/- 1.24   0.001% *  0.1021% (0.95   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  17.59 +/- 1.83   0.003% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  16.14 +/- 1.72   0.005% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2529 (7.91, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 0.02, residual support = 13.6:
          HN    SER   37 - HB2   LYS+  38   4.70 +/- 0.06  99.971% * 32.1378% (1.00   0.02  13.62) =  99.983%  kept
          HN    ILE  119 - HB2   LYS+  38  22.52 +/- 2.77   0.010% * 25.7912% (0.80   0.02   0.02) =   0.008%
          HN    CYS   21 - HB2   LYS+  38  20.34 +/- 0.72   0.016% * 10.9869% (0.34   0.02   0.02) =   0.005%
          HN    ILE   89 - HB2   LYS+  38  26.48 +/- 1.47   0.003% * 31.0842% (0.97   0.02   0.02) =   0.003%
    Distance limit 3.69 A violated in 19 structures by 1.01 A, eliminated.
    Peak unassigned.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.452, support = 5.25, residual support = 27.5:
          HN    THR   39 - HB2   LYS+  38   4.18 +/- 0.13  93.032% * 88.5628% (0.45   5.29  27.76) =  99.156%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.55 +/- 0.21   6.768% * 10.3418% (0.87   0.32   0.63) =   0.842%  kept
          HN    LYS+ 102 - HB2   LYS+  38  12.15 +/- 1.24   0.196% *  0.7319% (0.98   0.02   0.02) =   0.002%
          HD1   TRP   87 - HB2   LYS+  38  23.36 +/- 1.20   0.003% *  0.3635% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 2 structures by 0.83 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.788, support = 5.8, residual support = 213.1:
          HN    LYS+  38 - HG2   LYS+  38   3.23 +/- 0.22  91.163% * 74.9640% (0.80   5.86 219.14) =  97.047%  kept
          HN    SER   37 - HG2   LYS+  38   4.81 +/- 0.14   8.417% * 24.7042% (0.38   4.12  13.62) =   2.953%  kept
          HN    LYS+  38 - HG2   LYS+  99   8.65 +/- 1.00   0.309% *  0.0698% (0.22   0.02   0.02) =   0.000%
          HN    SER   37 - HG2   LYS+  99  10.23 +/- 1.03   0.109% *  0.0327% (0.10   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  25.59 +/- 1.56   0.000% *  0.0712% (0.22   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  21.29 +/- 1.90   0.001% *  0.0194% (0.06   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  38  32.20 +/- 0.88   0.000% *  0.1091% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  27.59 +/- 1.00   0.000% *  0.0297% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 5.49, residual support = 209.0:
          HN    LYS+  38 - HG3   LYS+  38   4.01 +/- 0.08  87.293% * 71.7755% (0.80   5.53 219.14) =  95.076%  kept
          HN    SER   37 - HG3   LYS+  38   5.62 +/- 0.12  11.595% * 27.9830% (0.38   4.60  13.62) =   4.924%  kept
          HN    LYS+  38 - HG3   LYS+  99   9.37 +/- 1.45   0.817% *  0.0271% (0.08   0.02   0.02) =   0.000%
          HN    SER   37 - HG3   LYS+  99  10.97 +/- 1.48   0.288% *  0.0127% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  38  25.99 +/- 2.18   0.001% *  0.0721% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  38  32.55 +/- 1.13   0.000% *  0.1105% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  21.37 +/- 1.83   0.004% *  0.0075% (0.02   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  27.64 +/- 0.86   0.001% *  0.0115% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.963, support = 3.85, residual support = 38.5:
      O   HN    THR   39 - HA    THR   39   2.86 +/- 0.02  96.177% * 95.2615% (0.97  10.0   3.85  38.55) =  99.833%  kept
          HN    LYS+ 102 - HA    ILE  103   4.99 +/- 0.21   3.550% *  4.3146% (0.24   1.0   3.64  22.38) =   0.167%
          HN    GLU-  36 - HA    THR   39   8.13 +/- 0.18   0.184% *  0.0885% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    THR   39  11.07 +/- 1.23   0.038% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  11.59 +/- 1.60   0.028% *  0.0320% (0.32   1.0   0.02   4.14) =   0.000%
          HN    THR   39 - HA    ILE  103  13.28 +/- 0.65   0.010% *  0.0315% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  15.63 +/- 0.93   0.004% *  0.0292% (0.30   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.67 +/- 0.53   0.003% *  0.0406% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  20.49 +/- 0.91   0.001% *  0.0968% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  16.02 +/- 1.09   0.003% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  17.35 +/- 2.18   0.003% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  26.25 +/- 1.43   0.000% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 4.02, residual support = 23.6:
      O   HN    LEU   40 - HA    THR   39   2.29 +/- 0.02  99.729% * 99.8247% (0.57  10.0   4.02  23.64) = 100.000%  kept
          HN    GLY  101 - HA    ILE  103   6.31 +/- 0.21   0.232% *  0.0353% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HA    THR   39   9.20 +/- 1.11   0.031% *  0.1069% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HA    ILE  103  10.97 +/- 0.55   0.009% *  0.0330% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 3.83, residual support = 38.5:
      O   HN    THR   39 - HB    THR   39   2.67 +/- 0.20  99.587% * 99.6727% (0.97  10.0   3.83  38.55) = 100.000%  kept
          HN    GLU-  36 - HB    THR   39   6.85 +/- 0.19   0.388% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   39  11.90 +/- 1.39   0.019% *  0.0750% (0.73   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    THR   39  14.17 +/- 0.69   0.005% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    THR   39  19.29 +/- 1.02   0.001% *  0.1012% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  25.05 +/- 1.53   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.91, residual support = 23.6:
          HN    LEU   40 - HB    THR   39   3.77 +/- 0.19  99.512% * 99.9088% (0.98   3.91  23.64) = 100.000%  kept
          HN    GLY  101 - HB    THR   39   9.76 +/- 1.25   0.488% *  0.0912% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.596, support = 0.227, residual support = 0.227:
          HN    LEU   71 - QG2   THR   39   3.19 +/- 0.44  99.868% * 55.5320% (0.60   0.23   0.23) =  99.993%  kept
          HN    GLU- 114 - QB    ALA   91  14.08 +/- 2.04   0.025% *  3.2953% (0.40   0.02   0.02) =   0.001%
          HN    THR  118 - QG2   THR   39  15.36 +/- 1.97   0.014% *  4.0306% (0.49   0.02   0.02) =   0.001%
          HN    PHE   60 - QG2   THR   39  14.32 +/- 1.04   0.016% *  2.4284% (0.30   0.02   0.02) =   0.001%
          HN    GLN  116 - QB    ALA   91  15.09 +/- 1.66   0.014% *  2.8081% (0.34   0.02   0.02) =   0.001%
          HN    GLN  116 - QG2   THR   39  17.41 +/- 1.80   0.006% *  5.9465% (0.72   0.02   0.02) =   0.001%
          HN    LEU   71 - QG2   THR   23  15.55 +/- 0.72   0.010% *  2.7442% (0.33   0.02   0.02) =   0.000%
          HN    PHE   60 - QB    ALA   91  13.48 +/- 1.01   0.021% *  1.1468% (0.14   0.02   0.02) =   0.000%
          HN    THR  118 - QB    ALA   91  15.35 +/- 1.82   0.012% *  1.9033% (0.23   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   THR   39  19.57 +/- 1.64   0.003% *  6.9783% (0.85   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ALA   91  18.76 +/- 1.30   0.003% *  2.3093% (0.28   0.02   0.02) =   0.000%
          HN    PHE   60 - QG2   THR   23  17.09 +/- 1.46   0.005% *  1.3627% (0.17   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   THR   23  22.97 +/- 1.13   0.001% *  3.3369% (0.41   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   THR   23  23.85 +/- 1.26   0.001% *  3.9158% (0.48   0.02   0.02) =   0.000%
          HN    THR  118 - QG2   THR   23  22.43 +/- 1.20   0.001% *  2.2618% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.11 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 = 3.67, residual support = 23.6:
          HN    LEU   40 - QG2   THR   39   2.56 +/- 0.39  99.998% * 99.4406% (0.66   3.67  23.64) = 100.000%  kept
          HN    LEU   40 - QG2   THR   23  17.87 +/- 0.74   0.001% *  0.3038% (0.37   0.02   0.02) =   0.000%
          HN    LEU   40 - QB    ALA   91  20.83 +/- 1.34   0.001% *  0.2556% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.602, support = 3.62, residual support = 15.0:
      O   HN    ALA   91 - QB    ALA   91   2.46 +/- 0.14  81.871% * 88.7295% (0.61  10.0   3.62  14.52) =  98.048%  kept
          HN    THR   39 - QG2   THR   39   3.48 +/- 0.38  13.922% * 10.3835% (0.38   1.0   3.75  38.55) =   1.951%  kept
          HN    TRP   27 - QG2   THR   23   4.68 +/- 0.94   3.923% *  0.0142% (0.10   1.0   0.02   0.73) =   0.001%
          HD1   TRP   87 - QB    ALA   91   8.27 +/- 0.83   0.067% *  0.1118% (0.76   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   39   7.25 +/- 0.72   0.156% *  0.0259% (0.18   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   91  10.90 +/- 1.48   0.014% *  0.0365% (0.25   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QG2   THR   39  12.91 +/- 0.88   0.004% *  0.0638% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39  10.65 +/- 1.21   0.016% *  0.0154% (0.11   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   91  15.54 +/- 0.82   0.001% *  0.1350% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA   91  14.77 +/- 0.93   0.002% *  0.0770% (0.53   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  11.43 +/- 0.90   0.009% *  0.0118% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  13.75 +/- 0.72   0.003% *  0.0363% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  16.87 +/- 0.86   0.001% *  0.0528% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  14.32 +/- 1.07   0.002% *  0.0093% (0.06   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  16.14 +/- 1.74   0.001% *  0.0172% (0.12   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  18.63 +/- 2.58   0.001% *  0.0326% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  22.75 +/- 1.16   0.000% *  0.1171% (0.80   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  17.22 +/- 0.80   0.001% *  0.0123% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  21.31 +/- 1.23   0.000% *  0.0419% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  16.50 +/- 1.33   0.001% *  0.0081% (0.06   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  14.52 +/- 1.03   0.002% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  15.85 +/- 0.98   0.001% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  23.85 +/- 0.96   0.000% *  0.0549% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  18.39 +/- 1.75   0.001% *  0.0034% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2542 (8.47, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 3.55, residual support = 14.2:
          HN    MET   92 - QB    ALA   91   2.75 +/- 0.73  97.717% * 96.9894% (0.87   3.55  14.21) =  99.991%  kept
          HN    THR   46 - QB    ALA   91   7.46 +/- 1.31   1.262% *  0.6170% (0.98   0.02   0.02) =   0.008%
          HN    LYS+ 112 - QB    ALA   91  13.14 +/- 2.18   0.210% *  0.2147% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   23   8.04 +/- 1.11   0.510% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   39  11.19 +/- 0.64   0.055% *  0.2578% (0.41   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   39  16.17 +/- 2.78   0.060% *  0.1564% (0.25   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   23  10.41 +/- 1.51   0.144% *  0.0649% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  74 - QB    ALA   91  13.94 +/- 1.05   0.016% *  0.5460% (0.87   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   39  16.77 +/- 0.55   0.004% *  0.2913% (0.46   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   23  15.44 +/- 1.95   0.018% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   39  20.95 +/- 1.20   0.001% *  0.2578% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   39  21.04 +/- 1.53   0.001% *  0.1014% (0.16   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   23  19.73 +/- 3.45   0.002% *  0.0348% (0.06   0.02   0.02) =   0.000%
          HN    MET   11 - QB    ALA   91  30.35 +/- 2.94   0.000% *  0.3312% (0.53   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  23.33 +/- 1.58   0.001% *  0.0226% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.664, support = 5.03, residual support = 77.0:
          HA    LEU   40 - QD2   LEU   40   2.68 +/- 0.63  57.434% * 62.9211% (0.61   6.05 104.32) =  70.574%  kept
          HA    LYS+  99 - QD2   LEU   40   2.93 +/- 0.76  42.435% * 35.5079% (0.80   2.59  11.46) =  29.425%  kept
          HA    LEU  123 - QD2   LEU   40  10.88 +/- 4.74   0.071% *  0.3400% (0.99   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU   40   8.98 +/- 0.68   0.046% *  0.3167% (0.92   0.02   0.02) =   0.000%
          HA    ILE   56 - QD2   LEU   40  15.73 +/- 1.35   0.003% *  0.3245% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU   40  13.70 +/- 1.43   0.005% *  0.1410% (0.41   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU   40  15.39 +/- 1.20   0.003% *  0.1538% (0.45   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU   40  15.97 +/- 1.63   0.003% *  0.1538% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU   40  17.88 +/- 2.32   0.001% *  0.1410% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 0.987, support = 4.51, residual support = 103.8:
          HA    LEU   40 - QD1   LEU   40   3.68 +/- 0.38  81.679% * 95.0893% (0.99   4.53 104.32) =  99.466%  kept
          HA    LYS+  99 - QD1   LEU   40   5.05 +/- 0.79  15.226% *  2.6866% (0.31   0.41  11.46) =   0.524%  kept
          HA    LEU  123 - QD1   LEU   40   9.63 +/- 4.49   2.296% *  0.2569% (0.61   0.02   0.02) =   0.008%
          HA    ASN   35 - QD1   LEU   40   9.75 +/- 0.44   0.246% *  0.1899% (0.45   0.02   0.02) =   0.001%
          HA    GLU-  15 - QD1   LEU   40  11.52 +/- 1.48   0.114% *  0.3799% (0.90   0.02   0.02) =   0.001%
          HA    SER   37 - QD1   LEU   40  10.55 +/- 0.35   0.169% *  0.1307% (0.31   0.02   0.02) =   0.000%
          HA    GLN   17 - QD1   LEU   40  10.99 +/- 1.25   0.157% *  0.1307% (0.31   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU   40  13.50 +/- 0.91   0.039% *  0.3910% (0.92   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU   40  15.99 +/- 2.28   0.018% *  0.3799% (0.90   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU   40  14.40 +/- 1.04   0.029% *  0.2062% (0.49   0.02   0.02) =   0.000%
          HA    THR   46 - QD1   LEU   40  14.38 +/- 0.50   0.026% *  0.1590% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.684, support = 0.685, residual support = 2.84:
        T HB3   HIS  122 - QD1   LEU   40   6.81 +/- 4.37  68.032% * 96.6845% (0.69 10.00   0.69   2.87) =  99.207%  kept
          QE    LYS+ 121 - QD1   LEU   40   8.99 +/- 2.79  18.312% *  2.8134% (0.34  1.00   0.40   0.02) =   0.777%  kept
          QE    LYS+  74 - QD1   LEU   40  10.61 +/- 0.96  12.484% *  0.0717% (0.18  1.00   0.02   0.02) =   0.014%
          HB3   ASP-  78 - QD1   LEU   40  19.84 +/- 0.76   0.327% *  0.3672% (0.90  1.00   0.02   0.02) =   0.002%
          QB    CYS   50 - QD1   LEU   40  16.42 +/- 1.53   0.845% *  0.0632% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 10 structures by 2.30 A, kept.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.916, support = 0.0199, residual support = 0.0199:
          HE21  GLN   30 - QD1   LEU   40   9.05 +/- 1.40  46.547% * 27.6510% (1.00   0.02   0.02) =  51.018%  kept
          QD    PHE   59 - QD1   LEU   40   9.42 +/- 1.46  37.579% * 23.0961% (0.84   0.02   0.02) =  34.404%  kept
          HD1   TRP   27 - QD1   LEU   40  11.19 +/- 1.64  15.499% * 23.0961% (0.84   0.02   0.02) =  14.189%  kept
          HH2   TRP   49 - QD1   LEU   40  21.16 +/- 1.80   0.375% * 26.1568% (0.95   0.02   0.02) =   0.389%
    Distance limit 3.73 A violated in 20 structures by 3.92 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.913, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD2   LEU   40  10.10 +/- 1.39  42.560% * 27.6510% (1.00   0.02   0.02) =  46.975%  kept
          QD    PHE   59 - QD2   LEU   40  10.62 +/- 1.64  32.684% * 23.0961% (0.84   0.02   0.02) =  30.132%  kept
          HD1   TRP   27 - QD2   LEU   40  11.34 +/- 1.62  24.180% * 23.0961% (0.84   0.02   0.02) =  22.292%  kept
          HH2   TRP   49 - QD2   LEU   40  21.83 +/- 1.64   0.576% * 26.1568% (0.95   0.02   0.02) =   0.601%  kept
    Distance limit 3.54 A violated in 20 structures by 4.96 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.6, residual support = 19.8:
          HN    VAL   41 - QD2   LEU   40   2.66 +/- 0.66 100.000% *100.0000% (0.73   4.60  19.76) = 100.000%  kept
    Distance limit 3.07 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.74, residual support = 10.3:
          HN    LEU   98 - QD2   LEU   40   2.71 +/- 0.57 100.000% *100.0000% (0.97   4.74  10.26) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.87, residual support = 104.3:
      O   HN    LEU   40 - HB3   LEU   40   2.37 +/- 0.35  99.800% * 99.9683% (0.98  10.0   4.87 104.32) = 100.000%  kept
          HN    GLY  101 - HB3   LEU   40   8.56 +/- 1.30   0.199% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HB3   LEU  115  18.11 +/- 1.99   0.001% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  20.39 +/- 1.99   0.000% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 4.7, residual support = 104.3:
      O   HN    LEU   40 - HB2   LEU   40   2.61 +/- 0.37  99.932% * 99.9908% (0.76  10.0   4.70 104.32) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67   9.72 +/- 1.45   0.068% *  0.0092% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 36.0:
          QG2   VAL   70 - HB2   LEU   40   4.25 +/- 0.68  55.863% * 99.9538% (0.80   3.99  35.97) =  99.963%  kept
          QG2   VAL   70 - HB2   LEU   67   4.83 +/- 1.83  44.137% *  0.0462% (0.07   0.02   0.38) =   0.037%
    Distance limit 3.49 A violated in 10 structures by 0.82 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 36.0:
        T QG2   VAL   70 - HB3   LEU   40   3.51 +/- 0.89  99.709% * 99.8828% (0.98 10.00   3.99  35.97) = 100.000%  kept
        T QG2   VAL   70 - HB3   LEU  115  10.83 +/- 1.69   0.291% *  0.1172% (0.12 10.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 3 structures by 0.30 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.197, support = 5.15, residual support = 101.3:
      O T HA    LEU   40 - HG    LEU   40   3.36 +/- 0.40  73.820% * 70.0704% (0.18  10.0 10.00   5.30 104.32) =  96.844%  kept
          HA    LYS+  99 - HG    LEU   40   4.89 +/- 0.94  11.905% * 10.7479% (0.98   1.0  1.00   0.55  11.46) =   2.396%  kept
          HA    ASP- 113 - HG    LEU  115   6.44 +/- 1.17   3.576% * 10.8986% (0.53   1.0  1.00   1.02   0.02) =   0.730%  kept
          HA    ILE   56 - HG    LEU  115   6.52 +/- 1.21   2.815% *  0.2009% (0.50   1.0  1.00   0.02   0.33) =   0.011%
          HA    PHE   59 - HG    LEU  115   6.57 +/- 1.91   6.495% *  0.0790% (0.20   1.0  1.00   0.02  29.37) =   0.010%
          HA    LEU  123 - HG    LEU   40  12.56 +/- 5.78   0.886% *  0.3058% (0.76   1.0  1.00   0.02   0.02) =   0.005%
        T HA    ASN   35 - HG    LEU   40  10.84 +/- 0.72   0.069% *  3.5882% (0.90   1.0 10.00   0.02   0.02) =   0.005%
          HA    LYS+  99 - HG    LEU   73  10.95 +/- 0.92   0.085% *  0.0731% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU  115  13.20 +/- 1.74   0.033% *  0.1770% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU   73   9.39 +/- 0.87   0.220% *  0.0131% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU   73  12.19 +/- 0.61   0.039% *  0.0669% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HG    LEU  115  18.21 +/- 2.46   0.005% *  0.4057% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   40  15.04 +/- 1.62   0.014% *  0.1365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   40  18.34 +/- 1.25   0.004% *  0.3471% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HG    LEU  115  25.28 +/- 2.39   0.001% *  2.0775% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   40  19.30 +/- 1.80   0.003% *  0.3693% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  115  18.88 +/- 2.62   0.004% *  0.2271% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU   73  18.30 +/- 4.20   0.010% *  0.0570% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   73  17.64 +/- 1.33   0.005% *  0.0647% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   73  15.55 +/- 1.37   0.011% *  0.0254% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   73  22.32 +/- 1.50   0.001% *  0.0689% (0.17   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 2556 (0.18, 1.46, 26.98 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.89, residual support = 36.0:
        T QG2   VAL   70 - HG    LEU   40   3.23 +/- 0.44  97.553% * 99.2404% (0.98 10.00   5.89  35.97) =  99.995%  kept
        T QG2   VAL   70 - HG    LEU   73   6.59 +/- 0.87   2.267% *  0.1850% (0.18 10.00   0.02   0.02) =   0.004%
        T QG2   VAL   70 - HG    LEU  115  11.18 +/- 2.19   0.180% *  0.5746% (0.57 10.00   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.47, residual support = 36.0:
          QG2   VAL   70 - QD1   LEU   40   1.83 +/- 0.20 100.000% *100.0000% (0.80   3.47  35.97) = 100.000%  kept
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.46, residual support = 36.0:
          QG2   VAL   70 - QD2   LEU   40   3.84 +/- 0.34 100.000% *100.0000% (0.53   4.46  35.97) = 100.000%  kept
    Distance limit 3.16 A violated in 5 structures by 0.68 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  11.64 +/- 1.08 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.56 A violated in 20 structures by 9.08 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.702, support = 4.5, residual support = 104.3:
      O T HG    LEU   40 - QD2   LEU   40   2.10 +/- 0.02  83.109% * 41.4375% (0.65  10.0 10.00   4.17 104.32) =  78.147%  kept
      O   HB3   LEU   40 - QD2   LEU   40   2.91 +/- 0.40  16.764% * 57.4464% (0.90  10.0  1.00   5.66 104.32) =  21.853%  kept
        T HG    LEU   73 - QD2   LEU   40   8.41 +/- 1.05   0.028% *  0.1268% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU   40   9.43 +/- 2.15   0.039% *  0.0490% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD2   LEU   40  12.82 +/- 2.22   0.002% *  0.6391% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD2   LEU   40  10.19 +/- 2.50   0.012% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD2   LEU   40   8.37 +/- 1.35   0.042% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD2   LEU   40  13.32 +/- 0.83   0.001% *  0.1781% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD2   LEU   40  12.29 +/- 1.81   0.003% *  0.0414% (0.65   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 2561 (1.75, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.245, support = 2.08, residual support = 11.5:
        T HB3   LYS+  99 - QD2   LEU   40   2.82 +/- 0.74  67.123% * 42.5749% (0.22 10.00   1.86  11.46) =  60.455%  kept
        T HB2   LYS+  99 - QD2   LEU   40   3.36 +/- 0.79  32.721% * 57.1282% (0.28 10.00   2.42  11.46) =  39.544%  kept
          HB    VAL   43 - QD2   LEU   40   8.20 +/- 0.82   0.145% *  0.0771% (0.38  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD2   LEU   40  12.42 +/- 1.26   0.009% *  0.0317% (0.15  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD2   LEU   40  15.19 +/- 0.94   0.002% *  0.1246% (0.61  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   40  19.10 +/- 0.97   0.001% *  0.0634% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.307, support = 1.22, residual support = 2.85:
          HB2   HIS  122 - QD2   LEU   40   7.26 +/- 4.71  75.060% * 93.7234% (0.31   1.23   2.87) =  99.543%  kept
          HA    LEU   63 - QD2   LEU   40  10.42 +/- 1.63  19.292% *  0.8673% (0.18   0.02   0.02) =   0.237%
          HA    LYS+ 112 - QD2   LEU   40  15.17 +/- 1.67   4.216% *  2.8038% (0.57   0.02   0.02) =   0.167%
          HB2   HIS   22 - QD2   LEU   40  17.33 +/- 1.40   1.433% *  2.6055% (0.53   0.02   0.02) =   0.053%
    Distance limit 3.50 A violated in 13 structures by 3.86 A, kept.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.47, residual support = 11.5:
          QE    LYS+  99 - QD2   LEU   40   2.77 +/- 0.63  99.646% * 98.4133% (0.69   3.47  11.46) =  99.997%  kept
          QE    LYS+ 102 - QD2   LEU   40   8.67 +/- 0.53   0.202% *  0.8251% (1.00   0.02   0.02) =   0.002%
          QE    LYS+  38 - QD2   LEU   40   9.29 +/- 1.02   0.153% *  0.7616% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.836, support = 1.09, residual support = 1.45:
        T HB3   PHE   97 - QD2   LEU   40   3.75 +/- 0.91  94.480% * 90.2550% (0.84 10.00   1.09   1.45) =  99.431%  kept
          HB2   GLU- 100 - QD2   LEU   40   6.88 +/- 0.67   5.250% *  9.2880% (0.99  1.00   0.95   0.02) =   0.569%  kept
          HB2   GLN  116 - QD2   LEU   40  14.44 +/- 1.94   0.068% *  0.1872% (0.95  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QD2   LEU   40  12.13 +/- 0.59   0.150% *  0.0675% (0.34  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD2   LEU   40  17.01 +/- 0.69   0.020% *  0.1280% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD2   LEU   40  16.21 +/- 1.56   0.031% *  0.0743% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.44, residual support = 104.3:
      O T HB2   LEU   40 - QD1   LEU   40   2.82 +/- 0.43  97.918% * 99.2435% (0.84  10.0 10.00   4.44 104.32) =  99.991%  kept
        T HB2   LEU   67 - QD1   LEU   40   6.90 +/- 1.79   1.691% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.009%
          HB3   MET   96 - QD1   LEU   40   8.35 +/- 0.84   0.283% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU   40  10.09 +/- 1.38   0.091% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   LEU   40  14.32 +/- 2.47   0.015% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD1   LEU   40  19.02 +/- 0.93   0.001% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.44, residual support = 104.3:
      O   HB2   LEU   40 - QD2   LEU   40   2.37 +/- 0.39  99.868% * 96.6350% (0.34  10.0  1.00   5.44 104.32) =  99.997%  kept
        T HB2   LEU   67 - QD2   LEU   40   9.11 +/- 1.92   0.113% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL   18 - QD2   LEU   40  12.14 +/- 1.41   0.011% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU   40  13.21 +/- 1.58   0.006% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU   40  17.57 +/- 1.38   0.001% *  0.1379% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU   40  20.40 +/- 0.92   0.000% *  0.2541% (0.90   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 2567 (1.47, 0.91, 26.66 ppm):
    9 chemical-shift based assignments, quality = 0.768, support = 4.47, residual support = 104.3:
      O   HG    LEU   40 - QD1   LEU   40   2.10 +/- 0.01  59.321% * 41.4524% (0.65  10.0  1.00   4.30 104.32) =  51.604%  kept
      O T HB3   LEU   40 - QD1   LEU   40   2.31 +/- 0.37  40.125% * 57.4671% (0.90  10.0 10.00   4.65 104.32) =  48.391%  kept
        T HG    LEU   67 - QD1   LEU   40   7.41 +/- 1.94   0.460% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   LEU  115 - QD1   LEU   40  11.39 +/- 1.73   0.004% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD1   LEU   40   7.22 +/- 1.14   0.067% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD1   LEU   40   9.57 +/- 2.23   0.012% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD1   LEU   40  11.80 +/- 2.06   0.003% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40  10.62 +/- 1.35   0.005% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  11.76 +/- 0.75   0.002% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2568 (0.91, 1.94, 42.31 ppm):
    6 chemical-shift based assignments, quality = 0.947, support = 4.43, residual support = 101.9:
      O T QD1   LEU   40 - HB2   LEU   40   2.82 +/- 0.43  56.878% * 92.1745% (1.00  10.0 10.00   4.44 104.32) =  94.233%  kept
      O   QD2   LEU   67 - HB2   LEU   67   3.00 +/- 0.32  42.096% *  7.6201% (0.08  10.0  1.00   4.26  62.34) =   5.766%  kept
        T QD1   LEU   40 - HB2   LEU   67   6.90 +/- 1.79   0.818% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   67 - HB2   LEU   40   8.44 +/- 1.89   0.201% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   40  16.75 +/- 0.95   0.002% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  17.95 +/- 2.80   0.006% *  0.0032% (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 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.65, residual support = 104.3:
      O T QD1   LEU   40 - HB3   LEU   40   2.31 +/- 0.37  99.702% * 99.7412% (1.00  10.0 10.00   4.65 104.32) = 100.000%  kept
          QD2   LEU   67 - HB3   LEU   40   7.83 +/- 1.60   0.206% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   40 - HB3   LEU  115  11.39 +/- 1.73   0.014% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU  115   8.63 +/- 0.89   0.063% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB3   LEU  115  12.81 +/- 2.25   0.014% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  16.76 +/- 1.09   0.001% *  0.0374% (0.38   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 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.867, support = 4.17, residual support = 104.3:
      O T QD2   LEU   40 - HG    LEU   40   2.10 +/- 0.02  83.380% * 96.1741% (0.87  10.0 10.00   4.17 104.32) =  99.984%  kept
        T QD1   LEU   67 - HG    LEU   40   7.76 +/- 2.47   1.175% *  0.9261% (0.84   1.0 10.00   0.02   0.02) =   0.014%
          QD1   ILE  119 - HG    LEU  115   3.72 +/- 1.13  14.574% *  0.0112% (0.10   1.0  1.00   0.02   8.44) =   0.002%
        T QD1   LEU   67 - HG    LEU   73   9.37 +/- 2.00   0.035% *  0.1727% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU  115  11.71 +/- 2.60   0.011% *  0.5362% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   40 - HG    LEU   73   8.41 +/- 1.05   0.026% *  0.1793% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   73   5.36 +/- 0.64   0.627% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   40   8.44 +/- 0.75   0.025% *  0.0805% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   40   7.11 +/- 0.76   0.072% *  0.0194% (0.18   1.0  1.00   0.02   2.02) =   0.000%
        T QD2   LEU   40 - HG    LEU  115  12.82 +/- 2.22   0.002% *  0.5568% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   73   7.55 +/- 0.39   0.042% *  0.0179% (0.16   1.0  1.00   0.02   0.10) =   0.000%
        T HG3   LYS+  74 - HG    LEU   40  16.34 +/- 0.93   0.000% *  0.6725% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU  115  16.29 +/- 2.42   0.001% *  0.3893% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   9.15 +/- 0.50   0.013% *  0.0125% (0.11   1.0  1.00   0.02  40.69) =   0.000%
          QD1   ILE  119 - HG    LEU   40  11.19 +/- 2.54   0.007% *  0.0194% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   40  13.84 +/- 1.07   0.001% *  0.0962% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU  115  12.84 +/- 1.53   0.002% *  0.0466% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   73  11.82 +/- 1.03   0.003% *  0.0150% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU  115  15.56 +/- 1.90   0.001% *  0.0557% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  12.78 +/- 2.21   0.003% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU  115  16.39 +/- 1.81   0.000% *  0.0112% (0.10   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 2571 (0.56, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.865, support = 3.89, residual support = 74.3:
      O T QG2   VAL   41 - QG1   VAL   41   2.06 +/- 0.05  85.497% * 95.5520% (0.87  10.0 10.00   3.90  74.50) =  99.750%  kept
          QD2   LEU   98 - QG1   VAL   41   3.40 +/- 0.68   9.565% *  1.9781% (0.69   1.0  1.00   0.52  31.76) =   0.231%
        T QD1   LEU   73 - QG1   VAL   41   4.32 +/- 1.03   4.157% *  0.3400% (0.31   1.0 10.00   0.02   0.02) =   0.017%
        T QD1   LEU   63 - QG2   VAL   18   6.62 +/- 1.37   0.211% *  0.2598% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QG2   VAL   18   7.35 +/- 0.87   0.052% *  0.2598% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG2   VAL   18   7.24 +/- 1.49   0.126% *  0.0755% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QG2   VAL   18   9.65 +/- 1.02   0.010% *  0.7302% (0.66   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   98 - QD2   LEU  104   6.12 +/- 0.93   0.177% *  0.0406% (0.04   1.0 10.00   0.02   7.72) =   0.000%
        T QG2   VAL   41 - QD2   LEU  104   7.23 +/- 1.36   0.136% *  0.0513% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41  10.05 +/- 1.50   0.010% *  0.3400% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG1   VAL   41   9.77 +/- 1.69   0.013% *  0.0988% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG2   VAL   18   9.77 +/- 1.70   0.013% *  0.0578% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG1   VAL   41  10.66 +/- 0.91   0.005% *  0.0757% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - QG2   VAL   18  11.00 +/- 1.14   0.005% *  0.0578% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  10.27 +/- 1.03   0.007% *  0.0183% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104  10.74 +/- 1.23   0.006% *  0.0183% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104  10.44 +/- 1.59   0.008% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  15.10 +/- 1.32   0.001% *  0.0406% (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 = 9.33:
          QB    ALA   34 - QG2   VAL   41   3.03 +/- 0.39  98.071% * 83.7284% (0.18   1.46   9.33) =  99.962%  kept
          HG2   LYS+  99 - QG2   VAL   41   7.27 +/- 1.32   1.596% *  1.3001% (0.20   0.02   0.02) =   0.025%
          QG2   THR   77 - QG2   VAL   41  10.81 +/- 0.68   0.067% *  6.2147% (0.95   0.02   0.02) =   0.005%
          HG2   LYS+  38 - QG2   VAL   41   9.12 +/- 0.77   0.163% *  1.8266% (0.28   0.02   0.02) =   0.004%
          QG2   THR   23 - QG2   VAL   41  10.64 +/- 0.92   0.077% *  2.9454% (0.45   0.02   0.02) =   0.003%
          QB    ALA   88 - QG2   VAL   41  12.70 +/- 0.91   0.026% *  3.9847% (0.61   0.02   0.02) =   0.001%
    Distance limit 3.15 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.34, support = 2.92, residual support = 31.7:
        T QB    LEU   98 - QG2   VAL   41   2.96 +/- 0.60  80.278% * 94.7192% (0.34 10.00   2.93  31.76) =  99.690%  kept
          HG    LEU   73 - QG2   VAL   41   4.62 +/- 1.22  19.057% *  1.2295% (0.31  1.00   0.29   0.02) =   0.307%
        T HB2   LEU   80 - QG2   VAL   41  11.12 +/- 0.98   0.051% *  2.2235% (0.80 10.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QG2   VAL   41  10.32 +/- 1.97   0.160% *  0.2771% (1.00  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - QG2   VAL   41  10.57 +/- 1.37   0.079% *  0.2680% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   41  10.29 +/- 0.96   0.081% *  0.1684% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QG2   VAL   41  10.67 +/- 1.16   0.068% *  0.1907% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   41   8.96 +/- 1.28   0.141% *  0.0618% (0.22  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   41  12.07 +/- 0.69   0.027% *  0.2319% (0.84  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   41  14.10 +/- 2.85   0.018% *  0.1796% (0.65  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   41  13.70 +/- 1.34   0.020% *  0.1352% (0.49  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   VAL   41  15.10 +/- 1.53   0.009% *  0.2722% (0.98  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   41  14.25 +/- 2.01   0.012% *  0.0428% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.19 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  10.96 +/- 0.85 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 2.96 A violated in 20 structures by 8.01 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.48, residual support = 74.5:
      O   HN    VAL   41 - HB    VAL   41   2.85 +/- 0.37 100.000% *100.0000% (0.47  10.0   4.48  74.50) = 100.000%  kept
    Distance limit 3.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.978, support = 2.91, residual support = 31.7:
          HN    LEU   98 - QG1   VAL   41   4.24 +/- 0.65  77.123% * 98.7053% (0.98   2.91  31.76) =  99.768%  kept
          HN    LEU   98 - QD2   LEU  104   5.67 +/- 0.77  22.713% *  0.7768% (0.05   0.43   7.72) =   0.231%
          HN    LEU   98 - QG2   VAL   18  12.21 +/- 0.83   0.163% *  0.5179% (0.75   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 7 structures by 0.61 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.585, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HB    VAL   41  11.41 +/- 1.33  56.127% * 34.1212% (0.66   0.02   0.02) =  72.889%  kept
          QE    PHE   59 - HB    VAL   41  13.08 +/- 2.65  32.279% * 12.0603% (0.23   0.02   0.02) =  14.816%  kept
          HN    LYS+  66 - HB    VAL   41  15.87 +/- 0.86   7.903% * 29.5320% (0.57   0.02   0.02) =   8.883%  kept
          HN    LYS+  81 - HB    VAL   41  18.06 +/- 1.15   3.691% * 24.2865% (0.47   0.02   0.02) =   3.412%  kept
    Distance limit 3.62 A violated in 20 structures by 6.52 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.16, residual support = 23.0:
      O   HN    VAL   42 - HA    VAL   41   2.21 +/- 0.03  99.781% * 99.8070% (0.98  10.0   5.16  22.98) = 100.000%  kept
          HN    LEU   73 - HA    VAL   41   6.37 +/- 0.50   0.203% *  0.0998% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HA    VAL   41  10.07 +/- 0.88   0.013% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   41  13.08 +/- 0.77   0.003% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 5.03, residual support = 38.3:
      O   HN    VAL   43 - HA    VAL   42   2.19 +/- 0.01 100.000% * 99.9765% (0.90  10.0   5.03  38.27) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  18.09 +/- 0.92   0.000% *  0.0235% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 2.72 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 = 0.353, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - QG2   VAL   41   2.57 +/- 1.04  99.039% * 16.0745% (0.34   0.02   0.02) =  97.662%  kept
          QG2   VAL   83 - QG2   VAL   41   7.84 +/- 0.76   0.740% * 37.7342% (0.80   0.02   0.02) =   1.713%  kept
          QD1   ILE   89 - QG2   VAL   41   9.48 +/- 1.23   0.220% * 46.1912% (0.98   0.02   0.02) =   0.625%  kept
    Distance limit 2.94 A violated in 3 structures by 0.31 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 = 0.704, support = 3.48, residual support = 17.6:
        T HB    VAL   41 - HB    VAL   42   5.95 +/- 0.23   8.803% * 92.9027% (0.84 10.00   4.19  22.98) =  68.024%  kept
          HB2   LEU   71 - HB    VAL   42   4.05 +/- 0.27  83.250% *  4.6121% (0.42  1.00   1.97   6.01) =  31.935%  kept
          HB3   PRO   52 - HB2   LYS+ 112   9.95 +/- 3.00   4.430% *  0.0412% (0.37  1.00   0.02   0.02) =   0.015%
          HG2   PRO   93 - HB2   LYS+ 112  10.52 +/- 2.65   1.797% *  0.0589% (0.53  1.00   0.02   0.02) =   0.009%
          QB    LYS+  66 - HB    VAL   42   9.82 +/- 1.18   0.780% *  0.0961% (0.87  1.00   0.02   0.02) =   0.006%
        T QB    LYS+ 102 - HB    VAL   42  12.32 +/- 0.75   0.119% *  0.6227% (0.56 10.00   0.02   0.02) =   0.006%
          HG12  ILE  103 - HB    VAL   42  10.83 +/- 0.93   0.261% *  0.0835% (0.75  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HB    VAL   42  11.12 +/- 0.50   0.217% *  0.0506% (0.46  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HB    VAL   42  14.13 +/- 3.71   0.149% *  0.0584% (0.53  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB2   LYS+ 112  14.52 +/- 1.45   0.052% *  0.0678% (0.61  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   LYS+ 112  14.66 +/- 1.84   0.057% *  0.0412% (0.37  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   42  16.10 +/- 1.31   0.027% *  0.0835% (0.75  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LYS+ 112  22.30 +/- 1.46   0.003% *  0.6556% (0.59 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   LYS+ 112  15.23 +/- 1.62   0.038% *  0.0357% (0.32  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HB2   LYS+ 112  22.90 +/- 1.04   0.003% *  0.4395% (0.40 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB    VAL   42  19.91 +/- 1.17   0.006% *  0.0584% (0.53  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LYS+ 112  21.42 +/- 1.46   0.004% *  0.0589% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   LYS+ 112  22.44 +/- 1.55   0.003% *  0.0331% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 6 structures by 0.76 A, kept.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.15, residual support = 84.1:
          HN    VAL   42 - QG2   VAL   42   3.41 +/- 0.17  87.083% * 77.1630% (0.64   5.29  87.33) =  96.286%  kept
          HN    LEU   73 - QG2   VAL   42   5.09 +/- 0.69  11.516% * 22.4816% (0.64   1.54   1.55) =   3.710%  kept
          HN    LYS+ 106 - QG2   VAL   42   7.90 +/- 0.90   0.973% *  0.2917% (0.64   0.02   0.02) =   0.004%
          HN    ILE   19 - QG2   VAL   42   8.45 +/- 0.98   0.429% *  0.0638% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.13, residual support = 38.3:
          HN    VAL   43 - QG2   VAL   42   3.59 +/- 0.21 100.000% *100.0000% (0.72   5.13  38.27) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.961, support = 3.99, residual support = 86.7:
      O T HA    VAL   42 - QG1   VAL   42   2.74 +/- 0.19  86.994% * 91.4883% (0.97  10.0 10.00   4.00  87.33) =  99.156%  kept
          HA    THR   46 - QB    ALA   47   3.81 +/- 0.06  12.378% *  5.4593% (0.44   1.0  1.00   2.63  12.69) =   0.842%  kept
        T HA    GLN   17 - QG1   VAL   42   8.22 +/- 0.87   0.160% *  0.5549% (0.59   1.0 10.00   0.02   0.02) =   0.001%
        T HA    PHE   55 - QB    ALA   47   9.68 +/- 0.81   0.055% *  0.4473% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   47   7.71 +/- 1.12   0.270% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - QB    ALA   47  14.50 +/- 0.59   0.004% *  0.7901% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG1   VAL   42  14.09 +/- 0.82   0.005% *  0.5180% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG1   VAL   42   9.96 +/- 0.50   0.042% *  0.0481% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   47  10.55 +/- 2.41   0.064% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   17 - QB    ALA   47  16.03 +/- 1.36   0.002% *  0.4792% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG1   VAL   42  13.33 +/- 0.44   0.007% *  0.0555% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG1   VAL   42  13.04 +/- 2.37   0.013% *  0.0254% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  14.98 +/- 0.68   0.004% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  25.89 +/- 0.86   0.000% *  0.0479% (0.51   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 2587 (7.28, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.917, support = 1.96, residual support = 6.6:
          QD    PHE   60 - QG1   VAL   42   4.02 +/- 1.34  71.853% * 89.6551% (0.93   2.00   6.76) =  97.562%  kept
          QE    PHE   59 - QG1   VAL   42   6.20 +/- 2.23  23.684% *  6.6617% (0.33   0.42   0.02) =   2.390%  kept
          HN    LYS+  66 - QG1   VAL   42   7.96 +/- 0.69   2.215% *  0.7760% (0.81   0.02   0.02) =   0.026%
          QD    PHE   60 - QB    ALA   47   9.14 +/- 1.03   1.484% *  0.7742% (0.80   0.02   0.02) =   0.017%
          HN    LYS+  81 - QB    ALA   47  10.83 +/- 1.56   0.377% *  0.5511% (0.57   0.02   0.02) =   0.003%
          QE    PHE   59 - QB    ALA   47  11.29 +/- 1.72   0.339% *  0.2737% (0.28   0.02   0.02) =   0.001%
          HN    LYS+  81 - QG1   VAL   42  15.15 +/- 0.58   0.032% *  0.6381% (0.66   0.02   0.02) =   0.000%
          HN    LYS+  66 - QB    ALA   47  17.79 +/- 0.78   0.017% *  0.6701% (0.70   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 4 structures by 0.58 A, kept.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.773, support = 3.79, residual support = 56.6:
          HN    VAL   42 - QG1   VAL   42   3.43 +/- 0.17  23.338% * 84.2912% (0.77   5.39  87.33) =  64.207%  kept
          HN    LEU   73 - QG1   VAL   42   2.80 +/- 0.68  75.843% * 14.4576% (0.77   0.92   1.55) =  35.789%  kept
          HN    LYS+ 106 - QG1   VAL   42   8.99 +/- 1.11   0.235% *  0.3129% (0.77   0.02   0.02) =   0.002%
          HN    ILE   19 - QG1   VAL   42   6.40 +/- 0.94   0.562% *  0.0684% (0.17   0.02   0.02) =   0.001%
          HN    LEU   73 - QB    ALA   47  13.16 +/- 0.66   0.009% *  0.2702% (0.67   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QB    ALA   47  15.28 +/- 1.34   0.003% *  0.2702% (0.67   0.02   0.02) =   0.000%
          HN    VAL   42 - QB    ALA   47  15.73 +/- 0.51   0.003% *  0.2702% (0.67   0.02   0.02) =   0.000%
          HN    ILE   19 - QB    ALA   47  14.19 +/- 1.03   0.006% *  0.0591% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 38.3:
          HN    VAL   43 - QG1   VAL   42   3.05 +/- 0.21  99.931% * 99.3941% (0.40   5.13  38.27) = 100.000%  kept
          HN    VAL   43 - QB    ALA   47  12.88 +/- 0.51   0.022% *  0.3348% (0.34   0.02   0.02) =   0.000%
          HN    VAL   24 - QG1   VAL   42  12.46 +/- 0.99   0.025% *  0.1455% (0.15   0.02   0.02) =   0.000%
          HN    VAL   24 - QB    ALA   47  13.14 +/- 1.24   0.022% *  0.1257% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2590 (9.40, 0.37, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.432, support = 0.02, residual support = 0.02:
          HN    LEU  104 - QG1   VAL   42   8.35 +/- 0.74  98.463% * 53.6601% (0.43   0.02   0.02) =  98.670%  kept
          HN    LEU  104 - QB    ALA   47  17.55 +/- 1.17   1.537% * 46.3399% (0.37   0.02   0.02) =   1.330%  kept
    Distance limit 3.70 A violated in 20 structures by 4.62 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.75, residual support = 16.0:
          HN    TRP   49 - QB    ALA   47   2.76 +/- 0.28  99.529% * 95.0757% (0.29   3.75  16.03) =  99.995%  kept
          HE22  GLN   30 - QG1   VAL   42   7.89 +/- 1.05   0.288% *  0.9148% (0.53   0.02   0.02) =   0.003%
          HD22  ASN   69 - QG1   VAL   42   9.02 +/- 1.24   0.177% *  1.0523% (0.61   0.02   0.02) =   0.002%
          HE22  GLN   30 - QB    ALA   47  17.39 +/- 1.52   0.002% *  1.1944% (0.69   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   42  15.88 +/- 0.66   0.003% *  0.3888% (0.22   0.02   0.02) =   0.000%
          HD22  ASN   69 - QB    ALA   47  22.37 +/- 1.44   0.001% *  1.3739% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2592 (7.03, 0.37, 21.60 ppm):
    4 chemical-shift based assignments, quality = 0.391, support = 2.35, residual support = 10.9:
      O   HN    ALA   47 - QB    ALA   47   2.42 +/- 0.12  91.008% * 93.4110% (0.39  10.0   2.36  10.97) =  99.341%  kept
          QD    PHE   95 - QG1   VAL   42   4.35 +/- 1.27   8.951% *  6.2982% (0.70   1.0   0.75   1.44) =   0.659%  kept
          QD    PHE   95 - QB    ALA   47   9.56 +/- 1.08   0.034% *  0.2193% (0.91   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QG1   VAL   42  11.91 +/- 0.53   0.007% *  0.0715% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.587, support = 3.44, residual support = 27.5:
          HB    VAL   42 - QG1   VAL   43   5.49 +/- 0.69   5.546% * 66.0141% (0.62  1.00   4.71  38.27) =  61.116%  kept
        T HB3   LEU   73 - QG1   VAL   43   4.74 +/- 1.54  41.153% *  3.1190% (0.69 10.00   0.02   8.35) =  21.426%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.33 +/- 0.77   3.281% * 27.8586% (0.34  1.00   3.64  15.39) =  15.256%  kept
          HG    LEU   98 - QG1   VAL   43   4.48 +/- 1.49  47.814% *  0.2640% (0.58  1.00   0.02   0.02) =   2.107%  kept
          HG3   LYS+ 106 - QG1   VAL   43   8.00 +/- 1.15   0.634% *  0.3861% (0.85  1.00   0.02   0.02) =   0.041%
          QB    ALA   84 - QG1   VAL   43   8.49 +/- 0.73   0.376% *  0.3119% (0.69  1.00   0.02   0.02) =   0.020%
          HB3   PRO   93 - QG1   VAL   43  10.12 +/- 1.02   0.176% *  0.3268% (0.72  1.00   0.02   0.02) =   0.010%
          HG3   LYS+ 102 - QG1   VAL   43  10.53 +/- 1.48   0.150% *  0.3268% (0.72  1.00   0.02   0.02) =   0.008%
          HB3   LEU   80 - QG1   VAL   43   7.96 +/- 0.93   0.561% *  0.0808% (0.18  1.00   0.02   0.02) =   0.008%
          HG3   LYS+  33 - QG1   VAL   43  10.67 +/- 1.24   0.119% *  0.2475% (0.54  1.00   0.02   0.02) =   0.005%
          HB2   LEU   63 - QG1   VAL   43  10.33 +/- 1.16   0.144% *  0.1135% (0.25  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  65 - QG1   VAL   43  14.75 +/- 1.24   0.013% *  0.2803% (0.62  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QG1   VAL   43  16.24 +/- 1.33   0.009% *  0.3540% (0.78  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QG1   VAL   43  15.83 +/- 2.81   0.014% *  0.2147% (0.47  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   43  15.61 +/- 1.97   0.012% *  0.1018% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.287, support = 1.78, residual support = 9.16:
        T HH2   TRP   27 - QG1   VAL   43   3.00 +/- 0.86  77.320% * 49.3931% (0.31 10.00   1.43   9.16) =  76.891%  kept
        T HZ3   TRP   27 - QG1   VAL   43   3.86 +/- 0.86  22.680% * 50.6069% (0.22 10.00   2.96   9.16) =  23.109%  kept
    Distance limit 2.91 A violated in 2 structures by 0.25 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.05, residual support = 59.9:
          HN    VAL   43 - QG1   VAL   43   2.47 +/- 0.65 100.000% *100.0000% (0.80   5.05  59.93) = 100.000%  kept
    Distance limit 3.19 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.382, support = 3.64, residual support = 15.4:
          HN    ASP-  44 - QG2   VAL   43   3.10 +/- 0.41  83.790% * 81.5902% (0.39   3.71  15.39) =  96.633%  kept
          HN    ASN   28 - QD2   LEU   31   4.79 +/- 0.86  14.211% * 16.6984% (0.18   1.62  16.75) =   3.354%  kept
          HN    ASN   28 - QG2   VAL   43   6.97 +/- 0.82   0.965% *  0.7176% (0.63   0.02   0.02) =   0.010%
          HN    GLU-  25 - QG2   VAL   43   8.77 +/- 1.03   0.218% *  0.4090% (0.36   0.02   0.02) =   0.001%
          HN    ASP-  44 - QD2   LEU   31   7.91 +/- 0.80   0.510% *  0.1263% (0.11   0.02   0.02) =   0.001%
          HN    GLU-  25 - QD2   LEU   31   8.53 +/- 0.82   0.270% *  0.1173% (0.10   0.02   0.02) =   0.000%
          HN    ASN   69 - QG2   VAL   43  13.35 +/- 0.62   0.016% *  0.2652% (0.23   0.02   0.02) =   0.000%
          HN    ASN   69 - QD2   LEU   31  13.06 +/- 1.46   0.020% *  0.0761% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 59.9:
      O   HN    VAL   43 - HB    VAL   43   2.95 +/- 0.45 100.000% *100.0000% (0.87  10.0   4.23  59.93) = 100.000%  kept
    Distance limit 3.41 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   3.81 +/- 0.45 100.000% *100.0000% (0.51   1.50  16.41) = 100.000%  kept
    Distance limit 3.68 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.41, residual support = 19.1:
        T QD    PHE   45 - HB3   ASP-  44   4.50 +/- 0.13 100.000% *100.0000% (0.80 10.00   4.41  19.14) = 100.000%  kept
    Distance limit 3.76 A violated in 1 structures by 0.74 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.7, residual support = 37.8:
      O   HN    ASP-  44 - HB3   ASP-  44   3.43 +/- 0.37  99.964% * 99.8560% (0.98  10.0   3.70  37.77) = 100.000%  kept
          HN    GLU-  25 - HB3   ASP-  44  15.05 +/- 1.24   0.015% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASP-  44  14.16 +/- 1.06   0.021% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 2.1, residual support = 6.08:
          HA    LYS+  74 - HB2   ASP-  44   3.59 +/- 0.50  99.888% * 92.3687% (0.92  1.00   2.10   6.08) =  99.991%  kept
        T HA    MET   92 - HB2   ASP-  44  11.82 +/- 1.31   0.112% *  7.6313% (0.80 10.00   0.02   0.02) =   0.009%
    Distance limit 3.90 A violated in 0 structures by 0.07 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   2.61 +/- 0.23  99.989% * 99.8560% (0.98  10.0   3.03  37.77) = 100.000%  kept
          HN    GLU-  25 - HB2   ASP-  44  14.37 +/- 0.93   0.004% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASP-  44  13.30 +/- 0.75   0.007% *  0.0457% (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 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.501, support = 3.9, residual support = 28.8:
      O   HN    ASP-  44 - HA    ASP-  44   2.91 +/- 0.01  19.202% * 81.9551% (0.80  10.0   3.77  37.77) =  52.078%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.29 +/- 0.02  80.789% * 17.9245% (0.18  10.0   4.04  19.14) =  47.922%  kept
          HN    ALA  110 - HA    ASP-  44  11.94 +/- 2.44   0.007% *  0.0349% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    ASP-  44  14.76 +/- 0.90   0.001% *  0.0855% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 4.53:
          HA    PHE   95 - HA    ASP-  44   2.88 +/- 0.67 100.000% *100.0000% (0.87   2.00   4.53) = 100.000%  kept
    Distance limit 3.55 A violated in 1 structures by 0.08 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 27.2:
        T HB    THR   94 - HB2   PHE   45   3.41 +/- 0.67  99.128% * 98.9931% (0.65 10.00   2.96  27.18) =  99.999%  kept
          QB    SER   48 - HB2   PHE   45  10.43 +/- 0.68   0.238% *  0.1169% (0.76  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   PHE   45   9.82 +/- 0.95   0.335% *  0.0522% (0.34  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PHE   45  12.09 +/- 0.70   0.076% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   45  13.16 +/- 0.66   0.052% *  0.0745% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PHE   45  11.40 +/- 0.61   0.114% *  0.0268% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   45  14.50 +/- 1.21   0.030% *  0.0382% (0.25  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PHE   45  18.34 +/- 0.82   0.007% *  0.1413% (0.92  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PHE   45  18.79 +/- 1.33   0.006% *  0.1448% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PHE   45  20.20 +/- 0.97   0.004% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  19.36 +/- 1.66   0.006% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  20.87 +/- 0.99   0.003% *  0.0303% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 1 structures by 0.25 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 1.83, residual support = 8.54:
          QG2   THR   77 - HB2   PHE   45   3.99 +/- 0.86  91.385% * 94.3269% (0.45   1.83   8.55) =  99.911%  kept
          QG2   ILE   56 - HB2   PHE   45   7.70 +/- 2.16   6.198% *  1.0283% (0.45   0.02   0.02) =   0.074%
          QB    ALA   88 - HB2   PHE   45   9.85 +/- 0.67   2.117% *  0.3539% (0.15   0.02   0.02) =   0.009%
          QG2   THR   23 - HB2   PHE   45  12.51 +/- 1.05   0.157% *  2.1696% (0.95   0.02   0.02) =   0.004%
          QB    ALA   34 - HB2   PHE   45  14.54 +/- 0.64   0.137% *  1.4837% (0.65   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HB2   PHE   45  24.51 +/- 1.44   0.006% *  0.6377% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 3 structures by 0.44 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 0.75, residual support = 7.71:
        T QG2   ILE   89 - HB2   PHE   45   4.11 +/- 0.51  98.644% * 99.8023% (1.00 10.00   0.75   7.71) =  99.998%  kept
          QG1   VAL   83 - HB2   PHE   45   9.06 +/- 1.47   1.284% *  0.1510% (0.57  1.00   0.02   3.01) =   0.002%
          QD1   LEU  104 - HB2   PHE   45  14.72 +/- 1.16   0.072% *  0.0467% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 5 structures by 0.51 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.25, residual support = 8.55:
          QG2   THR   77 - HB3   PHE   45   2.66 +/- 0.95  97.357% * 96.7442% (0.87   2.25   8.55) =  99.976%  kept
          QB    ALA   88 - HB3   PHE   45   9.47 +/- 0.90   2.215% *  0.9826% (0.99   0.02   0.02) =   0.023%
          HB3   LEU   80 - HB3   PHE   45   8.41 +/- 1.11   0.394% *  0.1962% (0.20   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HB3   PHE   45  15.87 +/- 2.43   0.014% *  0.3721% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   PHE   45  16.84 +/- 0.77   0.013% *  0.3060% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   PHE   45  20.51 +/- 1.14   0.006% *  0.6413% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   PHE   45  24.72 +/- 0.54   0.001% *  0.7576% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 1 structures by 0.15 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.75, residual support = 7.71:
        T QG2   ILE   89 - HB3   PHE   45   3.49 +/- 0.39 100.000% *100.0000% (0.69 10.00   0.75   7.71) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.22, residual support = 80.3:
      O   QD    PHE   45 - HB2   PHE   45   2.66 +/- 0.08  99.994% * 99.6976% (0.65  10.0   4.22  80.26) = 100.000%  kept
          HD2   HIS  122 - HB2   PHE   45  14.94 +/- 1.99   0.004% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB2   PHE   45  18.68 +/- 1.59   0.001% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   PHE   45  19.42 +/- 2.06   0.001% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 80.3:
      O   HN    PHE   45 - HB2   PHE   45   2.36 +/- 0.08  99.686% * 99.8082% (0.73  10.0   3.68  80.26) = 100.000%  kept
          HN    ASP-  44 - HB2   PHE   45   6.34 +/- 0.26   0.282% *  0.0306% (0.22   1.0   0.02  19.14) =   0.000%
          HN    ALA  110 - HB2   PHE   45  10.49 +/- 2.46   0.030% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PHE   45  15.04 +/- 0.82   0.002% *  0.0343% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.93, residual support = 80.3:
      O   QD    PHE   45 - HB3   PHE   45   2.37 +/- 0.15  99.998% * 99.6976% (0.65  10.0   4.93  80.26) = 100.000%  kept
          HD2   HIS  122 - HB3   PHE   45  16.47 +/- 1.98   0.001% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB3   PHE   45  20.22 +/- 1.65   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   PHE   45  19.64 +/- 2.31   0.000% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 4.0, residual support = 80.3:
      O   HN    PHE   45 - HB3   PHE   45   3.55 +/- 0.05  97.845% * 99.8082% (0.73  10.0   4.00  80.26) =  99.999%  kept
          HN    ASP-  44 - HB3   PHE   45   6.83 +/- 0.17   1.985% *  0.0306% (0.22   1.0   0.02  19.14) =   0.001%
          HN    ALA  110 - HB3   PHE   45  11.82 +/- 2.41   0.141% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB3   PHE   45  13.96 +/- 0.88   0.029% *  0.0343% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 1.23, residual support = 3.96:
          HA    ASP-  76 - QG2   THR   46   2.90 +/- 1.05 100.000% *100.0000% (0.41   1.23   3.96) = 100.000%  kept
    Distance limit 3.29 A violated in 2 structures by 0.28 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   2.36 +/- 0.25  99.466% * 97.6985% (0.76   3.39  34.52) =  99.997%  kept
          HN    LYS+  74 - QG2   THR   46   6.92 +/- 0.86   0.220% *  0.7550% (1.00   0.02   0.16) =   0.002%
          HN    MET   92 - QG2   THR   46   8.11 +/- 1.93   0.305% *  0.4274% (0.57   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   46  14.10 +/- 1.85   0.008% *  0.4884% (0.65   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   46  22.54 +/- 4.03   0.001% *  0.6306% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 3.2, residual support = 12.7:
          HN    ALA   47 - QG2   THR   46   3.50 +/- 0.46  97.563% * 97.9531% (0.25   3.21  12.69) =  99.948%  kept
          QD    PHE   95 - QG2   THR   46   8.03 +/- 1.51   2.437% *  2.0469% (0.84   0.02   0.02) =   0.052%
    Distance limit 3.83 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.295, support = 0.64, residual support = 0.208:
          QB    CYS   50 - QG2   THR   46   4.98 +/- 1.48  19.199% * 75.1840% (0.31   0.99   0.25) =  55.262%  kept
          QE    LYS+  74 - QG2   THR   46   3.07 +/- 0.86  80.720% * 14.4729% (0.28   0.21   0.16) =  44.725%  kept
          HB2   PHE   72 - QG2   THR   46  10.57 +/- 0.89   0.054% *  4.9242% (1.00   0.02   0.02) =   0.010%
          HA    ALA   64 - QG2   THR   46  12.29 +/- 1.10   0.025% *  2.0289% (0.41   0.02   0.02) =   0.002%
          HB3   ASN   69 - QG2   THR   46  19.28 +/- 0.86   0.002% *  3.3900% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.04 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 = 9.47:
      O   HN    SER   48 - HA    SER   48   2.75 +/- 0.05  99.996% * 99.9333% (0.49  10.0   2.61   9.47) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  15.51 +/- 1.17   0.003% *  0.0439% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  24.41 +/- 1.09   0.000% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 2.54, residual support = 9.47:
      O   HN    SER   48 - QB    SER   48   2.27 +/- 0.15  99.996% * 99.9496% (0.95  10.0   2.54   9.47) = 100.000%  kept
          HN    SER   48 - QB    SER   85  13.73 +/- 1.55   0.004% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  20.95 +/- 1.47   0.000% *  0.0260% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 3.99, residual support = 73.9:
      O   HN    TRP   49 - HB2   TRP   49   3.60 +/- 0.05  70.341% * 97.0345% (0.95  10.0   3.99  74.74) =  98.777%  kept
          HN    CYS   50 - HB2   TRP   49   4.18 +/- 0.21  29.658% *  2.8505% (0.15   1.0   3.60   3.19) =   1.223%  kept
          HE22  GLN   30 - HB2   TRP   49  25.92 +/- 1.91   0.001% *  0.0947% (0.92   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  31.88 +/- 1.79   0.000% *  0.0203% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2622 (7.36, 3.69, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 3.83, residual support = 74.7:
      O   HD1   TRP   49 - HB2   TRP   49   3.66 +/- 0.46  99.988% * 99.6923% (0.80  10.0   3.83  74.74) = 100.000%  kept
          HD2   HIS   22 - HB2   TRP   49  23.13 +/- 3.06   0.003% *  0.1149% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   TRP   49  19.06 +/- 2.08   0.007% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   TRP   49  26.27 +/- 0.82   0.001% *  0.0558% (0.45   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   TRP   49  33.74 +/- 1.17   0.000% *  0.1178% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 3.99, residual support = 74.7:
      O   HN    TRP   49 - HB3   TRP   49   2.66 +/- 0.25  93.108% * 99.8654% (0.79  10.0   3.99  74.74) =  99.999%  kept
          HN    CYS   50 - HB3   TRP   49   4.14 +/- 0.24   6.891% *  0.0163% (0.13   1.0   0.02   3.19) =   0.001%
          HE22  GLN   30 - HB3   TRP   49  25.26 +/- 2.11   0.000% *  0.0975% (0.77   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  31.78 +/- 1.71   0.000% *  0.0209% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2624 (7.36, 3.15, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 3.83, residual support = 74.7:
      O   HD1   TRP   49 - HB3   TRP   49   3.21 +/- 0.31  99.994% * 99.6923% (0.67  10.0   3.83  74.74) = 100.000%  kept
          HD2   HIS   22 - HB3   TRP   49  22.37 +/- 3.30   0.001% *  0.1149% (0.77   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  18.14 +/- 2.27   0.004% *  0.0192% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   49  26.47 +/- 0.79   0.000% *  0.0558% (0.37   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  32.92 +/- 1.38   0.000% *  0.1178% (0.79   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.723, support = 0.02, residual support = 3.45:
          HB2   PRO   52 - HB3   TRP   49   9.70 +/- 0.58  97.966% * 45.9163% (0.72   0.02   3.48) =  98.910%  kept
          HB2   ASP-  62 - HB3   TRP   49  21.92 +/- 1.26   0.873% * 45.9163% (0.72   0.02   0.02) =   0.881%  kept
          HG2   MET   96 - HB3   TRP   49  21.00 +/- 1.62   1.161% *  8.1674% (0.13   0.02   0.02) =   0.208%
    Distance limit 3.80 A violated in 20 structures by 5.89 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.473, support = 0.0199, residual support = 0.0199:
          HB3   PHE   45 - HB3   TRP   49  12.16 +/- 0.63  51.052% * 16.1708% (0.47   0.02   0.02) =  51.972%  kept
          QG    GLU-  79 - HB3   TRP   49  13.88 +/- 2.35  28.871% * 13.9029% (0.41   0.02   0.02) =  25.269%  kept
          QE    LYS+ 112 - HB3   TRP   49  15.92 +/- 2.58  15.854% * 16.1708% (0.47   0.02   0.02) =  16.140%  kept
          HB    VAL  107 - HB3   TRP   49  19.63 +/- 1.54   3.613% * 27.0190% (0.79   0.02   0.02) =   6.146%  kept
          QG    GLN   32 - HB3   TRP   49  29.05 +/- 1.54   0.271% * 22.8711% (0.67   0.02   0.02) =   0.390%
          HG2   GLU-  29 - HB3   TRP   49  28.10 +/- 2.12   0.338% *  3.8655% (0.11   0.02   0.02) =   0.082%
    Distance limit 3.86 A violated in 20 structures by 6.92 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.5, residual support = 6.75:
          QB    ALA   47 - QB    CYS   50   3.58 +/- 0.25  99.706% * 98.7819% (0.65   3.50   6.75) =  99.999%  kept
          QB    ALA   64 - QB    CYS   50  12.35 +/- 1.50   0.075% *  0.5646% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   42 - QB    CYS   50  12.43 +/- 1.31   0.068% *  0.4592% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QB    CYS   50  12.31 +/- 1.92   0.152% *  0.1943% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.992, support = 1.52, residual support = 7.84:
        T HB2   CYS   53 - QB    CYS   50   3.47 +/- 1.69  82.870% * 89.6613% (1.00 10.00   1.50   8.02) =  97.780%  kept
          HD3   PRO   52 - QB    CYS   50   5.28 +/- 1.35  16.762% * 10.0635% (0.73  1.00   2.31   0.02) =   2.220%  kept
          HD2   PRO   58 - QB    CYS   50   8.61 +/- 1.54   0.359% *  0.0583% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - QB    CYS   50  16.69 +/- 1.94   0.004% *  0.0493% (0.41  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    CYS   50  20.90 +/- 1.19   0.001% *  0.0959% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    CYS   50  17.85 +/- 1.56   0.003% *  0.0267% (0.22  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  25.72 +/- 1.94   0.000% *  0.0450% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 1.23, residual support = 7.21:
      O   HN    CYS   50 - QB    CYS   50   2.94 +/- 0.23  93.619% * 85.8540% (0.80  10.0   1.22   7.26) =  98.899%  kept
          HN    TRP   49 - QB    CYS   50   4.64 +/- 0.27   6.374% * 14.0420% (0.65   1.0   2.46   3.19) =   1.101%  kept
          HN    VAL   83 - QB    CYS   50  15.66 +/- 1.72   0.005% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    CYS   50  19.20 +/- 2.04   0.001% *  0.0439% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2630 (3.94, 4.27, 48.66 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.81, residual support = 10.1:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  99.987% * 97.0144% (0.87  10.0 10.00   2.81  10.09) = 100.000%  kept
        T QB    SER   48 - HA1   GLY   51   8.24 +/- 0.78   0.012% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA1   GLY   51  13.79 +/- 1.33   0.001% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA1   GLY   51  18.84 +/- 1.47   0.000% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA1   GLY   51  19.56 +/- 1.48   0.000% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  16.18 +/- 1.13   0.000% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  23.77 +/- 1.75   0.000% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  22.97 +/- 1.50   0.000% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  25.26 +/- 2.32   0.000% *  0.0724% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  26.04 +/- 1.18   0.000% *  0.1032% (0.92   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 2631 (3.34, 2.63, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.969, support = 1.92, residual support = 18.5:
          HD3   PRO   93 - HB2   PRO   52   4.63 +/- 2.35  54.608% * 11.1639% (0.98   0.65   0.52) =  40.514%  kept
          HB3   CYS   53 - HB2   PRO   52   5.52 +/- 0.67   6.580% * 77.1128% (0.99   4.43  53.95) =  33.720%  kept
          QB    PHE   55 - HB2   PRO   52   4.47 +/- 0.54  37.853% * 10.2350% (0.92   0.63   0.38) =  25.747%  kept
          HD2   ARG+  54 - HB2   PRO   52   9.14 +/- 0.88   0.738% *  0.3391% (0.97   0.02   1.76) =   0.017%
          HB2   PHE   59 - HB2   PRO   52  11.22 +/- 0.82   0.108% *  0.2413% (0.69   0.02   0.02) =   0.002%
          HD3   PRO   93 - HG2   MET   96  13.83 +/- 0.85   0.037% *  0.1012% (0.29   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   96  15.21 +/- 1.29   0.027% *  0.1023% (0.29   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   96  14.96 +/- 1.86   0.022% *  0.0709% (0.20   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   96  16.34 +/- 1.81   0.013% *  0.0953% (0.27   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   MET   96  18.23 +/- 1.49   0.009% *  0.0996% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   PRO   52  24.03 +/- 2.50   0.002% *  0.3391% (0.97   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   MET   96  22.21 +/- 1.47   0.003% *  0.0996% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.408, support = 0.984, residual support = 4.59:
        T HD3   PRO   93 - HB3   PRO   52   4.99 +/- 1.90  47.147% * 63.2979% (0.41 10.00   0.68   0.52) =  84.420%  kept
          QB    PHE   55 - HB3   PRO   52   4.59 +/- 0.54  41.776% *  6.7139% (0.53  1.00   0.57   0.38) =   7.934%  kept
          HB3   CYS   53 - HB3   PRO   52   5.89 +/- 0.77  10.176% * 26.4955% (0.25  1.00   4.73  53.95) =   7.627%  kept
        T HD2   ARG+  54 - HB3   PRO   52   9.13 +/- 0.85   0.663% *  0.8897% (0.20 10.00   0.02   1.76) =   0.017%
          HB2   PHE   59 - HB3   PRO   52  11.64 +/- 0.86   0.138% *  0.3600% (0.80  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   68 - HB3   PRO   52  24.53 +/- 2.31   0.002% *  2.0155% (0.45 10.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - QB    LYS+  81  14.15 +/- 1.34   0.048% *  0.0212% (0.05  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - QB    LYS+  81  20.78 +/- 1.22   0.005% *  0.1021% (0.02 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - QB    LYS+  81  14.98 +/- 1.33   0.032% *  0.0129% (0.03  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - QB    LYS+  81  18.28 +/- 1.40   0.009% *  0.0271% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - QB    LYS+  81  21.44 +/- 1.50   0.003% *  0.0413% (0.09  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QB    LYS+  81  27.15 +/- 1.11   0.001% *  0.0231% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.607, support = 0.4, residual support = 0.0522:
          HB3   LEU  115 - HB2   PRO   52  11.02 +/- 1.56   4.011% * 54.4673% (0.84   0.47   0.02) =  59.270%  kept
          HG2   LYS+ 102 - HG2   MET   96  10.72 +/- 1.30   3.885% * 21.1764% (0.29   0.52   0.17) =  22.315%  kept
          QB    ALA  110 - HB2   PRO   52   6.22 +/- 2.91  62.184% *  0.7673% (0.28   0.02   0.02) =  12.944%  kept
          HG    LEU  115 - HB2   PRO   52  11.33 +/- 2.60   9.881% *  0.7673% (0.28   0.02   0.02) =   2.057%  kept
          HG    LEU   40 - HG2   MET   96   9.91 +/- 0.93   5.378% *  0.6771% (0.25   0.02   0.02) =   0.988%  kept
          HG    LEU   73 - HG2   MET   96  10.42 +/- 1.58   4.234% *  0.7824% (0.28   0.02   0.02) =   0.899%  kept
          QB    ALA   61 - HB2   PRO   52  12.64 +/- 0.85   1.045% *  1.3433% (0.49   0.02   0.02) =   0.381%
          HB3   LEU  115 - HG2   MET   96  13.08 +/- 2.17   1.754% *  0.6771% (0.25   0.02   0.28) =   0.322%
          HG    LEU   80 - HG2   MET   96  12.20 +/- 1.71   2.061% *  0.2502% (0.09   0.02   0.02) =   0.140%
          QB    ALA  110 - HG2   MET   96  12.90 +/- 1.91   1.915% *  0.2254% (0.08   0.02   0.02) =   0.117%
          QB    ALA  120 - HB2   PRO   52  16.55 +/- 1.87   0.301% *  0.7673% (0.28   0.02   0.02) =   0.063%
          HG    LEU   67 - HG2   MET   96  17.02 +/- 2.40   0.371% *  0.5887% (0.21   0.02   0.02) =   0.059%
          QG    LYS+  66 - HB2   PRO   52  19.22 +/- 1.52   0.092% *  2.3051% (0.84   0.02   0.02) =   0.058%
          HG    LEU  115 - HG2   MET   96  14.13 +/- 2.50   0.897% *  0.2254% (0.08   0.02   0.28) =   0.055%
          HG    LEU   73 - HB2   PRO   52  20.29 +/- 1.89   0.071% *  2.6633% (0.97   0.02   0.02) =   0.052%
          HG    LEU   80 - HB2   PRO   52  18.58 +/- 2.46   0.197% *  0.8518% (0.31   0.02   0.02) =   0.046%
          HB3   LEU   67 - HG2   MET   96  16.42 +/- 2.32   0.316% *  0.5244% (0.19   0.02   0.02) =   0.045%
          QB    ALA   61 - HG2   MET   96  14.66 +/- 0.82   0.404% *  0.3946% (0.14   0.02   0.02) =   0.043%
          QG    LYS+  66 - HG2   MET   96  17.62 +/- 1.89   0.184% *  0.6771% (0.25   0.02   0.02) =   0.034%
          HG    LEU   40 - HB2   PRO   52  22.37 +/- 2.05   0.040% *  2.3051% (0.84   0.02   0.02) =   0.025%
          QB    ALA  120 - HG2   MET   96  15.02 +/- 1.78   0.405% *  0.2254% (0.08   0.02   0.02) =   0.025%
          HG    LEU   67 - HB2   PRO   52  22.83 +/- 2.14   0.038% *  2.0040% (0.73   0.02   0.02) =   0.021%
          HB3   LEU   67 - HB2   PRO   52  23.15 +/- 1.44   0.029% *  1.7853% (0.65   0.02   0.02) =   0.014%
          HG12  ILE   19 - HG2   MET   96  17.06 +/- 1.82   0.241% *  0.1805% (0.07   0.02   0.02) =   0.012%
          HG2   LYS+ 102 - HB2   PRO   52  27.10 +/- 2.37   0.012% *  2.7536% (1.00   0.02   0.02) =   0.009%
          HG12  ILE   19 - HB2   PRO   52  22.21 +/- 2.35   0.053% *  0.6144% (0.22   0.02   0.02) =   0.009%
    Distance limit 3.10 A violated in 14 structures by 2.15 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 = 0.63, support = 0.0199, residual support = 0.401:
          HB3   PRO   93 - HD2   PRO   52   6.96 +/- 1.26  83.659% *  5.3763% (0.65  1.00   0.02   0.52) =  75.973%  kept
        T QB    ALA   88 - HD2   PRO   52  14.60 +/- 1.79   3.524% * 14.5547% (0.18 10.00   0.02   0.02) =   8.663%  kept
          HG2   LYS+ 111 - HD2   PRO   52  14.31 +/- 2.34   4.363% *  6.9417% (0.84  1.00   0.02   0.02) =   5.115%  kept
          HB3   ASP-  44 - HD2   PRO   52  12.18 +/- 0.74   2.985% *  8.1462% (0.98  1.00   0.02   0.02) =   4.108%  kept
          QB    ALA   84 - HD2   PRO   52  12.10 +/- 1.33   3.924% *  5.7087% (0.69  1.00   0.02   0.02) =   3.784%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  19.23 +/- 1.73   0.355% * 12.8231% (0.15 10.00   0.02   0.02) =   0.770%  kept
          HB3   LEU   80 - HD2   PRO   52  16.72 +/- 1.30   0.479% *  8.1462% (0.98  1.00   0.02   0.02) =   0.659%  kept
          HB2   LEU   63 - HD2   PRO   52  16.86 +/- 0.96   0.457% *  8.3107% (1.00  1.00   0.02   0.02) =   0.641%  kept
          HG    LEU   98 - HD2   PRO   52  21.49 +/- 1.61   0.136% *  6.6547% (0.80  1.00   0.02   0.02) =   0.153%
          QB    ALA  124 - HD2   PRO   52  24.34 +/- 1.39   0.053% *  7.4533% (0.90  1.00   0.02   0.02) =   0.067%
          HB2   LEU   31 - HD2   PRO   52  25.99 +/- 1.20   0.035% *  7.4533% (0.90  1.00   0.02   0.02) =   0.044%
          HG2   LYS+  99 - HD2   PRO   52  28.37 +/- 1.36   0.021% *  4.7052% (0.57  1.00   0.02   0.02) =   0.017%
          HG2   LYS+  38 - HD2   PRO   52  33.01 +/- 1.06   0.008% *  3.7260% (0.45  1.00   0.02   0.02) =   0.005%
    Distance limit 3.55 A violated in 20 structures by 3.07 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.43, residual support = 223.5:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  99.981% * 97.1447% (0.80  10.0 10.00   7.43 223.51) = 100.000%  kept
        T HA    SER   48 - HD3   PRO   52   8.52 +/- 1.33   0.019% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HD3   PRO   52  21.68 +/- 1.53   0.000% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   PRO   52  17.87 +/- 1.95   0.000% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  19.80 +/- 1.12   0.000% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  17.93 +/- 2.28   0.000% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HD3   PRO   52  25.80 +/- 1.32   0.000% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  18.04 +/- 1.64   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  23.16 +/- 0.99   0.000% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  29.13 +/- 1.48   0.000% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  31.37 +/- 1.24   0.000% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  25.51 +/- 1.79   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  31.89 +/- 1.42   0.000% *  0.0544% (0.45   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 2636 (3.85, 3.98, 51.93 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 7.43, residual support = 223.5:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  99.551% * 98.5557% (0.87  10.0 10.00   7.43 223.51) = 100.000%  kept
          HB2   CYS   53 - HD2   PRO   52   4.51 +/- 0.52   0.448% *  0.0426% (0.38   1.0  1.00   0.02  53.95) =   0.000%
        T HB3   SER   82 - HD2   PRO   52  20.72 +/- 1.46   0.000% *  1.0488% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HD2   PRO   52  13.07 +/- 1.58   0.001% *  0.0509% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  16.96 +/- 1.05   0.000% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  25.39 +/- 1.50   0.000% *  0.0910% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  26.86 +/- 2.36   0.000% *  0.0735% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  27.16 +/- 1.29   0.000% *  0.0689% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  30.33 +/- 1.38   0.000% *  0.0509% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2637 (4.28, 3.84, 51.93 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 14.1:
      O   HA1   GLY   51 - HD3   PRO   52   2.42 +/- 0.29  99.964% * 97.0168% (0.76  10.0  1.00   3.95  14.11) = 100.000%  kept
          HB    THR   77 - HD3   PRO   52  11.86 +/- 1.82   0.013% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HD3   PRO   52  10.67 +/- 0.48   0.017% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD3   PRO   52  14.23 +/- 0.71   0.003% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD3   PRO   52  23.74 +/- 1.58   0.000% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD3   PRO   52  17.20 +/- 2.00   0.002% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HD3   PRO   52  18.74 +/- 1.83   0.001% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD3   PRO   52  29.98 +/- 1.26   0.000% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  21.95 +/- 1.86   0.000% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  35.56 +/- 4.20   0.000% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  32.86 +/- 3.46   0.000% *  0.0251% (0.20   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 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.21, residual support = 14.1:
      O   HA1   GLY   51 - HD2   PRO   52   3.12 +/- 0.21  99.869% * 92.3448% (0.34  10.0  1.00   5.21  14.11) = 100.000%  kept
          HB    THR   77 - HD2   PRO   52  10.82 +/- 1.60   0.092% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HD2   PRO   52  17.98 +/- 1.65   0.004% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD2   PRO   52  12.68 +/- 0.68   0.025% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD2   PRO   52  22.49 +/- 1.50   0.001% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD2   PRO   52  16.06 +/- 1.85   0.007% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD2   PRO   52  28.43 +/- 1.16   0.000% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD2   PRO   52  20.98 +/- 1.72   0.001% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  26.84 +/- 2.43   0.000% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD2   PRO   52  33.94 +/- 4.18   0.000% *  0.2701% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  24.49 +/- 1.39   0.001% *  0.0418% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  31.25 +/- 3.46   0.000% *  0.1533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 223.5:
      O   HG2   PRO   52 - HD3   PRO   52   2.79 +/- 0.24  98.500% * 99.6603% (0.90  10.0   6.60 223.51) =  99.999%  kept
          HG2   MET   92 - HD3   PRO   52   7.49 +/- 2.06   1.483% *  0.0417% (0.38   1.0   0.02   0.02) =   0.001%
          QG    GLU- 114 - HD3   PRO   52  13.99 +/- 1.72   0.009% *  0.0498% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD3   PRO   52  15.18 +/- 0.81   0.005% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD3   PRO   52  16.72 +/- 2.04   0.003% *  0.0585% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  26.80 +/- 2.31   0.000% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  35.13 +/- 1.65   0.000% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 223.5:
      O   HG3   PRO   52 - HD3   PRO   52   2.42 +/- 0.24  99.835% * 99.3977% (0.97  10.0  1.00   6.60 223.51) = 100.000%  kept
        T HB2   PRO   93 - HD3   PRO   52   8.26 +/- 1.76   0.160% *  0.2038% (0.20   1.0 10.00   0.02   0.52) =   0.000%
          HG2   PRO   58 - HD3   PRO   52  13.47 +/- 0.76   0.004% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  27.72 +/- 2.61   0.000% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  21.24 +/- 1.85   0.000% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD3   PRO   52  28.39 +/- 2.42   0.000% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  35.85 +/- 4.18   0.000% *  0.0924% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  27.77 +/- 1.23   0.000% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 6.76, residual support = 223.5:
      O   HB3   PRO   52 - HD3   PRO   52   3.74 +/- 0.28  97.661% * 98.5682% (0.57  10.0   6.76 223.51) =  99.997%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.54 +/- 0.49   1.829% *  0.1647% (0.95   1.0   0.02   1.76) =   0.003%
          HB    ILE   56 - HD3   PRO   52  10.16 +/- 1.46   0.367% *  0.0434% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   PRO   52  13.53 +/- 2.52   0.091% *  0.1331% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   PRO   52  15.98 +/- 1.69   0.023% *  0.1126% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   PRO   52  16.23 +/- 1.78   0.017% *  0.1196% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   PRO   52  21.85 +/- 1.51   0.003% *  0.1607% (0.92   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   PRO   52  23.97 +/- 1.75   0.002% *  0.1680% (0.97   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   52  24.34 +/- 2.43   0.002% *  0.0986% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD3   PRO   52  27.57 +/- 2.98   0.001% *  0.1707% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   PRO   52  26.67 +/- 1.33   0.001% *  0.1454% (0.84   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   52  22.90 +/- 1.59   0.002% *  0.0537% (0.31   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  23.97 +/- 1.14   0.001% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  33.75 +/- 1.21   0.000% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 6.1, residual support = 54.0:
          HN    CYS   53 - HD3   PRO   52   3.67 +/- 0.01  99.983% * 99.3016% (0.61   6.10  53.95) = 100.000%  kept
          HN    LEU   80 - HD3   PRO   52  16.48 +/- 1.68   0.015% *  0.2016% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD3   PRO   52  23.69 +/- 1.99   0.002% *  0.3474% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD3   PRO   52  28.92 +/- 1.23   0.000% *  0.1493% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 3.66, residual support = 14.1:
          HN    GLY   51 - HD3   PRO   52   2.67 +/- 0.54  99.995% * 99.4885% (0.92   3.66  14.11) = 100.000%  kept
          HN    VAL  107 - HD3   PRO   52  16.03 +/- 1.54   0.005% *  0.5115% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.01 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   4.16 +/- 0.17  88.394% * 83.3357% (0.61   1.79   1.76) =  97.989%  kept
          HN    PHE   55 - HD2   PRO   52   5.86 +/- 0.19  11.550% * 13.0821% (0.73   0.23   0.38) =   2.010%  kept
          HN    ASP-  62 - HD2   PRO   52  15.60 +/- 0.55   0.033% *  1.4159% (0.92   0.02   0.02) =   0.001%
          HN    ALA   88 - HD2   PRO   52  17.67 +/- 1.83   0.020% *  0.3825% (0.25   0.02   0.02) =   0.000%
          HN    LEU   31 - HD2   PRO   52  24.82 +/- 1.15   0.002% *  1.4803% (0.97   0.02   0.02) =   0.000%
          HN    LYS+  38 - HD2   PRO   52  31.20 +/- 1.10   0.001% *  0.3035% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.48 A, kept.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 8.2, residual support = 54.0:
          HN    CYS   53 - HD2   PRO   52   2.26 +/- 0.01  99.998% * 99.4796% (0.61   8.20  53.95) = 100.000%  kept
          HN    LEU   80 - HD2   PRO   52  15.16 +/- 1.56   0.001% *  0.1502% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD2   PRO   52  22.13 +/- 1.96   0.000% *  0.2589% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  27.28 +/- 1.19   0.000% *  0.1113% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2647 (2.79, 3.34, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.921, support = 1.49, residual support = 8.0:
          QB    CYS   50 - HB3   CYS   53   4.08 +/- 1.24  84.822% * 96.8416% (0.92   1.50   8.02) =  99.758%  kept
          QE    LYS+  74 - HB3   CYS   53   7.40 +/- 1.53  14.882% *  1.3259% (0.95   0.02   0.02) =   0.240%
          HB3   ASP-  78 - HB3   CYS   53  11.71 +/- 2.01   0.265% *  0.7935% (0.57   0.02   0.02) =   0.003%
          HB2   PHE   72 - HB3   CYS   53  15.65 +/- 1.24   0.030% *  0.2455% (0.18   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB3   CYS   53  24.90 +/- 1.42   0.001% *  0.7935% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 3 structures by 0.44 A, kept.
 
    Peak 2648 (2.80, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.01:
        T QB    CYS   50 - HB2   CYS   53   3.47 +/- 1.69  88.348% * 99.6254% (0.92 10.00   1.50   8.02) =  99.983%  kept
          QE    LYS+  74 - HB2   CYS   53   7.27 +/- 1.55  11.546% *  0.1291% (0.90  1.00   0.02   0.02) =   0.017%
          HB3   ASP-  78 - HB2   CYS   53  12.16 +/- 1.82   0.087% *  0.0252% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HB2   CYS   53  15.41 +/- 1.45   0.019% *  0.0815% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   CYS   53  24.70 +/- 1.59   0.001% *  0.1389% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 2 structures by 0.50 A, kept.
 
    Peak 2650 (1.26, 4.17, 63.73 ppm):
    10 chemical-shift based assignments, quality = 0.945, support = 0.02, residual support = 0.02:
        T QG2   ILE   56 - HA    CYS   53   3.42 +/- 1.51  93.398% * 41.1882% (0.95 10.00   0.02   0.02) =  99.351%  kept
          QB    ALA   91 - HA    CYS   53   8.85 +/- 1.36   6.037% *  3.9049% (0.90  1.00   0.02   0.02) =   0.609%  kept
          HG2   LYS+  74 - HA    CYS   53  11.00 +/- 1.35   0.427% *  1.4852% (0.34  1.00   0.02   0.02) =   0.016%
        T HG13  ILE   19 - HA    CYS   53  17.76 +/- 1.68   0.020% * 24.6510% (0.57 10.00   0.02   0.02) =   0.013%
        T HG    LEU   71 - HA    CYS   53  20.68 +/- 1.05   0.012% * 13.4389% (0.31 10.00   0.02   0.02) =   0.004%
          QG2   THR   23 - HA    CYS   53  16.66 +/- 2.04   0.064% *  1.9521% (0.45  1.00   0.02   0.02) =   0.003%
          QG2   THR   39 - HA    CYS   53  19.14 +/- 0.99   0.019% *  3.9049% (0.90  1.00   0.02   0.02) =   0.002%
          QB    ALA   34 - HA    CYS   53  19.10 +/- 0.82   0.018% *  3.4865% (0.80  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HA    CYS   53  24.52 +/- 0.86   0.004% *  1.6341% (0.38  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    CYS   53  29.67 +/- 1.24   0.001% *  4.3541% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 7 structures by 0.66 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 = 44.0:
      O   HN    CYS   53 - HA    CYS   53   2.76 +/- 0.04  99.995% * 99.7861% (0.61  10.0   4.78  44.02) = 100.000%  kept
          HN    LEU   80 - HA    CYS   53  15.27 +/- 1.25   0.004% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    CYS   53  20.84 +/- 1.72   0.001% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  24.10 +/- 1.17   0.000% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 44.0:
      O   HN    CYS   53 - HB2   CYS   53   2.83 +/- 0.40  99.987% * 99.7861% (0.61  10.0   4.92  44.02) = 100.000%  kept
          HN    LEU   80 - HB2   CYS   53  13.97 +/- 1.10   0.011% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HB2   CYS   53  19.61 +/- 1.73   0.002% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  23.98 +/- 1.38   0.001% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 5.51, residual support = 31.9:
          HN    ARG+  54 - HB2   CYS   53   3.24 +/- 0.27  93.951% * 98.9882% (0.97   5.51  31.92) =  99.992%  kept
          HN    PHE   55 - HB2   CYS   53   5.15 +/- 0.21   5.982% *  0.1149% (0.31   0.02   0.02) =   0.007%
          HN    ASP-  62 - HB2   CYS   53  11.63 +/- 0.97   0.065% *  0.3522% (0.95   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   CYS   53  21.91 +/- 1.29   0.001% *  0.3339% (0.90   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   CYS   53  27.84 +/- 1.26   0.000% *  0.2108% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 31.9:
          HN    ARG+  54 - HB3   CYS   53   3.91 +/- 0.29  99.876% * 99.1730% (0.87   5.36  31.92) = 100.000%  kept
          HN    ASP-  62 - HB3   CYS   53  12.24 +/- 0.60   0.118% *  0.2243% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   CYS   53  21.60 +/- 1.27   0.005% *  0.1912% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   CYS   53  27.66 +/- 1.16   0.001% *  0.4115% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.7, residual support = 166.7:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.85 +/- 0.22  93.940% * 99.8484% (0.87  10.0 10.00   4.70 166.74) =  99.999%  kept
          QB    ALA   57 - HD2   ARG+  54   5.33 +/- 0.99   6.056% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD2   ARG+  54  17.69 +/- 2.17   0.003% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   ARG+  54  22.94 +/- 2.40   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  26.20 +/- 1.69   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.58, residual support = 166.7:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  99.880% * 99.6886% (0.87  10.0 10.00   3.58 166.74) = 100.000%  kept
          QB    PHE   55 - HD3   ARG+  54   6.54 +/- 1.19   0.107% *  0.0559% (0.49   1.0  1.00   0.02   3.47) =   0.000%
          HB3   CYS   53 - HD3   ARG+  54   8.46 +/- 0.72   0.010% *  0.0920% (0.80   1.0  1.00   0.02  31.92) =   0.000%
          HD3   PRO   93 - HD3   ARG+  54  11.69 +/- 1.33   0.002% *  0.0697% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  11.92 +/- 1.11   0.001% *  0.0287% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HD3   ARG+  54  23.33 +/- 2.17   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 = 166.7:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00 100.000% * 99.9131% (1.00  10.0 10.00   3.58 166.74) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  24.16 +/- 2.07   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 = 166.7:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.60 +/- 0.29  94.519% * 99.8484% (0.87  10.0 10.00   3.74 166.74) =  99.999%  kept
          QB    ALA   57 - HD3   ARG+  54   5.33 +/- 1.12   5.479% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD3   ARG+  54  18.11 +/- 2.13   0.001% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   ARG+  54  22.84 +/- 2.19   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  26.12 +/- 1.65   0.000% *  0.0516% (0.45   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 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.487, support = 3.89, residual support = 166.7:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.66 +/- 0.31  99.790% * 97.6350% (0.49  10.0 10.00   3.89 166.74) = 100.000%  kept
          HB3   PRO   58 - HD3   ARG+  54   9.34 +/- 1.63   0.127% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   ARG+  54   9.81 +/- 0.58   0.051% *  0.1988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   ARG+  54  14.57 +/- 2.36   0.029% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   ARG+  54  24.72 +/- 2.61   0.000% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   ARG+  54  19.04 +/- 1.12   0.001% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   ARG+  54  20.28 +/- 2.83   0.001% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   ARG+  54  20.90 +/- 1.42   0.001% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  25.32 +/- 1.75   0.000% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  23.45 +/- 1.00   0.000% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  26.51 +/- 1.79   0.000% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  27.44 +/- 1.30   0.000% *  0.0899% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  33.91 +/- 1.57   0.000% *  0.1852% (0.92   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 2660 (2.04, 3.25, 43.59 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 4.03, residual support = 166.7:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.15 +/- 0.51  99.902% * 99.0727% (0.73  10.0   4.03 166.74) = 100.000%  kept
          HB2   PRO   93 - HD3   ARG+  54  11.53 +/- 1.34   0.068% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   ARG+  54  17.28 +/- 1.54   0.005% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  17.35 +/- 3.22   0.010% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   ARG+  54  19.33 +/- 1.90   0.003% *  0.1092% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HD3   ARG+  54  16.64 +/- 1.84   0.007% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HD3   ARG+  54  24.71 +/- 1.78   0.001% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   ARG+  54  25.31 +/- 1.82   0.001% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  21.77 +/- 2.87   0.002% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   ARG+  54  25.00 +/- 2.25   0.001% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  33.87 +/- 1.92   0.000% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  27.08 +/- 1.50   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 166.7:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  99.949% * 97.1361% (0.92  10.0 10.00   4.97 166.74) = 100.000%  kept
          HB    ILE   56 - HG3   ARG+  54   8.94 +/- 1.34   0.010% *  0.0681% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   ARG+  54   7.92 +/- 1.17   0.023% *  0.0208% (0.20   1.0  1.00   0.02   1.76) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  12.75 +/- 2.26   0.017% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  18.48 +/- 2.87   0.000% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HG3   ARG+  54  24.58 +/- 2.59   0.000% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   ARG+  54  25.79 +/- 1.65   0.000% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  17.72 +/- 1.25   0.000% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  21.56 +/- 2.43   0.000% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  19.44 +/- 1.42   0.000% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  22.38 +/- 0.93   0.000% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  25.99 +/- 1.45   0.000% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  24.29 +/- 1.57   0.000% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  33.09 +/- 1.25   0.000% *  0.0512% (0.49   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 2662 (2.03, 1.60, 27.63 ppm):
    13 chemical-shift based assignments, quality = 0.309, support = 5.11, residual support = 166.7:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.77 +/- 0.19  99.980% * 97.7423% (0.31  10.0   5.11 166.74) = 100.000%  kept
          HB2   GLN   17 - HG3   ARG+  54  17.30 +/- 2.78   0.005% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   ARG+  54  15.72 +/- 1.82   0.004% *  0.2420% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   ARG+  54  16.91 +/- 1.53   0.003% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   ARG+  54  15.39 +/- 1.46   0.004% *  0.0627% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   ARG+  54  17.76 +/- 2.26   0.002% *  0.1189% (0.38   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  21.71 +/- 2.47   0.001% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   ARG+  54  23.74 +/- 1.72   0.000% *  0.2840% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   ARG+  54  24.87 +/- 2.08   0.000% *  0.3104% (0.98   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  19.87 +/- 2.48   0.001% *  0.0489% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  24.31 +/- 1.66   0.000% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  25.91 +/- 1.53   0.000% *  0.1541% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  32.79 +/- 1.57   0.000% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2663 (4.11, 1.60, 27.63 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 166.7:
      O   HA    ARG+  54 - HG3   ARG+  54   3.32 +/- 0.53  99.971% * 99.5710% (1.00  10.0   5.75 166.74) = 100.000%  kept
          HA    LEU  115 - HG3   ARG+  54  15.45 +/- 1.44   0.018% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   ARG+  54  19.92 +/- 1.58   0.003% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  18.19 +/- 1.49   0.007% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   ARG+  54  27.25 +/- 1.88   0.000% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  26.70 +/- 1.22   0.000% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  28.72 +/- 1.47   0.000% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  30.17 +/- 2.27   0.000% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  35.02 +/- 1.57   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 166.7:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.60 +/- 0.29 100.000% * 99.9462% (0.76  10.0 10.00   3.74 166.74) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  23.20 +/- 1.79   0.000% *  0.0538% (0.41   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 2666 (3.35, 1.60, 27.63 ppm):
    6 chemical-shift based assignments, quality = 0.863, support = 4.69, residual support = 164.7:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.85 +/- 0.22  88.709% * 90.2753% (0.87  10.0 10.00   4.70 166.74) =  98.765%  kept
          QB    PHE   55 - HG3   ARG+  54   5.70 +/- 1.49  10.543% *  9.4933% (0.49   1.0  1.00   3.75   3.47) =   1.234%  kept
          HB3   CYS   53 - HG3   ARG+  54   6.70 +/- 0.60   0.656% *  0.0833% (0.80   1.0  1.00   0.02  31.92) =   0.001%
          HD3   PRO   93 - HG3   ARG+  54   9.98 +/- 1.37   0.067% *  0.0631% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   ARG+  54  11.41 +/- 0.95   0.025% *  0.0260% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   ARG+  54  23.20 +/- 2.19   0.000% *  0.0589% (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 2667 (7.87, 1.60, 27.63 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.49, residual support = 166.7:
          HN    ARG+  54 - HG3   ARG+  54   3.50 +/- 0.44  99.919% * 99.3159% (0.87   6.49 166.74) = 100.000%  kept
          HN    ASP-  62 - HG3   ARG+  54  13.03 +/- 1.43   0.080% *  0.1856% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   ARG+  54  26.68 +/- 1.45   0.001% *  0.1581% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   ARG+  54  32.13 +/- 1.41   0.000% *  0.3404% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 166.7:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  98.135% * 98.1061% (0.87  10.0 10.00   4.97 166.74) =  99.999%  kept
          QB    ALA   57 - HG2   ARG+  54   4.15 +/- 0.89   1.747% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG3   PRO   68  11.17 +/- 4.91   0.116% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   PRO   68  14.58 +/- 2.30   0.001% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   ARG+  54  17.17 +/- 2.12   0.000% *  0.2518% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG2   ARG+  54  22.04 +/- 2.13   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  24.70 +/- 1.57   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG3   PRO   68  24.58 +/- 2.59   0.000% *  0.2618% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  25.25 +/- 4.34   0.000% *  0.0672% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  16.00 +/- 1.88   0.000% *  0.0060% (0.05   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 2669 (2.02, 1.86, 27.63 ppm):
    24 chemical-shift based assignments, quality = 0.142, support = 2.88, residual support = 36.5:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  86.759% * 33.8555% (0.12  10.0  1.00   2.31  36.54) =  77.882%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.46 +/- 0.27  13.225% * 63.0750% (0.22  10.0  1.00   4.90  36.54) =  22.118%  kept
          QB    GLU-  15 - HG3   PRO   68   9.84 +/- 2.20   0.011% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   ARG+  54  16.35 +/- 2.66   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   ARG+  54  15.58 +/- 1.80   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   PRO   68  13.43 +/- 1.79   0.001% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   ARG+  54  15.09 +/- 1.56   0.000% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  13.14 +/- 3.45   0.002% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  17.85 +/- 3.60   0.000% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  19.02 +/- 2.51   0.000% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  20.83 +/- 2.41   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  15.14 +/- 1.73   0.000% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  16.20 +/- 1.58   0.000% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   30 - HG2   ARG+  54  23.54 +/- 1.64   0.000% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  17.35 +/- 1.94   0.000% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   ARG+  54  23.96 +/- 1.86   0.000% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  22.65 +/- 4.05   0.000% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  25.39 +/- 1.53   0.000% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   ARG+  54  23.60 +/- 2.68   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  22.99 +/- 1.61   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  16.79 +/- 1.72   0.000% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  18.39 +/- 1.80   0.000% *  0.0188% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  26.48 +/- 1.73   0.000% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  32.10 +/- 1.68   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 = 0.699, support = 4.73, residual support = 135.4:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.83 +/- 0.12  34.941% * 78.1265% (0.87  10.0 10.00   4.67 166.74) =  76.120%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.57 +/- 0.30  60.703% * 13.6069% (0.15  10.0  1.00   4.94  36.54) =  23.032%  kept
          QB    PHE   55 - HG2   ARG+  54   5.66 +/- 1.42   3.892% *  7.8064% (0.49   1.0  1.00   3.56   3.47) =   0.847%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.39 +/- 0.87   0.408% *  0.0721% (0.80   1.0  1.00   0.02  31.92) =   0.001%
          HD3   PRO   93 - HG2   ARG+  54   9.91 +/- 1.20   0.033% *  0.0546% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  10.66 +/- 1.17   0.015% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  15.25 +/- 2.91   0.005% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  24.84 +/- 2.67   0.000% *  0.2085% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.27 +/- 1.99   0.000% *  0.0510% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  20.41 +/- 2.78   0.001% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  22.59 +/- 2.92   0.000% *  0.0192% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  24.46 +/- 3.22   0.000% *  0.0146% (0.16   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 2671 (3.27, 1.86, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.89, residual support = 166.7:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.66 +/- 0.31 100.000% * 99.7339% (0.31  10.0 10.00   3.89 166.74) = 100.000%  kept
        T HD3   ARG+  54 - HG3   PRO   68  24.72 +/- 2.61   0.000% *  0.2661% (0.08   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2672 (4.11, 1.86, 27.63 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 166.7:
      O T HA    ARG+  54 - HG2   ARG+  54   2.58 +/- 0.62  99.420% * 97.8074% (1.00  10.0 10.00   5.69 166.74) = 100.000%  kept
          HA    ALA  124 - HG3   PRO   68  11.50 +/- 4.88   0.538% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   ARG+  54  14.88 +/- 1.36   0.010% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG3   PRO   68  16.24 +/- 3.72   0.011% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   ARG+  54  19.80 +/- 1.68   0.001% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG3   PRO   68  21.92 +/- 2.46   0.001% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  14.24 +/- 1.50   0.009% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  17.81 +/- 1.59   0.004% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   ARG+  54  26.44 +/- 1.91   0.000% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  19.19 +/- 1.35   0.001% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG3   PRO   68  29.20 +/- 1.80   0.000% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  19.13 +/- 4.07   0.003% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  21.76 +/- 1.72   0.001% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  26.07 +/- 1.36   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  20.02 +/- 1.98   0.001% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  27.89 +/- 1.45   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  29.55 +/- 2.46   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  34.19 +/- 1.55   0.000% *  0.0515% (0.53   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 2673 (7.87, 1.86, 27.63 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 6.38, residual support = 166.7:
          HN    ARG+  54 - HG2   ARG+  54   3.45 +/- 0.32  99.793% * 99.0373% (0.87   6.38 166.74) = 100.000%  kept
          HN    ASP-  62 - HG2   ARG+  54  12.12 +/- 0.99   0.069% *  0.1884% (0.53   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG3   PRO   68  12.28 +/- 1.89   0.116% *  0.0503% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   PRO   68  15.73 +/- 1.37   0.015% *  0.0922% (0.26   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   PRO   68  19.11 +/- 1.63   0.005% *  0.0428% (0.12   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   PRO   68  23.55 +/- 2.66   0.002% *  0.0829% (0.23   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   ARG+  54  25.96 +/- 1.46   0.001% *  0.1605% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   ARG+  54  31.30 +/- 1.39   0.000% *  0.3456% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.962, support = 0.0199, residual support = 0.0199:
          QB    ALA   57 - HB3   ARG+  54   4.74 +/- 0.78  99.511% * 19.4000% (0.97   0.02   0.02) =  99.643%  kept
          HD2   LYS+  74 - HB3   ARG+  54  13.38 +/- 1.47   0.240% * 14.5972% (0.73   0.02   0.02) =   0.181%
          HD3   LYS+ 111 - HB3   ARG+  54  16.20 +/- 1.67   0.136% * 19.7041% (0.98   0.02   0.02) =   0.138%
          HB3   LEU  123 - HB3   ARG+  54  22.43 +/- 1.95   0.015% * 19.4000% (0.97   0.02   0.02) =   0.015%
          QD    LYS+  65 - HB3   ARG+  54  16.19 +/- 2.11   0.073% *  3.5205% (0.18   0.02   0.02) =   0.013%
          QD    LYS+  33 - HB3   ARG+  54  25.50 +/- 1.51   0.006% * 19.4000% (0.97   0.02   0.02) =   0.006%
          HB2   LYS+ 121 - HB3   ARG+  54  21.29 +/- 0.95   0.019% *  3.9782% (0.20   0.02   0.02) =   0.004%
    Distance limit 3.02 A violated in 19 structures by 1.72 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 166.7:
      O   HN    ARG+  54 - HB3   ARG+  54   2.54 +/- 0.61  99.982% * 99.7769% (0.87  10.0   5.26 166.74) = 100.000%  kept
          HN    ASP-  62 - HB3   ARG+  54  12.87 +/- 1.05   0.018% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  26.62 +/- 1.03   0.000% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ARG+  54  31.97 +/- 0.98   0.000% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.39, residual support = 166.7:
      O   HN    ARG+  54 - HB2   ARG+  54   2.93 +/- 0.61  99.937% * 99.6984% (0.87  10.0   6.39 166.74) = 100.000%  kept
          HN    ASP-  62 - HB2   ARG+  54  12.62 +/- 1.01   0.030% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   GLU-  14  18.48 +/- 3.12   0.005% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  16.11 +/- 1.74   0.010% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  20.94 +/- 4.18   0.007% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  16.85 +/- 2.18   0.006% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  26.78 +/- 1.35   0.000% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  21.56 +/- 3.54   0.002% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  23.98 +/- 2.47   0.001% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  31.99 +/- 1.06   0.000% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  23.78 +/- 3.05   0.001% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  32.16 +/- 4.13   0.000% *  0.0096% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2677 (7.27, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.246, support = 1.5, residual support = 29.3:
          QE    PHE   59 - HA    LEU  115   3.50 +/- 0.83  92.841% * 83.3682% (0.25   1.50  29.37) =  99.825%  kept
          QD    PHE   60 - HA    ARG+  54   7.86 +/- 1.38   2.307% *  2.5542% (0.57   0.02   0.02) =   0.076%
          HN    PHE   59 - HA    ARG+  54   7.40 +/- 0.78   2.870% *  1.8547% (0.41   0.02   0.02) =   0.069%
          QE    PHE   59 - HA    ARG+  54  10.61 +/- 1.43   0.295% *  3.6125% (0.80   0.02   0.02) =   0.014%
          QD    PHE   60 - HA    LEU  115   8.86 +/- 0.84   0.880% *  0.7859% (0.17   0.02   0.02) =   0.009%
          HN    PHE   59 - HA    LEU  115   8.17 +/- 1.52   0.737% *  0.5707% (0.13   0.02  29.37) =   0.005%
          HN    LYS+  66 - HA    ARG+  54  16.20 +/- 0.97   0.017% *  4.4221% (0.98   0.02   0.02) =   0.001%
          HN    LYS+  66 - HA    LEU  115  13.21 +/- 1.40   0.046% *  1.3607% (0.30   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    ARG+  54  20.15 +/- 1.35   0.005% *  1.1249% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LEU  115  23.47 +/- 1.39   0.002% *  0.3461% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 1 structures by 0.24 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.922, support = 6.2, residual support = 156.1:
      O   HN    ARG+  54 - HA    ARG+  54   2.75 +/- 0.04  81.992% * 75.5578% (0.97  10.0   6.40 166.74) =  93.469%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.55 +/- 0.04  17.913% * 24.1648% (0.31  10.0   3.26   3.47) =   6.531%  kept
          HN    ASP-  62 - HA    ARG+  54  10.37 +/- 0.92   0.032% *  0.0741% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LEU  115  10.50 +/- 1.36   0.038% *  0.0228% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU  115  13.33 +/- 0.93   0.007% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  11.72 +/- 1.08   0.017% *  0.0074% (0.09   1.0   0.02   1.52) =   0.000%
          HN    LEU   31 - HA    ARG+  54  24.48 +/- 1.19   0.000% *  0.0702% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  21.99 +/- 1.51   0.000% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  23.71 +/- 1.92   0.000% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  29.56 +/- 1.11   0.000% *  0.0443% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 4.28, residual support = 20.4:
          HN    ILE   56 - QB    PHE   55   2.89 +/- 0.38  99.121% * 97.4384% (0.57   4.28  20.43) =  99.998%  kept
          HN    LYS+ 111 - QB    PHE   55   7.89 +/- 1.53   0.499% *  0.1792% (0.22   0.02   0.02) =   0.001%
          QE    PHE   60 - QB    PHE   55  10.08 +/- 2.18   0.349% *  0.2007% (0.25   0.02   0.02) =   0.001%
          HN    LEU   63 - QB    PHE   55  11.87 +/- 0.52   0.027% *  0.5530% (0.69   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QB    PHE   55  19.74 +/- 1.27   0.001% *  0.6724% (0.84   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    PHE   55  22.83 +/- 1.14   0.001% *  0.7769% (0.97   0.02   0.02) =   0.000%
          HN    ALA   84 - QB    PHE   55  18.56 +/- 1.40   0.002% *  0.1792% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2680 (7.85, 3.33, 38.95 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.9, residual support = 20.5:
      O   HN    PHE   55 - QB    PHE   55   2.08 +/- 0.14  98.695% * 99.5965% (0.73  10.0   2.90  20.51) =  99.999%  kept
          HN    ARG+  54 - QB    PHE   55   4.30 +/- 0.23   1.298% *  0.0832% (0.61   1.0   0.02   3.47) =   0.001%
          HN    ASP-  62 - QB    PHE   55  10.83 +/- 0.54   0.006% *  0.1266% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  18.96 +/- 1.59   0.000% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    PHE   55  23.66 +/- 1.21   0.000% *  0.1324% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  27.58 +/- 1.38   0.000% *  0.0271% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 0.887, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    PHE   55   8.98 +/- 1.19  93.977% * 36.5548% (0.90   0.02   0.02) =  96.849%  kept
          HN    LYS+  66 - QB    PHE   55  15.77 +/- 0.66   3.699% * 16.7569% (0.41   0.02   0.02) =   1.748%  kept
          HN    LYS+  81 - QB    PHE   55  19.81 +/- 1.33   1.031% * 40.3993% (0.99   0.02   0.02) =   1.174%  kept
          HE3   TRP   27 - QB    PHE   55  19.07 +/- 1.45   1.293% *  6.2891% (0.15   0.02   0.02) =   0.229%
    Distance limit 3.18 A violated in 20 structures by 5.72 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 = 124.4:
      O   HN    ILE   56 - HB    ILE   56   3.10 +/- 0.66  94.942% * 98.8687% (0.25  10.0   6.04 124.38) =  99.988%  kept
          QE    PHE   60 - HB    ILE   56   8.94 +/- 2.29   4.639% *  0.2245% (0.57   1.0   0.02   2.16) =   0.011%
          HN    LEU   63 - HB    ILE   56   9.70 +/- 1.24   0.415% *  0.1353% (0.34   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HB    ILE   56  19.70 +/- 1.74   0.002% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB    ILE   56  23.21 +/- 1.76   0.001% *  0.3751% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 1 structures by 0.27 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.492, support = 2.36, residual support = 16.6:
          QD    PHE   55 - HB    ILE   56   4.04 +/- 1.16  70.089% * 61.5703% (0.41   2.74  20.43) =  80.874%  kept
          QE    PHE   95 - HB    ILE   56   6.51 +/- 2.49  29.768% * 34.2786% (0.84   0.75   0.54) =  19.123%  kept
          HD1   TRP   49 - HB    ILE   56  13.42 +/- 1.72   0.079% *  0.8364% (0.76   0.02   0.02) =   0.001%
          HN    LEU   67 - HB    ILE   56  15.36 +/- 1.41   0.042% *  1.0847% (0.99   0.02   0.02) =   0.001%
          HN    THR   23 - HB    ILE   56  20.18 +/- 1.84   0.007% *  0.9493% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB    ILE   56  18.85 +/- 1.83   0.010% *  0.3733% (0.34   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB    ILE   56  22.92 +/- 2.25   0.004% *  0.6638% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB    ILE   56  28.50 +/- 1.97   0.001% *  0.2436% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.66, residual support = 124.4:
      O T QD1   ILE   56 - HB    ILE   56   2.68 +/- 0.38  99.940% * 99.4902% (0.87  10.0 10.00   4.66 124.38) = 100.000%  kept
        T QD2   LEU  123 - HB    ILE   56  13.00 +/- 2.78   0.049% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB    ILE   56  15.90 +/- 1.69   0.006% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB    ILE   56  15.11 +/- 1.00   0.005% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    ILE   56  22.56 +/- 1.57   0.000% *  0.0514% (0.45   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 2685 (0.80, 1.72, 31.79 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.97, residual support = 124.4:
      O T QD1   ILE   56 - QG1   ILE   56   1.91 +/- 0.02  99.992% * 98.2187% (0.87  10.0 10.00   3.97 124.38) = 100.000%  kept
        T HG3   LYS+ 121 - QG1   ILE   56  12.91 +/- 0.78   0.001% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QG1   ILE   56  12.57 +/- 0.87   0.001% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG1   ILE   56  10.83 +/- 1.71   0.006% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  18.94 +/- 1.56   0.000% *  0.0508% (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 2686 (1.28, 0.79, 15.02 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 4.95, residual support = 124.4:
        T QG2   ILE   56 - QD1   ILE   56   2.87 +/- 0.51  99.796% * 98.5057% (0.72 10.00   4.95 124.38) = 100.000%  kept
        T QB    ALA   34 - QD1   ILE   56  15.80 +/- 1.04   0.005% *  1.1899% (0.87 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   56   9.83 +/- 1.71   0.097% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD1   ILE   56   9.71 +/- 1.46   0.091% *  0.0255% (0.19  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD1   ILE   56  16.28 +/- 1.71   0.004% *  0.1263% (0.93  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD1   ILE   56  15.07 +/- 0.99   0.007% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  23.80 +/- 1.29   0.000% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2687 (1.43, 0.79, 15.02 ppm):
    14 chemical-shift based assignments, quality = 0.701, support = 1.78, residual support = 2.72:
          QB    ALA  110 - QD1   ILE   56   5.62 +/- 2.61  19.169% * 84.5973% (0.85  1.00   2.11   3.44) =  77.023%  kept
          HB3   LEU  115 - QD1   ILE   56   4.00 +/- 1.71  70.123% *  6.7639% (0.21  1.00   0.68   0.33) =  22.528%  kept
          QB    ALA   61 - QD1   ILE   56   6.99 +/- 0.50   8.707% *  0.8910% (0.94  1.00   0.02   0.02) =   0.368%
        T HD3   LYS+ 121 - QD1   ILE   56  12.14 +/- 1.12   0.304% *  2.4827% (0.26 10.00   0.02   0.02) =   0.036%
          QG    LYS+  66 - QD1   ILE   56  10.79 +/- 0.99   0.623% *  0.7746% (0.82  1.00   0.02   0.02) =   0.023%
          HB3   LEU   67 - QD1   ILE   56  14.12 +/- 1.17   0.109% *  0.8753% (0.93  1.00   0.02   0.02) =   0.005%
          HB3   LYS+  74 - QD1   ILE   56  12.97 +/- 1.21   0.358% *  0.2227% (0.24  1.00   0.02   0.02) =   0.004%
          HG    LEU   80 - QD1   ILE   56  16.43 +/- 1.79   0.096% *  0.8243% (0.87  1.00   0.02   0.02) =   0.004%
          HG12  ILE   19 - QD1   ILE   56  15.65 +/- 1.49   0.099% *  0.7458% (0.79  1.00   0.02   0.02) =   0.003%
          HG    LEU   73 - QD1   ILE   56  14.41 +/- 1.17   0.119% *  0.6134% (0.65  1.00   0.02   0.02) =   0.003%
          HB2   LEU   80 - QD1   ILE   56  15.96 +/- 1.48   0.084% *  0.3671% (0.39  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QD1   ILE   56  14.70 +/- 1.25   0.085% *  0.1988% (0.21  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QD1   ILE   56  13.78 +/- 1.66   0.114% *  0.1378% (0.15  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QD1   ILE   56  20.41 +/- 1.53   0.012% *  0.5055% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 7 structures by 0.99 A, kept.
 
    Peak 2688 (1.71, 0.79, 15.02 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 3.97, residual support = 124.4:
      O T QG1   ILE   56 - QD1   ILE   56   1.91 +/- 0.02  99.900% * 98.9931% (0.85  10.0 10.00   3.97 124.38) = 100.000%  kept
          HB3   MET   92 - QD1   ILE   56   8.28 +/- 1.72   0.057% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   ILE   56   8.22 +/- 2.21   0.037% *  0.0341% (0.29   1.0  1.00   0.02   2.08) =   0.000%
        T HB2   LEU   73 - QD1   ILE   56  13.94 +/- 1.38   0.001% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   ILE   56  11.01 +/- 1.27   0.004% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  13.74 +/- 1.97   0.001% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  16.46 +/- 1.19   0.000% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  17.32 +/- 1.42   0.000% *  0.0884% (0.76   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 2689 (1.89, 0.79, 15.02 ppm):
    10 chemical-shift based assignments, quality = 0.723, support = 4.66, residual support = 124.4:
      O T HB    ILE   56 - QD1   ILE   56   2.68 +/- 0.38  98.963% * 98.1990% (0.72  10.0 10.00   4.66 124.38) =  99.999%  kept
          HB3   PRO   58 - QD1   ILE   56   6.49 +/- 0.84   0.664% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QD1   ILE   56   9.42 +/- 1.72   0.282% *  0.1274% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   ILE   56   9.65 +/- 1.33   0.075% *  0.0438% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - QD1   ILE   56  17.93 +/- 1.48   0.002% *  1.2736% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  15.26 +/- 2.28   0.009% *  0.0320% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE   56  17.05 +/- 1.85   0.004% *  0.0397% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE   56  22.47 +/- 1.21   0.000% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  18.89 +/- 1.25   0.001% *  0.0254% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  26.03 +/- 2.97   0.000% *  0.0286% (0.21   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 2690 (3.46, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 1.22, residual support = 7.36:
        T HA    LYS+ 112 - QD1   ILE   56   4.00 +/- 2.02  83.652% * 99.7750% (0.79 10.00   1.22   7.36) =  99.987%  kept
          HB    THR   46 - QD1   ILE   56   8.75 +/- 1.93  13.501% *  0.0603% (0.29  1.00   0.02   0.02) =   0.010%
          HB2   HIS  122 - QD1   ILE   56  12.14 +/- 1.32   2.813% *  0.1105% (0.54  1.00   0.02   0.02) =   0.004%
          HB2   HIS   22 - QD1   ILE   56  19.78 +/- 1.77   0.035% *  0.0543% (0.26  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 7 structures by 1.17 A, kept.
 
    Peak 2691 (4.46, 0.79, 15.02 ppm):
    6 chemical-shift based assignments, quality = 0.845, support = 3.21, residual support = 12.2:
          HA    PHE   55 - QD1   ILE   56   4.71 +/- 0.81  44.235% * 56.2355% (0.76   3.94  20.43) =  51.405%  kept
          HA    ALA  110 - QD1   ILE   56   6.00 +/- 3.85  54.525% * 43.1255% (0.94   2.44   3.44) =  48.592%  kept
          HA    VAL  107 - QD1   ILE   56   7.96 +/- 1.46   0.780% *  0.1338% (0.36   0.02   0.02) =   0.002%
          HA    ALA   91 - QD1   ILE   56  12.00 +/- 2.23   0.310% *  0.0889% (0.24   0.02   0.02) =   0.001%
          HA    GLN   90 - QD1   ILE   56  14.60 +/- 2.02   0.050% *  0.3371% (0.89   0.02   0.02) =   0.000%
          HA    VAL   42 - QD1   ILE   56  12.13 +/- 1.29   0.100% *  0.0793% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 7 structures by 0.53 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  10.75 +/- 0.53 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.31 A violated in 20 structures by 7.44 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 15.02 ppm):
    3 chemical-shift based assignments, quality = 0.292, support = 0.75, residual support = 19.8:
          HN    PHE   59 - QD1   ILE   56   3.83 +/- 0.52  99.782% * 86.6026% (0.29   0.75  19.84) =  99.984%  kept
          HN    HIS  122 - QD1   ILE   56  11.23 +/- 0.79   0.198% *  6.4904% (0.82   0.02   0.02) =   0.015%
          HH2   TRP   87 - QD1   ILE   56  17.02 +/- 1.57   0.020% *  6.9071% (0.87   0.02   0.02) =   0.002%
    Distance limit 3.40 A violated in 4 structures by 0.50 A, kept.
 
    Peak 2694 (7.39, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.423, support = 4.64, residual support = 33.0:
          HN    ALA   57 - QD1   ILE   56   3.72 +/- 0.66  94.093% * 96.4170% (0.42   4.64  33.02) =  99.848%  kept
          HE21  GLN  116 - QD1   ILE   56   7.60 +/- 1.77   5.891% *  2.3410% (0.36   0.13   0.02) =   0.152%
          HE21  GLN   90 - QD1   ILE   56  16.98 +/- 1.76   0.014% *  0.8942% (0.91   0.02   0.02) =   0.000%
          HD21  ASN   35 - QD1   ILE   56  23.60 +/- 1.68   0.002% *  0.3477% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2695 (7.61, 0.79, 15.02 ppm):
    5 chemical-shift based assignments, quality = 0.238, support = 5.86, residual support = 123.7:
          HN    ILE   56 - QD1   ILE   56   3.11 +/- 0.91  92.977% * 89.0843% (0.24   5.89 124.38) =  99.411%  kept
          QE    PHE   60 - QD1   ILE   56   7.27 +/- 2.31   5.968% *  8.1419% (0.54   0.24   2.16) =   0.583%  kept
          HN    LEU   63 - QD1   ILE   56   7.81 +/- 0.59   1.042% *  0.4137% (0.32   0.02   0.02) =   0.005%
          HZ2   TRP   87 - QD1   ILE   56  16.35 +/- 1.69   0.010% *  1.2128% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   ILE   56  19.38 +/- 1.58   0.003% *  1.1473% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2696 (8.51, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.497, support = 1.74, residual support = 7.36:
          HN    LYS+ 112 - QD1   ILE   56   5.22 +/- 2.12  91.632% * 97.4185% (0.50   1.74   7.36) =  99.938%  kept
          HN    VAL   75 - QD1   ILE   56  11.23 +/- 1.45   6.635% *  0.4747% (0.21   0.02   0.02) =   0.035%
          HN    ASP-  78 - QD1   ILE   56  14.15 +/- 1.88   1.714% *  1.3794% (0.61   0.02   0.02) =   0.026%
          HN    MET   11 - QD1   ILE   56  26.68 +/- 3.01   0.019% *  0.7274% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 8 structures by 1.66 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.0, residual support = 19.8:
        T HB3   PHE   59 - QG1   ILE   56   3.06 +/- 0.63  94.687% * 99.8494% (0.38 10.00   3.00  19.84) =  99.992%  kept
          HB2   PHE   95 - QG1   ILE   56   6.37 +/- 1.52   5.313% *  0.1506% (0.57  1.00   0.02   0.54) =   0.008%
    Distance limit 3.59 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2698 (3.35, 1.72, 31.79 ppm):
    6 chemical-shift based assignments, quality = 0.351, support = 2.54, residual support = 19.9:
        T HB2   PHE   59 - QG1   ILE   56   3.00 +/- 0.64  87.955% * 73.3060% (0.34 10.00   2.49  19.84) =  96.244%  kept
          QB    PHE   55 - QG1   ILE   56   4.77 +/- 0.61   9.665% * 25.9943% (0.61  1.00   3.99  20.43) =   3.750%  kept
          HD3   PRO   93 - QG1   ILE   56   7.72 +/- 1.67   1.275% *  0.1561% (0.73  1.00   0.02   0.02) =   0.003%
          HB3   CYS   53 - QG1   ILE   56   7.09 +/- 0.83   0.997% *  0.1927% (0.90  1.00   0.02   0.02) =   0.003%
          HD2   ARG+  54 - QG1   ILE   56   9.87 +/- 0.72   0.096% *  0.2033% (0.95  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QG1   ILE   56  14.72 +/- 1.91   0.012% *  0.1476% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 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  10.83 +/- 0.69 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.86 A violated in 20 structures by 6.98 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 = 19.8:
          QD    PHE   59 - QG1   ILE   56   3.24 +/- 0.63  99.888% * 96.4506% (0.34   1.97  19.84) =  99.999%  kept
          HN    HIS  122 - QG1   ILE   56  11.32 +/- 0.97   0.098% *  1.1778% (0.41   0.02   0.02) =   0.001%
          HH2   TRP   87 - QG1   ILE   56  17.21 +/- 1.65   0.007% *  1.3944% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - QG1   ILE   56  17.84 +/- 1.70   0.006% *  0.9772% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 5.05, residual support = 124.4:
      O   HN    ILE   56 - HA    ILE   56   2.87 +/- 0.12  98.434% * 98.8687% (0.25  10.0   5.05 124.38) =  99.997%  kept
          QE    PHE   60 - HA    ILE   56   8.66 +/- 2.02   1.430% *  0.2245% (0.57   1.0   0.02   2.16) =   0.003%
          HN    LEU   63 - HA    ILE   56   8.82 +/- 0.61   0.135% *  0.1353% (0.34   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    ILE   56  20.78 +/- 1.48   0.001% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    ILE   56  23.91 +/- 1.31   0.000% *  0.3751% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2702 (3.81, 1.64, 16.31 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.07, residual support = 25.1:
        T HD2   PRO   58 - QB    ALA   57   2.28 +/- 0.36  88.870% * 98.8080% (0.95 10.00   5.07  25.07) =  99.995%  kept
          HB2   CYS   53 - QB    ALA   57   3.89 +/- 0.83  11.129% *  0.0356% (0.34  1.00   0.02   0.02) =   0.005%
        T HA    VAL   83 - QB    ALA   57  17.50 +/- 1.58   0.001% *  1.0238% (0.98 10.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    ALA   57  21.96 +/- 1.51   0.000% *  0.1035% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  22.34 +/- 0.75   0.000% *  0.0290% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.04 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   2.24 +/- 0.35  99.974% * 98.4865% (0.18  10.0   4.87  24.31) = 100.000%  kept
          HE21  GLN   17 - QB    ALA   57  12.50 +/- 1.66   0.007% *  0.4084% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - QB    ALA   57  12.78 +/- 0.68   0.005% *  0.3184% (0.57   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - QB    ALA   57  11.38 +/- 1.73   0.010% *  0.1252% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - QB    ALA   57  17.22 +/- 0.99   0.001% *  0.4697% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - QB    ALA   57  15.05 +/- 0.72   0.002% *  0.1918% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2704 (7.42, 4.26, 57.40 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 4.48, residual support = 24.3:
      O   HN    ALA   57 - HA    ALA   57   2.81 +/- 0.14  99.955% * 99.6015% (0.57  10.0   4.48  24.31) = 100.000%  kept
          HE21  GLN  116 - HA    ALA   57  12.37 +/- 2.12   0.028% *  0.1138% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   57  13.54 +/- 0.99   0.009% *  0.1698% (0.97   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  14.85 +/- 1.88   0.006% *  0.0489% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   57  19.14 +/- 1.25   0.001% *  0.0660% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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   2.13 +/- 0.01  99.575% * 98.9094% (0.53  10.0 10.00   2.81  24.31) = 100.000%  kept
          HG3   PRO   93 - HA    ALA   57   7.80 +/- 1.55   0.374% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    ALA   57   8.43 +/- 1.14   0.041% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    ALA   57  11.23 +/- 1.43   0.006% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    ALA   57  15.58 +/- 0.90   0.001% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    ALA   57  15.78 +/- 1.66   0.001% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    ALA   57  17.58 +/- 1.76   0.000% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  16.97 +/- 1.54   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  16.56 +/- 1.47   0.001% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  19.77 +/- 1.45   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  24.50 +/- 1.04   0.000% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  22.63 +/- 1.53   0.000% *  0.0580% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2706 (8.06, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.244, support = 0.02, residual support = 0.02:
          HN    CYS   53 - HB2   PRO   58  12.06 +/- 0.67  93.620% *  5.7685% (0.15   0.02   0.02) =  81.653%  kept
          HN    LEU   80 - HB2   PRO   58  21.68 +/- 1.09   2.937% * 11.5391% (0.31   0.02   0.02) =   5.124%  kept
          HN    GLN   32 - HB2   PRO   58  26.57 +/- 0.90   0.889% * 37.3861% (1.00   0.02   0.02) =   5.025%  kept
          HN    SER   85 - HB2   PRO   58  25.91 +/- 0.96   1.027% * 29.9364% (0.80   0.02   0.02) =   4.651%  kept
          HN    ALA   34 - HB2   PRO   58  24.40 +/- 1.03   1.526% * 15.3699% (0.41   0.02   0.02) =   3.547%  kept
    Distance limit 3.87 A violated in 20 structures by 8.06 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.3, residual support = 40.3:
      O   HN    PHE   59 - HB3   PRO   58   4.14 +/- 0.25  94.489% * 99.6725% (0.61  10.0   6.30  40.30) =  99.996%  kept
          QD    PHE   60 - HB3   PRO   58   7.40 +/- 0.81   4.021% *  0.0382% (0.23   1.0   0.02   0.02) =   0.002%
          QE    PHE   59 - HB3   PRO   58   8.85 +/- 0.60   1.064% *  0.1360% (0.83   1.0   0.02  40.30) =   0.002%
          HN    LYS+  66 - HB3   PRO   58  10.63 +/- 0.93   0.373% *  0.1049% (0.64   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HB3   PRO   58  15.07 +/- 1.23   0.050% *  0.0272% (0.17   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PRO   58  24.56 +/- 1.40   0.002% *  0.0212% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 147.2:
      O   HD2   PRO   58 - HG3   PRO   58   2.33 +/- 0.12  99.970% * 99.7269% (0.95  10.0   5.39 147.15) = 100.000%  kept
          HB2   CYS   53 - HG3   PRO   58   9.32 +/- 0.77   0.030% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   58  25.11 +/- 1.32   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   58  28.14 +/- 1.64   0.000% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  28.43 +/- 0.96   0.000% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2709 (4.42, 1.98, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 4.5, residual support = 147.2:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.00  99.802% * 99.2991% (0.76  10.0   4.50 147.15) = 100.000%  kept
          HA    THR   46 - HG3   PRO   58  12.29 +/- 0.74   0.107% *  0.1254% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   58  13.43 +/- 0.97   0.067% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   58  18.92 +/- 1.02   0.008% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HG3   PRO   58  17.61 +/- 1.01   0.012% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   58  24.47 +/- 2.07   0.002% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   58  23.09 +/- 1.05   0.002% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   58  29.48 +/- 1.13   0.001% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.536, support = 5.63, residual support = 25.1:
          HN    ALA   57 - HD2   PRO   58   2.00 +/- 0.47  99.988% * 98.5983% (0.54   5.63  25.07) = 100.000%  kept
          HE21  GLN  116 - HD2   PRO   58  11.58 +/- 2.13   0.008% *  0.4003% (0.61   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   58  13.63 +/- 1.01   0.003% *  0.5971% (0.91   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   58  16.18 +/- 1.81   0.001% *  0.1720% (0.26   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   58  19.11 +/- 1.53   0.000% *  0.2322% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 147.2:
      O   HA    PRO   58 - HD3   PRO   58   3.97 +/- 0.04  97.854% * 99.2639% (0.72  10.0   6.52 147.15) =  99.999%  kept
          HA    THR   46 - HD3   PRO   58  10.16 +/- 0.59   0.373% *  0.1254% (0.91   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HD3   PRO   58  13.02 +/- 1.00   0.091% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   68   9.97 +/- 1.43   0.579% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68  10.81 +/- 1.47   0.391% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD3   PRO   58  15.45 +/- 1.05   0.031% *  0.0487% (0.36   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD3   PRO   58  18.43 +/- 1.01   0.010% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  11.23 +/- 1.78   0.293% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  11.60 +/- 1.63   0.230% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD3   PRO   58  21.23 +/- 1.06   0.004% *  0.0788% (0.57   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  14.30 +/- 1.68   0.061% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD3   PRO   58  24.18 +/- 2.02   0.002% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  14.88 +/- 1.55   0.042% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  16.21 +/- 2.04   0.029% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD3   PRO   58  28.09 +/- 1.28   0.001% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  20.22 +/- 1.77   0.007% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.536, support = 3.95, residual support = 25.1:
          HN    ALA   57 - HD3   PRO   58   2.08 +/- 0.21  99.900% * 97.9079% (0.54   3.95  25.07) = 100.000%  kept
          HE21  GLN  116 - HD3   PRO   58  10.34 +/- 2.35   0.030% *  0.5661% (0.61   0.02   0.02) =   0.000%
          HN    ALA  120 - HD3   PRO   58  12.26 +/- 1.07   0.003% *  0.8445% (0.91   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   68  10.58 +/- 4.62   0.056% *  0.0145% (0.02   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   68  12.55 +/- 2.76   0.005% *  0.0374% (0.04   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD3   PRO   58  16.52 +/- 1.72   0.001% *  0.2433% (0.26   0.02   0.02) =   0.000%
          HN    ALA  124 - HD3   PRO   58  18.02 +/- 1.67   0.000% *  0.3284% (0.36   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  14.72 +/- 3.43   0.002% *  0.0251% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  13.52 +/- 2.00   0.002% *  0.0108% (0.01   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  17.58 +/- 2.07   0.001% *  0.0219% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 25.1:
          QB    ALA   57 - HD3   PRO   58   3.28 +/- 0.36  96.924% * 96.7335% (0.87   3.30  25.07) =  99.998%  kept
          HD2   LYS+  74 - HD3   PRO   58  11.65 +/- 1.05   0.070% *  0.6298% (0.94   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   68  11.04 +/- 4.55   1.902% *  0.0182% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD3   PRO   58  11.24 +/- 1.21   0.084% *  0.3093% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   PRO   58  14.51 +/- 2.08   0.022% *  0.5698% (0.85   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD2   PRO   68   9.02 +/- 1.49   0.799% *  0.0137% (0.02   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   PRO   58  15.60 +/- 1.72   0.012% *  0.4110% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD3   PRO   58  14.97 +/- 1.01   0.014% *  0.3343% (0.50   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   68  12.71 +/- 2.57   0.079% *  0.0148% (0.02   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   68  13.74 +/- 2.22   0.037% *  0.0182% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   PRO   58  22.01 +/- 1.50   0.002% *  0.4110% (0.61   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   PRO   68  14.87 +/- 1.56   0.021% *  0.0260% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   PRO   58  20.73 +/- 1.45   0.002% *  0.2612% (0.39   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   PRO   68  16.15 +/- 2.04   0.012% *  0.0279% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  14.62 +/- 1.61   0.018% *  0.0078% (0.01   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   PRO   58  25.92 +/- 1.08   0.001% *  0.1767% (0.26   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  24.33 +/- 3.24   0.001% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  23.64 +/- 1.41   0.001% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.07, residual support = 25.1:
        T QB    ALA   57 - HD2   PRO   58   2.28 +/- 0.36  99.971% * 97.4262% (0.87 10.00   5.07  25.07) = 100.000%  kept
        T HD2   LYS+  74 - HD2   PRO   58  11.53 +/- 1.34   0.011% *  1.0461% (0.94 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   PRO   58  11.27 +/- 1.36   0.012% *  0.5137% (0.46 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   58  15.53 +/- 2.02   0.002% *  0.0947% (0.85  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HD2   PRO   58  20.97 +/- 1.58   0.000% *  0.4339% (0.39 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   58  16.39 +/- 0.97   0.001% *  0.0555% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   58  16.76 +/- 1.56   0.001% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   PRO   58  26.75 +/- 0.88   0.000% *  0.2934% (0.26 10.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   58  22.28 +/- 1.37   0.000% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2715 (3.81, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 7.73, residual support = 147.2:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  99.981% * 99.6708% (0.89  10.0 10.00   7.73 147.15) = 100.000%  kept
          HB2   CYS   53 - HD3   PRO   58   7.54 +/- 0.66   0.018% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  17.43 +/- 1.81   0.000% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  22.77 +/- 1.34   0.000% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  26.16 +/- 1.57   0.000% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  16.68 +/- 2.02   0.000% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  14.91 +/- 1.75   0.000% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  26.70 +/- 1.03   0.000% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  20.84 +/- 2.37   0.000% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  25.16 +/- 1.36   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 = 147.2:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  99.992% * 99.5891% (0.95  10.0 10.00   7.73 147.15) = 100.000%  kept
          HA    ALA   61 - HD2   PRO   58   8.59 +/- 0.43   0.008% *  0.0446% (0.42   1.0  1.00   0.02   0.74) =   0.000%
        T HD2   PRO   68 - HD2   PRO   58  17.43 +/- 1.81   0.000% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   PRO   58  16.08 +/- 0.97   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   3.61 +/- 0.31  99.089% * 99.0697% (0.69   6.65  40.30) =  99.999%  kept
          QE    PHE   59 - HD2   PRO   58   8.35 +/- 1.06   0.892% *  0.1400% (0.32   0.02  40.30) =   0.001%
          HN    HIS  122 - HD2   PRO   58  15.80 +/- 1.15   0.017% *  0.4022% (0.93   0.02   0.02) =   0.000%
          HH2   TRP   87 - HD2   PRO   58  23.00 +/- 1.26   0.002% *  0.3881% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 19.8:
        T QG1   ILE   56 - HB3   PHE   59   3.06 +/- 0.63  99.993% * 99.6917% (0.53 10.00   3.00  19.84) = 100.000%  kept
          HB    ILE   89 - HB3   PHE   59  18.08 +/- 1.72   0.004% *  0.1857% (0.98  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   PHE   59  19.06 +/- 1.65   0.003% *  0.1226% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.465, support = 0.695, residual support = 5.99:
          HB3   ASP-  62 - HB3   PHE   59   5.26 +/- 0.84  42.335% * 68.9982% (0.45   0.75   6.49) =  91.652%  kept
          QE    LYS+ 112 - HB3   PHE   59   5.27 +/- 1.91  51.928% *  3.2862% (0.80   0.02   0.02) =   5.354%  kept
          HB    VAL  107 - HB3   PHE   59   8.14 +/- 1.84   5.621% * 16.9088% (0.38   0.22   1.18) =   2.982%  kept
          HB3   PHE   45 - HB3   PHE   59  13.23 +/- 1.44   0.111% *  3.2862% (0.80   0.02   0.02) =   0.011%
          HB3   ASP-  86 - HB3   PHE   59  22.62 +/- 1.61   0.004% *  3.5599% (0.87   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB3   PHE   59  26.82 +/- 1.44   0.001% *  3.9606% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.49, residual support = 19.8:
        T QG1   ILE   56 - HB2   PHE   59   3.00 +/- 0.64  99.952% * 99.0024% (0.18 10.00   2.49  19.84) = 100.000%  kept
          HB    VAL   43 - HB2   PHE   59  13.72 +/- 1.87   0.034% *  0.1928% (0.34  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB2   PHE   59  17.70 +/- 1.53   0.005% *  0.3657% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB2   PHE   59  18.84 +/- 1.87   0.004% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   PHE   59  19.36 +/- 1.85   0.003% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HB2   PHE   59  20.94 +/- 1.41   0.001% *  0.1572% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.06 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   2.40 +/- 0.43  99.902% * 99.4232% (0.31  10.0   4.98  58.46) = 100.000%  kept
          HN    HIS  122 - HB3   PHE   59  10.81 +/- 1.58   0.098% *  0.2794% (0.87   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PHE   59  20.48 +/- 1.67   0.000% *  0.2974% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.02 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   2.47 +/- 0.46  95.696% * 99.7763% (1.00  10.0   4.37  58.46) =  99.996%  kept
          QE    PHE   59 - HB2   PHE   59   4.48 +/- 0.05   4.247% *  0.0799% (0.80   1.0   0.02  58.46) =   0.004%
          HN    HIS  122 - HB2   PHE   59  10.89 +/- 0.98   0.022% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HB2   PHE   59  10.19 +/- 0.51   0.035% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   PHE   59  20.07 +/- 1.62   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2724 (2.65, 4.35, 60.90 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 1.5, residual support = 6.49:
          HB2   ASP-  62 - HA    PHE   59   3.27 +/- 0.32  99.857% * 97.0773% (0.99  1.00   1.50   6.49) =  99.997%  kept
        T QB    ASP- 113 - HA    PHE   59  10.95 +/- 1.36   0.116% *  2.2871% (0.18 10.00   0.02   0.02) =   0.003%
          HB2   PRO   52 - HA    PHE   59  13.50 +/- 0.82   0.027% *  0.6357% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.95, residual support = 6.49:
          HB3   ASP-  62 - HA    PHE   59   2.87 +/- 0.82  93.962% * 85.4423% (0.18  1.00   2.96   6.49) =  99.915%  kept
          HG3   GLN  116 - HA    PHE   59   7.64 +/- 2.19   6.025% *  1.1256% (0.34  1.00   0.02   0.55) =   0.084%
        T HB3   TRP   87 - HA    PHE   59  19.89 +/- 1.27   0.002% *  9.1744% (0.28 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    PHE   59  16.00 +/- 1.61   0.011% *  1.7360% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    PHE   59  26.32 +/- 2.41   0.000% *  2.5217% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.06 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   2.76 +/- 0.03  96.148% * 99.7763% (1.00  10.0   4.97  58.46) =  99.997%  kept
          QE    PHE   59 - HA    PHE   59   4.93 +/- 0.47   3.632% *  0.0799% (0.80   1.0   0.02  58.46) =   0.003%
          HN    LYS+  66 - HA    PHE   59   8.06 +/- 0.52   0.170% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HA    PHE   59  10.31 +/- 1.36   0.049% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HA    PHE   59  21.37 +/- 1.52   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 4.0, residual support = 19.2:
          HN    PHE   60 - HB3   PHE   59   3.52 +/- 0.47  95.255% * 98.7536% (0.61   4.00  19.15) =  99.991%  kept
          HN    GLN  116 - HB3   PHE   59   6.58 +/- 0.80   3.675% *  0.1426% (0.18   0.02   0.55) =   0.006%
          HN    THR  118 - HB3   PHE   59   8.23 +/- 0.99   1.065% *  0.3056% (0.38   0.02  11.21) =   0.003%
          HN    GLU-  15 - HB3   PHE   59  19.07 +/- 1.13   0.005% *  0.7982% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.989, support = 3.9, residual support = 70.9:
          QD    PHE   60 - HA    PHE   60   2.84 +/- 0.44  88.039% * 91.3531% (1.00   3.93  71.47) =  98.866%  kept
          QE    PHE   59 - HA    PHE   60   4.54 +/- 1.19  11.609% *  7.9348% (0.25   1.36  19.15) =   1.132%  kept
          HN    LYS+  66 - HA    PHE   60   7.48 +/- 0.36   0.351% *  0.3387% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    PHE   60  20.55 +/- 1.09   0.001% *  0.3734% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.94, residual support = 71.5:
      O   HN    PHE   60 - HA    PHE   60   2.82 +/- 0.05  99.821% * 99.7483% (0.61  10.0   4.94  71.47) = 100.000%  kept
          HN    THR  118 - HA    PHE   60   9.77 +/- 1.11   0.076% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    PHE   60   9.69 +/- 1.14   0.097% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    PHE   60  14.86 +/- 1.24   0.005% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 4.87, residual support = 40.6:
      O   HN    ALA   61 - HA    PHE   60   3.63 +/- 0.01  99.949% * 99.5823% (0.84  10.0   4.87  40.60) = 100.000%  kept
          HN    TRP   27 - HA    PHE   60  17.16 +/- 1.31   0.010% *  0.1182% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    PHE   60  17.08 +/- 1.35   0.011% *  0.1069% (0.90   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    PHE   60  16.53 +/- 0.77   0.012% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    PHE   60  17.72 +/- 1.16   0.008% *  0.0627% (0.53   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    PHE   60  17.77 +/- 1.28   0.008% *  0.0580% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    PHE   60  21.24 +/- 1.38   0.003% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.169, support = 0.737, residual support = 0.762:
          HA    ALA   57 - HB2   PHE   60   3.62 +/- 0.64  90.472% * 42.7977% (0.15   0.75   0.74) =  98.223%  kept
          HA    ASP-  44 - HB2   PHE   60   6.75 +/- 1.26   9.419% *  7.3803% (1.00   0.02   2.17) =   1.763%  kept
          HB    THR   77 - HB2   PHE   60  14.86 +/- 0.92   0.027% *  7.2502% (0.98   0.02   0.02) =   0.005%
          HA    ILE  103 - HB2   PHE   60  16.60 +/- 1.50   0.015% *  6.8280% (0.92   0.02   0.02) =   0.003%
          HA1   GLY   51 - HB2   PHE   60  13.84 +/- 1.13   0.030% *  2.7761% (0.38   0.02   0.02) =   0.002%
          HA    GLU-  79 - HB2   PHE   60  18.30 +/- 1.04   0.008% *  4.1877% (0.57   0.02   0.02) =   0.001%
          HA    GLU-  14 - HB2   PHE   60  17.21 +/- 1.60   0.011% *  3.0409% (0.41   0.02   0.02) =   0.001%
          HA    THR   39 - HB2   PHE   60  18.22 +/- 1.22   0.008% *  3.6004% (0.49   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   PHE   60  20.89 +/- 0.98   0.003% *  7.2502% (0.98   0.02   0.02) =   0.001%
          HA    ALA   12 - HB2   PHE   60  22.02 +/- 2.61   0.003% *  3.8916% (0.53   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   PHE   60  21.43 +/- 1.11   0.003% *  3.6004% (0.49   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   PHE   60  24.74 +/- 3.07   0.001% *  7.3967% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.07 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 = 71.5:
      O   QD    PHE   60 - HB2   PHE   60   2.43 +/- 0.15  99.929% * 99.7759% (0.76  10.0   3.76  71.47) = 100.000%  kept
          HN    LYS+  66 - HB2   PHE   60   9.49 +/- 0.37   0.033% *  0.0363% (0.28   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   PHE   60   9.61 +/- 0.87   0.034% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   PHE   60  14.26 +/- 0.96   0.003% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB2   PHE   60  19.05 +/- 1.05   0.001% *  0.1294% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 4.82, residual support = 40.6:
          HN    ALA   61 - HB2   PHE   60   2.74 +/- 0.44  99.978% * 95.6707% (0.38   4.82  40.60) = 100.000%  kept
          HD1   TRP   87 - HB2   PHE   60  15.96 +/- 1.20   0.005% *  0.9492% (0.90   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   PHE   60  16.71 +/- 1.10   0.004% *  0.8475% (0.80   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   PHE   60  15.61 +/- 1.10   0.006% *  0.4745% (0.45   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   PHE   60  19.49 +/- 1.22   0.001% *  0.9770% (0.92   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   PHE   60  20.25 +/- 1.94   0.002% *  0.3610% (0.34   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   PHE   60  17.86 +/- 1.62   0.003% *  0.1633% (0.15   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   PHE   60  22.53 +/- 1.25   0.001% *  0.5568% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2735 (8.20, 3.40, 40.02 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.8, residual support = 71.5:
      O   HN    PHE   60 - HB2   PHE   60   2.14 +/- 0.24  99.985% * 99.7483% (0.61  10.0   4.80  71.47) = 100.000%  kept
          HN    THR  118 - HB2   PHE   60  11.42 +/- 1.11   0.006% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   PHE   60  10.75 +/- 1.05   0.008% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB2   PHE   60  15.33 +/- 1.37   0.001% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 3.33, residual support = 11.8:
        T QD1   LEU   63 - HA    PHE   60   2.81 +/- 0.73  87.298% * 93.2633% (1.00 10.00   3.34  11.80) =  99.367%  kept
          QD2   LEU   63 - HA    PHE   60   4.65 +/- 0.75  10.098% *  5.1071% (0.57  1.00   1.93  11.80) =   0.629%  kept
          QD2   LEU  115 - HA    PHE   60   6.04 +/- 1.24   2.473% *  0.0779% (0.84  1.00   0.02   0.02) =   0.002%
        T QD1   LEU   73 - HA    PHE   60  10.57 +/- 1.18   0.089% *  0.9326% (1.00 10.00   0.02   1.20) =   0.001%
        T QD1   LEU  104 - HA    PHE   60  13.27 +/- 1.70   0.019% *  0.5280% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    PHE   60  13.67 +/- 1.34   0.015% *  0.0747% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    PHE   60  15.20 +/- 1.40   0.008% *  0.0163% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 11.8:
        T HB2   LEU   63 - HA    PHE   60   2.88 +/- 0.43  96.466% * 98.8172% (0.92 10.00   1.50  11.80) =  99.995%  kept
          HB3   ASP-  44 - HA    PHE   60   6.06 +/- 1.44   3.007% *  0.1399% (0.98  1.00   0.02   2.17) =   0.004%
          HB3   PRO   93 - HA    PHE   60   9.30 +/- 1.59   0.371% *  0.1238% (0.87  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    PHE   60  15.45 +/- 2.66   0.028% *  0.0866% (0.61  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    PHE   60  14.03 +/- 1.79   0.013% *  0.1424% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    PHE   60  14.05 +/- 1.30   0.011% *  0.1377% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    PHE   60  11.86 +/- 1.22   0.033% *  0.0318% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   60  11.15 +/- 1.20   0.046% *  0.0220% (0.15  1.00   0.02   1.20) =   0.000%
          QB    ALA   84 - HA    PHE   60  15.73 +/- 0.85   0.005% *  0.1280% (0.90  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   60  13.66 +/- 1.12   0.011% *  0.0441% (0.31  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    PHE   60  17.48 +/- 0.86   0.003% *  0.1192% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    PHE   60  19.06 +/- 1.14   0.002% *  0.0980% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    PHE   60  17.51 +/- 1.25   0.002% *  0.0487% (0.34  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    PHE   60  21.94 +/- 1.06   0.001% *  0.0356% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  20.97 +/- 1.31   0.001% *  0.0250% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2739 (0.77, 3.74, 54.57 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 0.986, residual support = 3.4:
        T QG2   VAL   18 - HA    ALA   61   3.53 +/- 1.53  93.996% * 93.9177% (0.34 10.00   0.99   3.40) =  99.971%  kept
          QD2   LEU   73 - HA    ALA   61   9.08 +/- 0.79   1.627% *  0.4842% (0.87  1.00   0.02   0.02) =   0.009%
          QD1   ILE   56 - HA    ALA   61   8.95 +/- 0.54   2.213% *  0.3385% (0.61  1.00   0.02   0.02) =   0.008%
        T QG1   VAL   41 - HA    ALA   61  13.73 +/- 0.76   0.147% *  4.2657% (0.76 10.00   0.02   0.02) =   0.007%
          QG2   THR   46 - HA    ALA   61   9.49 +/- 1.14   1.471% *  0.1392% (0.25  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HA    ALA   61  11.15 +/- 0.81   0.521% *  0.3160% (0.57  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HA    ALA   61  18.07 +/- 0.87   0.024% *  0.5387% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 7 structures by 0.89 A, kept.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.5, residual support = 7.29:
        T QB    ALA   64 - HA    ALA   61   2.63 +/- 0.45  99.839% * 98.7496% (0.34 10.00   2.50   7.29) = 100.000%  kept
          QD1   LEU  115 - HA    ALA   61   9.28 +/- 1.34   0.144% *  0.1639% (0.57  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   75 - HA    ALA   61  12.03 +/- 0.60   0.017% *  1.0865% (0.38 10.00   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 7.29:
          HN    ALA   64 - HA    ALA   61   3.39 +/- 0.21 100.000% *100.0000% (0.84   0.75   7.29) = 100.000%  kept
    Distance limit 3.97 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 +/- 0.04  99.992% * 98.9218% (0.38  10.0   2.77  18.02) = 100.000%  kept
          HN    TRP   27 - HA    ALA   61  16.88 +/- 0.79   0.002% *  0.2111% (0.80   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ALA   61  18.13 +/- 0.70   0.001% *  0.2433% (0.92   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ALA   61  18.95 +/- 0.98   0.001% *  0.2364% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ALA   61  19.55 +/- 1.14   0.001% *  0.1182% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ALA   61  21.24 +/- 0.77   0.001% *  0.1387% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    ALA   61  21.31 +/- 1.53   0.001% *  0.0899% (0.34   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  20.72 +/- 1.40   0.001% *  0.0407% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 3.81, residual support = 70.9:
      O   QD    PHE   60 - HB3   PHE   60   2.50 +/- 0.16  84.110% * 94.1626% (0.73  10.0   3.84  71.47) =  98.949%  kept
          QE    PHE   59 - HB3   PHE   60   5.26 +/- 2.11  14.952% *  5.6233% (0.65   1.0   1.34  19.15) =   1.050%  kept
          HN    PHE   59 - HB3   PHE   60   5.53 +/- 0.45   0.905% *  0.0361% (0.28   1.0   0.02  19.15) =   0.000%
          HN    LYS+  66 - HB3   PHE   60   9.39 +/- 0.49   0.032% *  0.1294% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PHE   60  18.83 +/- 1.11   0.000% *  0.0487% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 71.5:
      O   HN    PHE   60 - HB3   PHE   60   2.87 +/- 0.39  99.987% * 99.5797% (0.20  10.0   4.94  71.47) = 100.000%  kept
          HN    GLU-  15 - HB3   PHE   60  15.19 +/- 1.81   0.013% *  0.4203% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.84, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  15.40 +/- 1.07  40.319% * 23.9067% (0.95   0.02   0.02) =  51.368%  kept
          HN    THR   39 - HB3   PHE   60  18.65 +/- 1.40  12.781% * 23.3294% (0.92   0.02   0.02) =  15.890%  kept
          HN    TRP   27 - HB3   PHE   60  16.20 +/- 1.23  30.439% *  8.6206% (0.34   0.02   0.02) =  13.984%  kept
          HN    LYS+ 102 - HB3   PHE   60  19.27 +/- 1.89  11.318% * 20.2366% (0.80   0.02   0.02) =  12.206%  kept
          HN    GLU-  36 - HB3   PHE   60  21.70 +/- 1.48   5.144% * 23.9067% (0.95   0.02   0.02) =   6.553%  kept
    Distance limit 3.57 A violated in 20 structures by 9.57 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   2.23 +/- 0.20  99.990% * 58.7580% (0.33  1.00   2.31   5.56) =  99.999%  kept
        T HA    ASN   28 - QB    ALA   84  12.45 +/- 0.85   0.004% * 13.7635% (0.89 10.00   0.02   0.02) =   0.001%
        T HA    ALA   34 - QB    ALA   84  18.89 +/- 0.78   0.000% * 11.3945% (0.74 10.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   84  15.44 +/- 1.16   0.001% *  1.2933% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   84  16.69 +/- 1.31   0.001% *  1.3372% (0.87  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA   84  16.57 +/- 2.69   0.001% *  0.8441% (0.55  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   84  26.58 +/- 1.92   0.000% * 11.3945% (0.74 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   84  13.81 +/- 0.78   0.002% *  0.2301% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   84  19.00 +/- 1.48   0.000% *  0.6130% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   84  22.76 +/- 0.91   0.000% *  0.3718% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.183, support = 2.2, residual support = 19.3:
          HA    SER   85 - QB    ALA   84   3.80 +/- 0.04  31.344% * 37.5688% (0.15  1.00   2.33  20.73) =  93.261%  kept
          HA    ASP-  86 - QB    ALA   84   6.52 +/- 0.05   1.225% * 51.2345% (0.84  1.00   0.57   0.02) =   4.972%  kept
          HB    THR   77 - QB    ALA   84   3.32 +/- 0.52  66.484% *  0.3225% (0.15  1.00   0.02   0.02) =   1.698%  kept
          HA    TRP   87 - QB    ALA   84   7.00 +/- 0.17   0.851% *  0.5811% (0.27  1.00   0.02   0.02) =   0.039%
        T HA    ASP-  44 - QB    ALA   84  10.20 +/- 0.48   0.089% *  4.1360% (0.19 10.00   0.02   0.02) =   0.029%
          HA    LEU  104 - QB    ALA   84  17.21 +/- 1.34   0.004% *  2.0169% (0.93  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QB    ALA   84  23.20 +/- 1.40   0.001% *  1.9293% (0.89  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    ALA   84  25.57 +/- 2.55   0.000% *  1.7457% (0.81  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   84  27.12 +/- 2.86   0.000% *  0.4653% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.34, residual support = 18.8:
      O   HN    ALA   84 - QB    ALA   84   2.01 +/- 0.05  99.967% * 98.8488% (0.30  10.0   4.34  18.78) = 100.000%  kept
          HZ2   TRP   87 - QB    ALA   84   8.26 +/- 0.60   0.023% *  0.2326% (0.70   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    ALA   84  10.43 +/- 1.14   0.006% *  0.2872% (0.87   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    ALA   84  12.10 +/- 0.93   0.003% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - QB    ALA   84  15.18 +/- 1.09   0.001% *  0.2200% (0.66   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    ALA   84  18.39 +/- 0.83   0.000% *  0.2564% (0.77   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QB    ALA   84  16.27 +/- 1.51   0.000% *  0.0988% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 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   2.74 +/- 0.12  98.169% * 98.8043% (0.77   3.87  20.73) =  99.996%  kept
          HN    LEU   80 - QB    ALA   84   5.44 +/- 0.37   1.813% *  0.1969% (0.30   0.02   0.02) =   0.004%
          HN    GLN   32 - QB    ALA   84  16.20 +/- 0.93   0.003% *  0.6380% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   84  12.41 +/- 1.18   0.013% *  0.0984% (0.15   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    ALA   84  17.61 +/- 0.81   0.002% *  0.2623% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 24.1:
          HN    LEU  123 - QB    ALA  120   3.89 +/- 0.09  95.251% * 42.6516% (0.94   0.02  24.86) =  97.038%  kept
          HN    ALA  124 - QB    ALA  120   6.43 +/- 0.24   4.738% * 26.1005% (0.57   0.02   0.02) =   2.954%  kept
          HE21  GLN   17 - QB    ALA  120  19.03 +/- 2.41   0.011% * 31.2479% (0.69   0.02   0.02) =   0.008%
    Distance limit 2.75 A violated in 20 structures by 1.10 A, eliminated.
    Peak unassigned.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 2.37, residual support = 6.4:
        T HA    SER  117 - QB    ALA  120   2.75 +/- 0.40  99.973% * 99.1094% (0.54 10.00   2.37   6.40) = 100.000%  kept
          HA    ALA   57 - QB    ALA  120  13.15 +/- 0.94   0.011% *  0.1656% (0.89  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA  120  15.92 +/- 3.09   0.006% *  0.0991% (0.54  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA  120  14.79 +/- 2.25   0.009% *  0.0307% (0.17  1.00   0.02   0.02) =   0.000%
        T HB    THR   26 - QB    ALA  120  23.41 +/- 1.61   0.000% *  0.3897% (0.21 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA  120  19.77 +/- 1.56   0.001% *  0.1202% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA  120  25.67 +/- 1.08   0.000% *  0.0852% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.03, residual support = 18.0:
      O   HN    ALA   61 - QB    ALA   61   2.08 +/- 0.07  99.960% * 99.3531% (0.97  10.0   4.03  18.02) = 100.000%  kept
          HN    ALA   61 - QB    ALA  110  12.06 +/- 3.25   0.030% *  0.0735% (0.71   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA  110  11.44 +/- 1.63   0.005% *  0.0755% (0.73   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   61  15.23 +/- 0.81   0.001% *  0.0923% (0.90   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA  110  15.09 +/- 1.73   0.001% *  0.0553% (0.54   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA   61  16.41 +/- 1.09   0.000% *  0.1020% (0.99   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  14.40 +/- 1.67   0.001% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  18.40 +/- 1.19   0.000% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  16.66 +/- 1.03   0.000% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  20.43 +/- 2.32   0.000% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  17.03 +/- 0.54   0.000% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  23.07 +/- 2.07   0.000% *  0.0235% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 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   2.64 +/- 0.26  99.754% * 99.6796% (0.87  10.0   2.12   9.59) = 100.000%  kept
          HN    PHE   45 - QB    ALA  110  10.12 +/- 2.22   0.081% *  0.0743% (0.65   1.0   0.02   0.02) =   0.000%
          HN    PHE   45 - QB    ALA   61   9.69 +/- 0.73   0.055% *  0.0550% (0.48   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA   61   9.12 +/- 0.81   0.083% *  0.0236% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   61  13.87 +/- 2.66   0.010% *  0.0738% (0.64   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA  110  13.14 +/- 2.31   0.016% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  17.49 +/- 0.89   0.001% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  21.80 +/- 2.27   0.000% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2755 (7.86, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 2.79, residual support = 8.35:
          HN    ASP-  62 - QB    ALA   61   2.77 +/- 0.21  96.400% * 96.2308% (1.00   2.79   8.35) =  99.989%  kept
          HN    PHE   55 - QB    ALA  110   7.43 +/- 3.14   2.767% *  0.2295% (0.33   0.02   0.18) =   0.007%
          HN    ARG+  54 - QB    ALA  110   8.68 +/- 3.21   0.533% *  0.4440% (0.64   0.02   0.02) =   0.003%
          HN    ASP-  62 - QB    ALA  110  12.73 +/- 3.04   0.174% *  0.5108% (0.74   0.02   0.02) =   0.001%
          HN    ARG+  54 - QB    ALA   61   9.68 +/- 1.00   0.061% *  0.6001% (0.87   0.02   0.02) =   0.000%
          HN    PHE   55 - QB    ALA   61   9.66 +/- 0.94   0.061% *  0.3101% (0.45   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   61  16.50 +/- 0.70   0.002% *  0.6781% (0.98   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA   61  19.03 +/- 0.55   0.001% *  0.2844% (0.41   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA  110  21.59 +/- 2.00   0.001% *  0.5018% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA  110  24.77 +/- 1.94   0.000% *  0.2105% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 0.81, support = 0.02, residual support = 0.02:
          HA    GLU-  14 - HB2   ASP-  62  17.48 +/- 1.04  51.362% * 21.5631% (0.76   0.02   0.02) =  50.199%  kept
          HA    LEU  104 - HB2   ASP-  62  20.13 +/- 1.93  24.869% * 28.1529% (1.00   0.02   0.02) =  31.733%  kept
          HA    ALA   12 - HB2   ASP-  62  22.47 +/- 2.55  13.087% * 18.2527% (0.65   0.02   0.02) =  10.827%  kept
          HA    TRP   87 - HB2   ASP-  62  24.54 +/- 1.45   7.021% * 12.6499% (0.45   0.02   0.02) =   4.026%  kept
          HA    ASP-  86 - HB2   ASP-  62  27.28 +/- 1.20   3.660% * 19.3814% (0.69   0.02   0.02) =   3.215%  kept
    Distance limit 3.41 A violated in 20 structures by 12.16 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.769, support = 0.02, residual support = 0.02:
          HA    GLU-  14 - HB3   ASP-  62  17.45 +/- 1.14  50.045% *  7.8573% (0.75  1.00   0.02   0.02) =  37.476%  kept
          HA    LEU  104 - HB3   ASP-  62  19.83 +/- 1.83  26.332% * 10.2586% (0.98  1.00   0.02   0.02) =  25.745%  kept
        T HA    ASP-  86 - HB3   ASP-  62  26.90 +/- 0.99   3.813% * 70.6236% (0.67 10.00   0.02   0.02) =  25.662%  kept
          HA    ALA   12 - HB3   ASP-  62  22.55 +/- 2.61  12.413% *  6.6511% (0.63  1.00   0.02   0.02) =   7.868%  kept
          HA    TRP   87 - HB3   ASP-  62  24.14 +/- 1.15   7.396% *  4.6095% (0.44  1.00   0.02   0.02) =   3.249%  kept
    Distance limit 3.15 A violated in 20 structures by 12.32 A, eliminated.
    Peak unassigned.
 
    Peak 2758 (6.93, 4.22, 57.45 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 1.02, residual support = 3.81:
          HN    LYS+  65 - HA    ASP-  62   3.46 +/- 0.28 100.000% *100.0000% (0.15   1.02   3.81) = 100.000%  kept
    Distance limit 3.59 A violated in 0 structures by 0.07 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  99.988% * 99.7294% (1.00  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HA    ASP-  62  14.75 +/- 0.83   0.005% *  0.0867% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ASP-  62  14.00 +/- 0.87   0.007% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ASP-  62  21.48 +/- 0.88   0.000% *  0.0980% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  22.55 +/- 1.11   0.000% *  0.0411% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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   3.31 +/- 0.63  99.769% * 98.7121% (0.97   5.24  42.43) =  99.999%  kept
          HN    ILE   56 - HB2   ASP-  62  10.37 +/- 0.82   0.189% *  0.3502% (0.90   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HB2   ASP-  62  14.84 +/- 3.13   0.038% *  0.2055% (0.53   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASP-  62  22.11 +/- 1.61   0.002% *  0.1901% (0.49   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASP-  62  24.00 +/- 1.41   0.001% *  0.2683% (0.69   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   ASP-  62  24.17 +/- 1.00   0.001% *  0.2055% (0.53   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   ASP-  62  28.76 +/- 2.06   0.000% *  0.0684% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.07 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   2.66 +/- 0.40  99.993% * 99.6462% (0.69  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HB2   ASP-  62  13.58 +/- 0.98   0.006% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ASP-  62  23.45 +/- 1.64   0.000% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ASP-  62  22.27 +/- 1.32   0.001% *  0.0880% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2762 (7.60, 2.45, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 5.24, residual support = 42.4:
          HN    LEU   63 - HB3   ASP-  62   2.99 +/- 0.49  99.851% * 98.7121% (0.95   5.24  42.43) = 100.000%  kept
          HN    ILE   56 - HB3   ASP-  62  10.06 +/- 0.61   0.109% *  0.3502% (0.88   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   ASP-  62  14.44 +/- 2.85   0.038% *  0.2055% (0.52   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   ASP-  62  21.75 +/- 1.28   0.001% *  0.1901% (0.48   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   ASP-  62  23.68 +/- 1.26   0.001% *  0.2683% (0.67   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   ASP-  62  23.80 +/- 1.01   0.001% *  0.2055% (0.52   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   ASP-  62  28.54 +/- 1.79   0.000% *  0.0684% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2763 (7.86, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.978, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HB3   ASP-  62   2.41 +/- 0.32  99.988% * 99.7294% (0.98  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HB3   ASP-  62  13.29 +/- 0.73   0.004% *  0.0867% (0.85   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HB3   ASP-  62  12.19 +/- 0.83   0.008% *  0.0448% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ASP-  62  21.99 +/- 1.13   0.000% *  0.0980% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ASP-  62  23.30 +/- 1.45   0.000% *  0.0411% (0.40   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2764 (1.82, 3.50, 57.67 ppm):
    9 chemical-shift based assignments, quality = 0.986, support = 1.95, residual support = 5.39:
          QB    LYS+  66 - HA    LEU   63   2.68 +/- 0.44  96.679% * 47.3863% (1.00   1.90   5.52) =  96.709%  kept
          QB    LYS+  65 - HA    LEU   63   5.02 +/- 0.37   3.111% * 50.1063% (0.57   3.55   1.48) =   3.290%  kept
          HG    LEU  123 - HA    LEU   63   8.67 +/- 1.92   0.160% *  0.2826% (0.57   0.02   0.02) =   0.001%
          HB2   LEU   71 - HA    LEU   63  12.27 +/- 1.31   0.031% *  0.2626% (0.53   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU   63  14.91 +/- 1.61   0.008% *  0.4722% (0.95   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   63  16.00 +/- 1.83   0.005% *  0.4476% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   63  18.13 +/- 2.22   0.003% *  0.4169% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   63  18.75 +/- 1.73   0.002% *  0.3429% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU   63  18.73 +/- 0.93   0.001% *  0.2826% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.533, support = 1.6, residual support = 5.61:
          HN    LYS+  66 - HA    LEU   63   3.27 +/- 0.31  94.747% * 49.1241% (0.53   1.61   5.52) =  98.465%  kept
          QD    PHE   60 - HA    LEU   63   6.91 +/- 0.57   1.451% * 49.6221% (0.97   0.89  11.80) =   1.523%  kept
          QE    PHE   59 - HA    LEU   63   6.50 +/- 1.06   3.802% *  0.1569% (0.14   0.02   0.59) =   0.013%
          HN    LYS+  81 - HA    LEU   63  25.21 +/- 1.22   0.001% *  1.0969% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 7.47, residual support = 240.8:
      O   HN    LEU   63 - HA    LEU   63   2.80 +/- 0.04  99.974% * 99.6457% (1.00  10.0   7.47 240.83) = 100.000%  kept
          HN    LYS+ 111 - HA    LEU   63  15.86 +/- 2.92   0.014% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    LEU   63  13.22 +/- 0.49   0.009% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  20.08 +/- 1.72   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    LEU   63  21.93 +/- 2.00   0.001% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HA    LEU   63  23.52 +/- 1.40   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  25.60 +/- 2.42   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2767 (3.93, 1.34, 41.55 ppm):
    10 chemical-shift based assignments, quality = 0.487, support = 1.5, residual support = 11.8:
        T HA    PHE   60 - HB2   LEU   63   2.88 +/- 0.43  99.216% * 98.4768% (0.49 10.00   1.50  11.80) =  99.999%  kept
          HA    ALA  120 - HB2   LEU   63   9.39 +/- 2.21   0.269% *  0.1419% (0.53  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   LEU   63  10.77 +/- 1.16   0.065% *  0.2644% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   LEU   63   7.76 +/- 0.24   0.343% *  0.0472% (0.18  1.00   0.02   1.48) =   0.000%
          HA    LYS+ 121 - HB2   LEU   63  11.79 +/- 1.52   0.047% *  0.2490% (0.92  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU   63  13.38 +/- 1.37   0.017% *  0.2340% (0.87  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU   63  11.14 +/- 0.98   0.039% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU   63  18.13 +/- 0.76   0.002% *  0.2603% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU   63  18.58 +/- 1.73   0.002% *  0.2062% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU   63  22.46 +/- 1.13   0.001% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 7.34, residual support = 54.6:
          HN    ALA   64 - HB2   LEU   63   3.04 +/- 0.33 100.000% *100.0000% (0.57   7.34  54.64) = 100.000%  kept
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2769 (6.99, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 2.68, residual support = 17.9:
          QE    PHE   72 - HB2   LEU   63   4.11 +/- 1.27  99.808% * 99.3576% (0.99   2.68  17.92) =  99.999%  kept
          HN    ALA   47 - HB2   LEU   63  15.00 +/- 1.27   0.167% *  0.3351% (0.45   0.02   0.02) =   0.001%
          HD22  ASN   28 - HB2   LEU   63  20.15 +/- 1.47   0.025% *  0.3073% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 5 structures by 0.60 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.85, residual support = 240.8:
      O   HN    LEU   63 - HB2   LEU   63   2.14 +/- 0.11  99.988% * 99.6457% (1.00  10.0   7.85 240.83) = 100.000%  kept
          HN    ILE   56 - HB2   LEU   63  11.19 +/- 0.58   0.005% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   LEU   63  14.05 +/- 2.95   0.006% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  17.98 +/- 1.64   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LEU   63  20.07 +/- 1.94   0.000% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  21.00 +/- 1.39   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  24.78 +/- 2.30   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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   4.49 +/- 0.13  99.726% * 98.5496% (0.76   4.54  42.43) =  99.999%  kept
          HN    PHE   55 - HB2   LEU   63  13.54 +/- 0.60   0.138% *  0.5092% (0.90   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB2   LEU   63  14.30 +/- 0.66   0.099% *  0.2334% (0.41   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   LEU   63  18.10 +/- 1.71   0.029% *  0.4743% (0.84   0.02   0.02) =   0.000%
          HN    ALA   88 - HB2   LEU   63  22.02 +/- 1.26   0.008% *  0.2334% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.36 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.71, residual support = 54.6:
          HN    ALA   64 - HB3   LEU   63   3.61 +/- 0.51 100.000% *100.0000% (0.57   6.71  54.64) = 100.000%  kept
    Distance limit 4.01 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.18, residual support = 17.9:
        T HZ    PHE   72 - HB3   LEU   63   4.24 +/- 1.56  99.719% * 99.9822% (0.87 10.00   3.18  17.92) = 100.000%  kept
          HZ2   TRP   27 - HB3   LEU   63  15.88 +/- 1.92   0.281% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 7 structures by 0.84 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.5, residual support = 240.8:
      O   HN    LEU   63 - HB3   LEU   63   3.41 +/- 0.10  99.839% * 99.6457% (1.00  10.0   7.50 240.83) = 100.000%  kept
          HN    LYS+ 111 - HB3   LEU   63  14.89 +/- 2.99   0.112% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HB3   LEU   63  12.75 +/- 0.68   0.038% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  18.01 +/- 1.88   0.006% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   LEU   63  20.09 +/- 2.37   0.003% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LEU   63  21.60 +/- 1.69   0.002% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  24.20 +/- 2.73   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2775 (7.60, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 7.43, residual support = 240.8:
          HN    LEU   63 - HG    LEU   63   3.20 +/- 0.33  97.516% * 98.9237% (0.76   7.43 240.83) =  99.998%  kept
          QE    PHE   60 - HG    LEU   63   7.26 +/- 1.48   2.377% *  0.0690% (0.20   0.02  11.80) =   0.002%
          HN    ILE   56 - HG    LEU   63  11.88 +/- 0.77   0.045% *  0.2255% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG    LEU   63  14.10 +/- 2.80   0.054% *  0.0969% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG    LEU   63  18.43 +/- 2.03   0.004% *  0.2664% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG    LEU   63  20.75 +/- 2.77   0.002% *  0.3217% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HG    LEU   63  21.75 +/- 2.14   0.001% *  0.0969% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.14, support = 3.32, residual support = 11.7:
        T HA    PHE   60 - QD1   LEU   63   2.81 +/- 0.73  93.646% * 77.7819% (0.14 10.00   3.34  11.80) =  99.374%  kept
          HA    ALA  120 - QD1   LEU   63   7.32 +/- 2.22   3.582% * 12.5485% (0.95  1.00   0.46   0.02) =   0.613%  kept
          QB    SER  117 - QD1   LEU   63   7.75 +/- 1.30   0.817% *  0.3486% (0.61  1.00   0.02   0.02) =   0.004%
          HA    LYS+ 121 - QD1   LEU   63   8.92 +/- 1.66   0.313% *  0.5305% (0.92  1.00   0.02   0.02) =   0.002%
          HA    LYS+  65 - QD1   LEU   63   8.17 +/- 0.47   0.423% *  0.3254% (0.57  1.00   0.02   1.48) =   0.002%
        T HA    PHE   60 - QD1   LEU   73  10.57 +/- 1.18   0.139% *  0.7778% (0.14 10.00   0.02   1.20) =   0.001%
          HA    LYS+ 121 - QD1   LEU  104   9.59 +/- 4.40   0.491% *  0.1299% (0.23  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QD1   LEU   63  10.21 +/- 1.82   0.102% *  0.5547% (0.97  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QD1   LEU   73  11.55 +/- 1.16   0.059% *  0.5547% (0.97  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   63  10.86 +/- 0.77   0.063% *  0.3718% (0.65  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   73  12.19 +/- 1.41   0.044% *  0.3718% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU  104  12.12 +/- 3.98   0.080% *  0.1331% (0.23  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU   73  12.40 +/- 0.72   0.030% *  0.3254% (0.57  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU  104  10.98 +/- 2.03   0.087% *  0.0853% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   73  14.76 +/- 1.13   0.012% *  0.5735% (1.00  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   73  13.36 +/- 0.58   0.016% *  0.3718% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU   73  16.58 +/- 2.75   0.008% *  0.5437% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   63  15.47 +/- 1.61   0.007% *  0.5735% (1.00  1.00   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU  104  13.27 +/- 1.70   0.021% *  0.1904% (0.03 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU   73  15.67 +/- 1.65   0.011% *  0.3486% (0.61  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   63  15.09 +/- 0.75   0.008% *  0.4985% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD1   LEU   73  16.63 +/- 2.60   0.006% *  0.5305% (0.92  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  104  13.81 +/- 0.72   0.015% *  0.1358% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   73  19.24 +/- 0.67   0.002% *  0.4985% (0.87  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   63  18.11 +/- 1.63   0.003% *  0.3718% (0.65  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU  104  16.12 +/- 1.72   0.005% *  0.0796% (0.14  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  104  17.39 +/- 2.14   0.004% *  0.0910% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  104  17.73 +/- 1.34   0.003% *  0.0910% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  104  21.34 +/- 1.19   0.001% *  0.1404% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  104  24.04 +/- 1.23   0.000% *  0.1220% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2777 (6.37, 0.58, 26.34 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 2.1, residual support = 13.1:
        T HZ3   TRP   27 - QD1   LEU   73   4.41 +/- 1.94  89.113% * 98.4449% (0.49 10.00   2.10  13.15) =  99.975%  kept
          HZ    PHE   45 - QD1   LEU   73   8.03 +/- 0.87   7.295% *  0.1469% (0.73  1.00   0.02   0.02) =   0.012%
        T HZ3   TRP   27 - QD1   LEU   63  12.27 +/- 2.02   0.763% *  0.9844% (0.49 10.00   0.02   0.02) =   0.009%
          HZ    PHE   45 - QD1   LEU   63  11.79 +/- 2.07   1.786% *  0.1469% (0.73  1.00   0.02   0.02) =   0.003%
        T HZ3   TRP   27 - QD1   LEU  104  12.55 +/- 1.83   0.398% *  0.2410% (0.12 10.00   0.02   0.02) =   0.001%
          HZ    PHE   45 - QD1   LEU  104  12.46 +/- 1.06   0.646% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 11 structures by 1.33 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.707, support = 1.17, residual support = 6.56:
          QD    PHE   60 - QD1   LEU   63   4.12 +/- 0.99  23.972% * 42.5092% (0.87   1.49  11.80) =  50.259%  kept
          QE    PHE   59 - QD1   LEU   63   3.07 +/- 1.47  69.035% * 12.4341% (0.49   0.78   0.59) =  42.335%  kept
          HN    LYS+  66 - QD1   LEU   63   6.00 +/- 0.55   3.622% * 37.8143% (0.95   1.22   5.52) =   6.755%  kept
          HN    PHE   59 - QD1   LEU   63   5.80 +/- 0.71   2.924% *  4.4407% (0.18   0.77   0.59) =   0.640%  kept
          QD    PHE   60 - QD1   LEU   73   8.35 +/- 0.78   0.260% *  0.5702% (0.87   0.02   1.20) =   0.007%
          QE    PHE   59 - QD1   LEU   73  11.34 +/- 2.49   0.056% *  0.3200% (0.49   0.02   0.02) =   0.001%
          HN    LYS+  66 - QD1   LEU   73  12.51 +/- 0.72   0.014% *  0.6218% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   73  12.59 +/- 0.62   0.016% *  0.3458% (0.53   0.02   0.02) =   0.000%
          QD    PHE   60 - QD1   LEU  104  12.26 +/- 1.89   0.036% *  0.1396% (0.21   0.02   0.02) =   0.000%
          QE    PHE   59 - QD1   LEU  104  11.14 +/- 1.93   0.041% *  0.0783% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU  104  14.25 +/- 1.79   0.011% *  0.1522% (0.23   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU   73  14.40 +/- 0.99   0.007% *  0.1151% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   63  18.71 +/- 1.77   0.001% *  0.3458% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU  104  16.59 +/- 1.59   0.003% *  0.0282% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  104  20.98 +/- 1.08   0.001% *  0.0847% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 1 structures by 0.11 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.762, support = 6.35, residual support = 234.4:
          HN    LEU   63 - QD1   LEU   63   3.34 +/- 0.49  81.193% * 72.5411% (0.76   6.49 240.83) =  97.291%  kept
          HD21  ASN   28 - QD1   LEU   73   6.50 +/- 1.50   5.457% * 20.2908% (0.92   1.50   0.62) =   1.829%  kept
          QE    PHE   60 - QD1   LEU   63   5.51 +/- 1.01  10.198% *  5.1886% (0.20   1.79  11.80) =   0.874%  kept
          HZ2   TRP   87 - QD1   LEU   73   7.81 +/- 1.23   0.924% *  0.2237% (0.76   0.02   0.02) =   0.003%
          QE    PHE   60 - QD1   LEU   73   7.28 +/- 1.20   1.240% *  0.0579% (0.20   0.02   1.20) =   0.001%
          HN    ILE   56 - QD1   LEU   63   9.14 +/- 0.59   0.233% *  0.1894% (0.65   0.02   0.02) =   0.001%
          HN    LYS+ 111 - QD1   LEU   63  10.60 +/- 2.32   0.446% *  0.0814% (0.28   0.02   0.02) =   0.001%
          HN    LEU   63 - QD1   LEU   73  12.02 +/- 0.97   0.049% *  0.2237% (0.76   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU   63  14.27 +/- 1.90   0.027% *  0.2237% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   73  11.61 +/- 0.47   0.057% *  0.0814% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU   63  16.54 +/- 2.28   0.011% *  0.2702% (0.92   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU  104  12.22 +/- 1.45   0.046% *  0.0548% (0.19   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU   73  15.96 +/- 0.89   0.008% *  0.1894% (0.65   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU  104  14.02 +/- 1.76   0.021% *  0.0548% (0.19   0.02   0.02) =   0.000%
          QE    PHE   60 - QD1   LEU  104  12.29 +/- 2.16   0.050% *  0.0142% (0.05   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   63  16.97 +/- 1.82   0.008% *  0.0814% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU  104  15.54 +/- 1.16   0.010% *  0.0661% (0.23   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   73  17.93 +/- 2.27   0.005% *  0.0814% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  16.21 +/- 1.87   0.008% *  0.0199% (0.07   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU  104  18.80 +/- 1.28   0.003% *  0.0464% (0.16   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  18.07 +/- 1.16   0.004% *  0.0199% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2782 (6.47, 2.84, 53.98 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.22, residual support = 20.8:
      O   HN    ALA   64 - HA    ALA   64   2.80 +/- 0.05 100.000% *100.0000% (0.97  10.0   4.22  20.76) = 100.000%  kept
    Distance limit 3.48 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 = 0.716, support = 2.87, residual support = 37.8:
        T HZ    PHE   72 - HA    ALA   64   2.95 +/- 0.48  60.627% * 39.4733% (0.57 10.00   2.63  37.84) =  50.128%  kept
        T QD    PHE   72 - HA    ALA   64   3.22 +/- 0.32  39.367% * 60.4788% (0.87 10.00   3.11  37.84) =  49.872%  kept
          QE    PHE   45 - HA    ALA   64  13.47 +/- 0.94   0.006% *  0.0479% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2785 (7.34, 2.84, 53.98 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.27, residual support = 3.95:
          HN    LEU   67 - HA    ALA   64   3.19 +/- 0.34  99.059% * 87.1406% (0.87   1.27   3.96) =  99.917%  kept
          QE    PHE   95 - HA    ALA   64   8.85 +/- 2.22   0.901% *  7.9353% (0.98   0.10   0.02) =   0.083%
          HN    THR   23 - HA    ALA   64  16.74 +/- 1.27   0.009% *  1.5715% (0.99   0.02   0.02) =   0.000%
          HE3   TRP   27 - HA    ALA   64  14.83 +/- 0.73   0.014% *  0.8977% (0.57   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    ALA   64  16.06 +/- 0.92   0.008% *  1.0257% (0.65   0.02   0.02) =   0.000%
          HD2   HIS   22 - HA    ALA   64  16.35 +/- 1.14   0.008% *  0.5951% (0.38   0.02   0.02) =   0.000%
          HD1   TRP   49 - HA    ALA   64  22.15 +/- 1.27   0.001% *  0.8342% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 0.805, support = 2.35, residual support = 7.97:
          QG2   VAL   18 - QB    ALA   64   3.33 +/- 1.25  78.595% * 55.2911% (0.84   2.35   8.53) =  93.408%  kept
          QD2   LEU   73 - QB    ALA   64   5.91 +/- 0.28   5.482% * 34.1811% (0.38   3.23   0.13) =   4.028%  kept
          QD1   ILE   19 - QB    ALA   64   5.55 +/- 1.29  13.990% *  8.4731% (0.38   0.80   0.02) =   2.548%  kept
          QG1   VAL   43 - QB    ALA   64   8.45 +/- 0.62   0.593% *  0.5521% (0.98   0.02   0.02) =   0.007%
          QG2   THR   46 - QB    ALA   64   8.95 +/- 0.88   0.434% *  0.4090% (0.73   0.02   0.02) =   0.004%
          QG1   VAL   41 - QB    ALA   64   9.68 +/- 0.54   0.303% *  0.5582% (0.99   0.02   0.02) =   0.004%
          QD1   ILE   56 - QB    ALA   64   9.03 +/- 0.62   0.499% *  0.0986% (0.18   0.02   0.02) =   0.001%
          HG    LEU   31 - QB    ALA   64  13.31 +/- 0.74   0.038% *  0.2963% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  104 - QB    ALA   64  12.85 +/- 1.03   0.066% *  0.1404% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 5 structures by 0.47 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.89, support = 1.22, residual support = 6.33:
          QB    ALA   61 - QB    ALA   64   3.89 +/- 0.34  64.370% * 16.3100% (0.92   1.13   7.29) =  69.619%  kept
          HB3   LEU   67 - QB    ALA   64   5.58 +/- 0.76   8.541% * 19.5814% (0.99   1.27   3.96) =  11.090%  kept
          QG    LYS+  66 - QB    ALA   64   6.39 +/- 0.53   4.074% * 29.8546% (0.98   1.96   7.76) =   8.066%  kept
          HG12  ILE   19 - QB    ALA   64   6.37 +/- 1.46   9.380% *  8.0779% (0.65   0.80   0.02) =   5.024%  kept
          HG    LEU   67 - QB    ALA   64   5.74 +/- 1.14  11.264% *  6.3821% (0.28   1.47   3.96) =   4.767%  kept
          HG    LEU   73 - QB    ALA   64   7.72 +/- 0.71   1.144% * 18.7319% (0.87   1.39   0.13) =   1.421%  kept
          QB    ALA  110 - QB    ALA   64  13.01 +/- 2.51   0.505% *  0.2262% (0.73   0.02   0.02) =   0.008%
          HG    LEU   40 - QB    ALA   64   9.40 +/- 0.96   0.414% *  0.1169% (0.38   0.02   0.02) =   0.003%
          HB3   LEU  115 - QB    ALA   64  10.65 +/- 1.09   0.183% *  0.1169% (0.38   0.02   0.02) =   0.001%
          HG    LEU   80 - QB    ALA   64  14.55 +/- 0.72   0.024% *  0.2381% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   64  13.38 +/- 1.90   0.072% *  0.0481% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   64  14.67 +/- 0.69   0.022% *  0.0777% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QB    ALA   64  18.19 +/- 1.41   0.007% *  0.2381% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2788 (1.44, 2.84, 53.98 ppm):
    13 chemical-shift based assignments, quality = 0.875, support = 1.7, residual support = 4.51:
          HB3   LEU   67 - HA    ALA   64   4.50 +/- 1.04  47.648% * 37.0369% (0.99   1.71   3.96) =  69.293%  kept
          HG    LEU   67 - HA    ALA   64   4.83 +/- 1.41  35.037% * 11.4919% (0.28   1.89   3.96) =  15.810%  kept
          QG    LYS+  66 - HA    ALA   64   6.44 +/- 0.62   8.753% * 34.2129% (0.98   1.60   7.76) =  11.759%  kept
          QB    ALA   61 - HA    ALA   64   6.39 +/- 0.25   5.231% * 15.1094% (0.92   0.75   7.29) =   3.104%  kept
          HG12  ILE   19 - HA    ALA   64   8.97 +/- 2.05   1.855% *  0.2824% (0.65   0.02   0.02) =   0.021%
          HG    LEU   73 - HA    ALA   64   9.76 +/- 0.91   0.514% *  0.3786% (0.87   0.02   0.13) =   0.008%
          HG    LEU   40 - HA    ALA   64   9.86 +/- 1.17   0.513% *  0.1638% (0.38   0.02   0.02) =   0.003%
          QB    ALA  110 - HA    ALA   64  16.03 +/- 2.83   0.114% *  0.3169% (0.73   0.02   0.02) =   0.001%
          HB3   LEU  115 - HA    ALA   64  12.82 +/- 1.46   0.141% *  0.1638% (0.38   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HA    ALA   64  14.58 +/- 2.39   0.172% *  0.0673% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   64  18.72 +/- 0.98   0.008% *  0.3336% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   64  20.78 +/- 1.78   0.005% *  0.3336% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   64  18.92 +/- 0.86   0.008% *  0.1088% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 2.48, residual support = 37.8:
        T HB3   PHE   72 - QB    ALA   64   2.85 +/- 0.42  96.761% * 99.3598% (0.76 10.00   2.48  37.84) =  99.996%  kept
          QG    GLU-  15 - QB    ALA   64   6.71 +/- 1.13   1.387% *  0.1230% (0.95  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  44 - QB    ALA   64   6.43 +/- 0.83   1.310% *  0.1128% (0.87  1.00   0.02   0.02) =   0.002%
          QG    GLU-  14 - QB    ALA   64   8.42 +/- 1.41   0.333% *  0.1086% (0.84  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QB    ALA   64   8.88 +/- 1.14   0.183% *  0.0443% (0.34  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    ALA   64  14.38 +/- 2.02   0.013% *  0.1166% (0.90  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QB    ALA   64  17.62 +/- 0.75   0.002% *  0.0893% (0.69  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    ALA   64  16.07 +/- 1.46   0.005% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    ALA   64  16.32 +/- 1.33   0.004% *  0.0228% (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 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 2.5, residual support = 7.29:
        T HA    ALA   61 - QB    ALA   64   2.63 +/- 0.45  99.120% * 99.8142% (1.00 10.00   2.50   7.29) =  99.999%  kept
          HD2   PRO   68 - QB    ALA   64   6.78 +/- 0.83   0.783% *  0.0923% (0.92  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QB    ALA   64   9.40 +/- 0.44   0.062% *  0.0487% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   64  11.01 +/- 0.52   0.028% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   64  13.99 +/- 1.05   0.008% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2791 (3.99, 0.40, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 1.84, residual support = 8.53:
          HA    VAL   18 - QB    ALA   64   3.40 +/- 0.80  96.689% * 92.8641% (0.90   1.84   8.53) =  99.982%  kept
          HA    VAL   70 - QB    ALA   64   7.42 +/- 0.63   2.953% *  0.4639% (0.41   0.02   0.02) =   0.015%
          HA    GLN  116 - QB    ALA   64  10.97 +/- 1.38   0.240% *  0.4639% (0.41   0.02   0.02) =   0.001%
          HA    LYS+  33 - QB    ALA   64  14.18 +/- 1.05   0.033% *  0.8194% (0.73   0.02   0.02) =   0.000%
          HA    SER   48 - QB    ALA   64  15.48 +/- 1.22   0.020% *  1.0674% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   64  15.49 +/- 0.94   0.019% *  0.9788% (0.87   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   64  15.96 +/- 0.80   0.015% *  0.8194% (0.73   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA   64  15.26 +/- 0.66   0.021% *  0.5937% (0.53   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    ALA   64  19.48 +/- 1.03   0.005% *  1.0674% (0.95   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    ALA   64  20.15 +/- 0.69   0.004% *  0.8623% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 1 structures by 0.24 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 1.22, residual support = 2.43:
        T HA    GLN   17 - QB    ALA   64   3.14 +/- 0.77  98.598% * 94.1384% (0.49 10.00   1.22   2.43) =  99.961%  kept
        T HA    VAL   42 - QB    ALA   64   8.12 +/- 0.81   1.133% *  3.1173% (0.98 10.00   0.02   0.02) =   0.038%
        T HA    PHE   55 - QB    ALA   64  13.28 +/- 0.94   0.036% *  2.1846% (0.69 10.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QB    ALA   64  15.00 +/- 3.38   0.113% *  0.1194% (0.38  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    ALA   64  11.30 +/- 0.76   0.097% *  0.1307% (0.41  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   64  14.73 +/- 0.86   0.018% *  0.1548% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   64  18.36 +/- 0.90   0.005% *  0.1548% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.25, residual support = 8.53:
          HN    VAL   18 - QB    ALA   64   3.47 +/- 0.82  99.830% * 99.5979% (1.00   2.25   8.53) = 100.000%  kept
          HN    SER   13 - QB    ALA   64  12.17 +/- 1.27   0.141% *  0.2467% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    ALA   64  14.82 +/- 0.89   0.028% *  0.1554% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 2 structures by 0.18 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.863, support = 4.92, residual support = 37.8:
        T QD    PHE   72 - QB    ALA   64   2.46 +/- 0.33  91.661% * 86.1274% (0.87 10.00   4.92  37.84) =  98.566%  kept
          HZ    PHE   72 - QB    ALA   64   3.92 +/- 0.53   8.320% * 13.8044% (0.57  1.00   4.91  37.84) =   1.434%  kept
          QE    PHE   45 - QB    ALA   64  10.72 +/- 0.74   0.020% *  0.0682% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2796 (6.48, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.22, residual support = 20.8:
      O   HN    ALA   64 - QB    ALA   64   2.04 +/- 0.07 100.000% *100.0000% (0.57  10.0   4.22  20.76) = 100.000%  kept
    Distance limit 3.05 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 = 164.3:
      O   HN    LYS+  65 - HA    LYS+  65   2.83 +/- 0.04  99.995% * 99.9887% (0.71  10.0   6.09 164.30) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  15.02 +/- 1.13   0.005% *  0.0113% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.857, support = 0.02, residual support = 0.02:
          HN    GLY   16 - HA    LYS+  65   5.80 +/- 1.46  82.766% * 34.8898% (0.87   0.02   0.02) =  97.976%  kept
          HN    SER  117 - HA    LYS+ 121   8.13 +/- 0.53  16.953% *  3.1809% (0.08   0.02   0.02) =   1.830%  kept
          HN    SER  117 - HA    LYS+  65  17.20 +/- 1.08   0.178% * 28.1870% (0.71   0.02   0.02) =   0.171%
          HN    SER   82 - HA    LYS+  65  26.99 +/- 0.95   0.014% * 26.7825% (0.67   0.02   0.02) =   0.012%
          HN    GLY   16 - HA    LYS+ 121  19.76 +/- 2.18   0.082% *  3.9373% (0.10   0.02   0.02) =   0.011%
          HN    SER   82 - HA    LYS+ 121  29.94 +/- 2.30   0.007% *  3.0224% (0.08   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 16 structures by 2.20 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   2.78 +/- 0.20 100.000% *100.0000% (0.31   4.74  28.04) = 100.000%  kept
    Distance limit 3.26 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 = 4.01, residual support = 37.8:
          QE    PHE   72 - HA    ALA   64   2.63 +/- 0.37  99.999% * 99.3352% (0.65   4.01  37.84) = 100.000%  kept
          HD22  ASN   28 - HA    ALA   64  18.85 +/- 0.62   0.001% *  0.6648% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2801 (4.21, 1.80, 33.13 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 1.77, residual support = 3.81:
          HA    ASP-  62 - QB    LYS+  65   2.60 +/- 0.63  99.991% * 97.8029% (0.80   1.77   3.81) = 100.000%  kept
          HA    SER  117 - QB    LYS+  65  14.50 +/- 1.13   0.007% *  0.3076% (0.22   0.02   0.02) =   0.000%
          HB    THR   26 - QB    LYS+  65  18.34 +/- 1.07   0.002% *  0.7823% (0.57   0.02   0.02) =   0.000%
          HA    SER   82 - QB    LYS+  65  26.28 +/- 0.72   0.000% *  0.8939% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  25 - QB    LYS+  65  22.65 +/- 0.89   0.000% *  0.2132% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 6.58, residual support = 164.3:
      O   HN    LYS+  65 - QB    LYS+  65   2.22 +/- 0.13 100.000% *100.0000% (0.76  10.0   6.58 164.30) = 100.000%  kept
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2803 (7.29, 1.80, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.87, residual support = 25.1:
          HN    LYS+  66 - QB    LYS+  65   3.08 +/- 0.16  99.268% * 98.6927% (0.53   5.87  25.13) =  99.996%  kept
          QD    PHE   60 - QB    LYS+  65   7.58 +/- 0.61   0.539% *  0.6165% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QB    LYS+  65   9.21 +/- 0.81   0.192% *  0.0865% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  65  23.70 +/- 0.68   0.001% *  0.6043% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.4, residual support = 164.3:
          HN    LYS+  65 - HG2   LYS+  65   3.09 +/- 0.61 100.000% *100.0000% (0.31   5.40 164.30) = 100.000%  kept
    Distance limit 3.80 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 = 0.858, support = 5.24, residual support = 159.2:
      O T HA    LYS+  65 - HG3   LYS+  65   3.22 +/- 0.59  90.102% * 57.2471% (0.87  10.0 10.00   5.27 164.30) =  96.642%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.96 +/- 0.89   4.571% * 39.1477% (0.59   1.0 10.00   4.15  11.62) =   3.353%  kept
          HA2   GLY   16 - HG3   LYS+  65   6.58 +/- 1.57   4.824% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.005%
        T HA    GLN   32 - HG3   LYS+ 102  14.68 +/- 2.24   0.016% *  0.3689% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+  33  17.34 +/- 1.52   0.006% *  0.4944% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 106  12.95 +/- 2.96   0.050% *  0.0375% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106   9.35 +/- 1.15   0.297% *  0.0049% (0.07   1.0  1.00   0.02   0.72) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  19.23 +/- 1.73   0.003% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+  33  15.67 +/- 2.28   0.016% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 106  20.48 +/- 1.66   0.003% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  14.37 +/- 1.35   0.016% *  0.0296% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  65  17.50 +/- 1.38   0.005% *  0.0893% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 102  19.04 +/- 4.32   0.006% *  0.0727% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  19.92 +/- 1.30   0.002% *  0.1903% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  24.22 +/- 1.08   0.001% *  0.4533% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  15.06 +/- 2.21   0.016% *  0.0179% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 102  25.26 +/- 1.27   0.001% *  0.4659% (0.71   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 102  17.65 +/- 2.58   0.006% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  16.31 +/- 1.79   0.009% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  15.11 +/- 2.21   0.014% *  0.0124% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  20.29 +/- 2.10   0.003% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  18.54 +/- 3.01   0.005% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  33  23.60 +/- 3.51   0.001% *  0.0771% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  21.17 +/- 1.92   0.002% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  21.06 +/- 2.70   0.002% *  0.0271% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  17.56 +/- 1.28   0.005% *  0.0094% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  65  20.59 +/- 2.57   0.003% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  22.03 +/- 3.73   0.002% *  0.0241% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  65  19.57 +/- 1.74   0.003% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  22.73 +/- 1.74   0.001% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  33  23.81 +/- 3.89   0.001% *  0.0256% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  24.78 +/- 1.81   0.001% *  0.0369% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 102  26.09 +/- 2.12   0.001% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  65  26.93 +/- 1.44   0.000% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  28.03 +/- 1.73   0.000% *  0.0494% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  23.84 +/- 2.24   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  20.14 +/- 1.65   0.002% *  0.0069% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  21.36 +/- 1.49   0.002% *  0.0100% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  21.80 +/- 1.53   0.001% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  25.63 +/- 1.91   0.001% *  0.0234% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  28.02 +/- 1.89   0.000% *  0.0466% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  28.93 +/- 1.37   0.000% *  0.0427% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  25.94 +/- 2.11   0.001% *  0.0134% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  28.55 +/- 2.09   0.000% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.336, support = 2.73, residual support = 21.4:
          HN    ASP- 105 - HG3   LYS+ 106   4.06 +/- 0.28  98.911% * 91.2915% (0.34   2.73  21.45) =  99.986%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.57 +/- 1.01   0.879% *  1.2971% (0.65   0.02   0.02) =   0.013%
          HN    ALA   88 - HG3   LYS+ 106  13.76 +/- 2.12   0.102% *  0.4730% (0.24   0.02   0.02) =   0.001%
          HN    ALA   88 - HG3   LYS+ 102  16.61 +/- 2.97   0.040% *  0.9171% (0.46   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   LYS+  33  17.99 +/- 1.09   0.014% *  1.3764% (0.69   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   LYS+  65  19.83 +/- 1.35   0.008% *  1.5938% (0.80   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  65  16.69 +/- 1.95   0.026% *  0.3071% (0.15   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  33  22.79 +/- 1.78   0.004% *  0.9732% (0.49   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 106  18.77 +/- 1.29   0.013% *  0.1289% (0.06   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  65  27.83 +/- 1.45   0.001% *  1.1269% (0.57   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  33  27.91 +/- 1.42   0.001% *  0.2652% (0.13   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 102  28.22 +/- 1.44   0.001% *  0.2499% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.04, residual support = 113.3:
      O   HN    LYS+  66 - HA    LYS+  66   2.90 +/- 0.03  99.913% * 99.6126% (0.53  10.0   5.04 113.34) = 100.000%  kept
          QD    PHE   60 - HA    LYS+  66  10.62 +/- 0.57   0.043% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - HA    LYS+  66  10.88 +/- 1.03   0.044% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+  66  28.94 +/- 0.84   0.000% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2808 (7.29, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.02, residual support = 113.3:
      O   HN    LYS+  66 - QB    LYS+  66   2.23 +/- 0.10  99.890% * 99.6126% (0.53  10.0   5.02 113.34) = 100.000%  kept
          QD    PHE   60 - QB    LYS+  66   8.36 +/- 0.51   0.040% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - QB    LYS+  66   7.85 +/- 0.92   0.070% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  66  24.88 +/- 0.99   0.000% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.522, support = 4.51, residual support = 112.4:
          HN    LYS+  66 - QG    LYS+  66   3.23 +/- 0.52  84.327% * 93.3503% (0.53   4.53 113.34) =  99.078%  kept
          HN    LYS+  66 - HG    LEU   67   5.28 +/- 1.14  14.857% *  4.9215% (0.04   3.10  11.09) =   0.920%  kept
          QD    PHE   60 - QG    LYS+  66   9.27 +/- 0.89   0.150% *  0.7568% (0.97   0.02   0.02) =   0.001%
          QE    PHE   59 - QG    LYS+  66   8.56 +/- 1.24   0.332% *  0.1061% (0.14   0.02   0.02) =   0.000%
          QD    PHE   60 - HG    LEU   67   9.65 +/- 1.60   0.224% *  0.0583% (0.07   0.02   0.02) =   0.000%
          QE    PHE   59 - HG    LEU   67  10.76 +/- 1.61   0.109% *  0.0082% (0.01   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG    LYS+  66  25.90 +/- 1.37   0.000% *  0.7418% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG    LEU   67  26.33 +/- 1.64   0.000% *  0.0571% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 4.71, residual support = 113.3:
          HN    LYS+  66 - QD    LYS+  66   4.01 +/- 0.48  94.693% * 98.1274% (0.53   4.71 113.34) =  99.994%  kept
          QD    PHE   60 - QD    LYS+  66  10.08 +/- 0.96   0.418% *  0.7637% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QD    LYS+  66   9.26 +/- 1.64   1.450% *  0.1071% (0.14   0.02   0.02) =   0.002%
          QE    PHE   59 - HD2   LYS+ 121   7.87 +/- 1.26   2.726% *  0.0133% (0.02   0.02   0.02) =   0.000%
          HN    LYS+  66 - HD2   LYS+ 121  13.79 +/- 2.73   0.531% *  0.0518% (0.07   0.02   0.02) =   0.000%
          QD    PHE   60 - HD2   LYS+ 121  12.57 +/- 1.91   0.181% *  0.0950% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD    LYS+  66  26.79 +/- 1.26   0.001% *  0.7486% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HD2   LYS+ 121  27.72 +/- 2.44   0.001% *  0.0931% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.476, support = 3.4, residual support = 62.3:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  90.225% * 46.3097% (0.47  10.0 10.00   3.19  62.34) =  89.273%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.61 +/- 0.25   9.658% * 51.9824% (0.53  10.0  1.00   5.19  62.34) =  10.727%  kept
        T HG    LEU   40 - HB2   LEU   67   9.43 +/- 2.30   0.014% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB2   LEU   67   6.05 +/- 0.71   0.085% *  0.0598% (0.61   1.0  1.00   0.02  11.09) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  14.35 +/- 2.16   0.001% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   LEU   67   8.64 +/- 0.80   0.007% *  0.0348% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.44 +/- 2.38   0.001% *  0.1990% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   LEU   67  11.35 +/- 1.58   0.002% *  0.0691% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  11.27 +/- 2.52   0.004% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  10.79 +/- 2.15   0.003% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  17.57 +/- 2.83   0.001% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  20.58 +/- 2.62   0.000% *  0.0714% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  21.02 +/- 1.54   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 = 3.25, residual support = 62.3:
      O T QD1   LEU   67 - HB2   LEU   67   2.34 +/- 0.25  99.796% * 98.6993% (0.70  10.0 10.00   3.25  62.34) =  99.999%  kept
        T QD2   LEU   40 - HB2   LEU   67   9.11 +/- 1.92   0.073% *  1.0025% (0.71   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB2   LEU   67   7.55 +/- 0.85   0.125% *  0.0316% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   67  14.92 +/- 2.04   0.002% *  0.0917% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   67  14.89 +/- 1.79   0.002% *  0.0819% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LEU   67  16.10 +/- 1.43   0.001% *  0.0703% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LEU   67  15.81 +/- 1.72   0.001% *  0.0228% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 62.3:
          HA    LEU   67 - QD2   LEU   67   2.68 +/- 0.60  99.998% * 98.8214% (0.53   2.76  62.34) = 100.000%  kept
          HA    ASP-  76 - QD2   LEU   67  17.84 +/- 1.32   0.002% *  1.1786% (0.87   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 3.14, residual support = 62.3:
      O   HG    LEU   67 - QD1   LEU   67   2.11 +/- 0.02  98.095% * 96.8242% (0.73  10.0  1.00   3.14  62.34) =  99.988%  kept
        T HG    LEU   40 - QD1   LEU   67   7.76 +/- 2.47   1.227% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.010%
          HB3   LEU   40 - QD1   LEU   67   7.67 +/- 2.11   0.322% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD1   LEU   67   9.23 +/- 2.86   0.268% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD1   LEU   67  11.71 +/- 2.60   0.017% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD1   LEU   67   9.37 +/- 2.00   0.045% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD1   LEU   67  11.28 +/- 1.77   0.007% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD1   LEU   67  11.65 +/- 2.63   0.013% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   67  11.69 +/- 1.81   0.006% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  16.72 +/- 2.78   0.001% *  0.0332% (0.25   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 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.309, support = 3.25, residual support = 62.3:
      O T HB2   LEU   67 - QD1   LEU   67   2.34 +/- 0.25  93.915% * 98.3333% (0.31  10.0 10.00   3.25  62.34) =  99.993%  kept
          QB    GLU-  15 - QD1   LEU   67   7.10 +/- 2.67   5.562% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.005%
          HG2   PRO   68 - QD1   LEU   67   6.82 +/- 0.68   0.268% *  0.2941% (0.92   1.0  1.00   0.02  21.74) =   0.001%
          HB    ILE   19 - QD1   LEU   67   9.77 +/- 2.39   0.090% *  0.2764% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   LEU   67   8.82 +/- 2.19   0.143% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   LEU   67  12.40 +/- 2.62   0.011% *  0.2188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   LEU   67  13.23 +/- 2.73   0.007% *  0.2551% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   LEU   67  13.35 +/- 1.15   0.003% *  0.2313% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   LEU   67  16.89 +/- 3.03   0.001% *  0.0709% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   LEU   67  19.11 +/- 2.15   0.000% *  0.1428% (0.45   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 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.17, residual support = 62.3:
      O   QD2   LEU   67 - HG    LEU   67   2.11 +/- 0.02  91.644% * 99.2738% (0.87  10.0  1.00   3.17  62.34) =  99.995%  kept
        T QD1   LEU   40 - HG    LEU   67   7.41 +/- 1.94   0.559% *  0.6942% (0.61   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   67 - QG    LYS+  66   5.22 +/- 1.58   5.899% *  0.0076% (0.07   1.0  1.00   0.02  11.09) =   0.000%
          QG2   ILE  119 - HG    LEU   67   8.35 +/- 2.86   0.489% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QG    LYS+  66   5.66 +/- 1.68   1.357% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   9.40 +/- 1.52   0.052% *  0.0053% (0.05   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 2817 (0.63, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.515, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - QD1   LEU   67   9.73 +/- 2.70  80.505% * 12.0360% (0.22   0.02   0.02) =  53.127%  kept
          QG2   ILE   89 - QD1   LEU   67  14.56 +/- 1.38   9.606% * 52.9912% (0.98   0.02   0.02) =  27.909%  kept
          QG1   VAL   83 - QD1   LEU   67  14.78 +/- 1.60   9.890% * 34.9728% (0.65   0.02   0.02) =  18.964%  kept
    Distance limit 3.09 A violated in 20 structures by 6.21 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.874, support = 3.54, residual support = 34.5:
        T HZ    PHE   72 - QD1   LEU   67   3.61 +/- 0.91  61.743% * 75.7718% (0.97 10.00   3.94  34.55) =  83.487%  kept
        T QD    PHE   72 - QD1   LEU   67   4.10 +/- 1.27  38.223% * 24.2087% (0.41 10.00   1.50  34.55) =  16.513%  kept
          QE    PHE   45 - QD1   LEU   67  12.39 +/- 1.64   0.034% *  0.0196% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.13, residual support = 34.5:
          QE    PHE   72 - QD1   LEU   67   3.07 +/- 0.74  99.367% * 99.2757% (0.80   4.13  34.55) =  99.999%  kept
          QD    PHE   95 - QD1   LEU   67   8.81 +/- 2.12   0.625% *  0.1855% (0.31   0.02   0.02) =   0.001%
          HN    ALA   47 - QD1   LEU   67  16.46 +/- 1.10   0.008% *  0.5389% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2820 (4.10, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.552, support = 0.0197, residual support = 0.0197:
          HA    ALA  124 - HG    LEU   67  12.64 +/- 4.16  22.277% *  6.6623% (0.84  1.00   0.02   0.02) =  40.545%  kept
        T HA    LEU  115 - HG    LEU   67  14.62 +/- 2.72   7.537% * 15.7849% (0.20 10.00   0.02   0.02) =  32.502%  kept
        T HA    ARG+  54 - HG    LEU   67  19.51 +/- 1.68   1.014% * 57.9196% (0.73 10.00   0.02   0.02) =  16.042%  kept
          HA    ALA  124 - QG    LYS+  66  10.45 +/- 2.67  42.420% *  0.5129% (0.06  1.00   0.02   0.02) =   5.943%  kept
          HA    GLU-  36 - HG    LEU   67  18.89 +/- 2.47   1.442% *  7.5452% (0.95  1.00   0.02   0.02) =   2.972%  kept
          HA    LEU  115 - QG    LYS+  66  11.90 +/- 1.84  19.717% *  0.1215% (0.02  1.00   0.02   0.02) =   0.655%  kept
          HA    ASN   28 - HG    LEU   67  19.74 +/- 1.93   0.961% *  1.7758% (0.22  1.00   0.02   0.02) =   0.466%
          HA    ARG+  54 - QG    LYS+  66  15.74 +/- 1.25   3.497% *  0.4459% (0.06  1.00   0.02   0.02) =   0.426%
          HA    LYS+  81 - HG    LEU   67  26.43 +/- 1.74   0.158% *  7.9057% (0.99  1.00   0.02   0.02) =   0.341%
          HA    GLU-  36 - QG    LYS+  66  21.81 +/- 1.56   0.412% *  0.5808% (0.07  1.00   0.02   0.02) =   0.065%
          HA    LYS+  81 - QG    LYS+  66  25.72 +/- 1.57   0.159% *  0.6086% (0.08  1.00   0.02   0.02) =   0.026%
          HA    ASN   28 - QG    LYS+  66  21.84 +/- 1.57   0.406% *  0.1367% (0.02  1.00   0.02   0.02) =   0.015%
    Distance limit 3.88 A violated in 20 structures by 4.51 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 3.87, residual support = 62.3:
      O   HA    LEU   67 - HG    LEU   67   3.27 +/- 0.56  92.694% * 99.3233% (0.15  10.0   3.87  62.34) =  99.999%  kept
          HA    LEU   67 - QG    LYS+  66   5.63 +/- 0.85   7.301% *  0.0076% (0.01   1.0   0.02  11.09) =   0.001%
          HA    ASP-  76 - HG    LEU   67  20.41 +/- 1.43   0.002% *  0.6212% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - QG    LYS+  66  19.78 +/- 1.28   0.003% *  0.0478% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2822 (7.31, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.312, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HG    LEU   67  11.53 +/- 2.96  17.190% * 11.5851% (0.38   0.02   0.02) =  46.121%  kept
          QD    PHE   60 - HG    LEU   67   9.65 +/- 1.60  29.145% *  5.4059% (0.18   0.02   0.02) =  36.488%  kept
          HE3   TRP   27 - HG    LEU   67  17.57 +/- 1.70   0.852% * 26.7757% (0.87   0.02   0.02) =   5.281%  kept
          QE    PHE   95 - QG    LYS+  66  10.51 +/- 1.90  17.874% *  0.8918% (0.03   0.02   0.02) =   3.692%  kept
          QD    PHE   60 - QG    LYS+  66   9.27 +/- 0.89  30.920% *  0.4162% (0.01   0.02   0.02) =   2.980%  kept
          QD    PHE   55 - HG    LEU   67  18.58 +/- 1.92   0.513% * 24.7171% (0.80   0.02   0.02) =   2.936%  kept
          HN    THR   23 - HG    LEU   67  20.06 +/- 1.97   0.416% * 10.5293% (0.34   0.02   0.02) =   1.014%  kept
          QD    PHE   55 - QG    LYS+  66  14.39 +/- 1.19   2.257% *  1.9027% (0.06   0.02   0.02) =   0.995%  kept
          HN    LYS+  81 - HG    LEU   67  26.33 +/- 1.64   0.068% * 13.8391% (0.45   0.02   0.02) =   0.218%
          HE3   TRP   27 - QG    LYS+  66  19.07 +/- 1.40   0.441% *  2.0612% (0.07   0.02   0.02) =   0.211%
          HN    THR   23 - QG    LYS+  66  20.82 +/- 1.35   0.257% *  0.8106% (0.03   0.02   0.02) =   0.048%
          HN    LYS+  81 - QG    LYS+  66  25.90 +/- 1.37   0.068% *  1.0653% (0.03   0.02   0.02) =   0.017%
    Distance limit 3.68 A violated in 20 structures by 3.81 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.292, support = 3.19, residual support = 62.3:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  99.877% * 95.9469% (0.29  10.0 10.00   3.19  62.34) = 100.000%  kept
          HG2   PRO   68 - HB3   LEU   67   6.05 +/- 0.73   0.086% *  0.2870% (0.87   1.0  1.00   0.02  21.74) =   0.000%
        T HB    ILE   19 - HB3   LEU   67  12.15 +/- 1.94   0.002% *  2.6965% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LEU   67   8.31 +/- 1.73   0.032% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LEU   67  11.11 +/- 1.77   0.003% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HB3   LEU   67  16.03 +/- 1.88   0.000% *  0.2135% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   67  16.81 +/- 1.93   0.000% *  0.2489% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  17.11 +/- 0.94   0.000% *  0.2257% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  21.41 +/- 2.61   0.000% *  0.0692% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  23.41 +/- 1.57   0.000% *  0.1394% (0.42   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 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  20.21 +/- 1.38 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.58 A violated in 20 structures by 16.63 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 5.4, residual support = 62.3:
      O   HN    LEU   67 - HB3   LEU   67   3.62 +/- 0.28  99.336% * 99.4441% (0.54  10.0   5.40  62.34) = 100.000%  kept
          QE    PHE   95 - HB3   LEU   67  11.35 +/- 2.82   0.648% *  0.0348% (0.19   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   LEU   67  18.70 +/- 1.53   0.006% *  0.1722% (0.93   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   LEU   67  18.98 +/- 1.57   0.006% *  0.1524% (0.82   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   LEU   67  19.62 +/- 1.60   0.004% *  0.0391% (0.21   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   LEU   67  26.03 +/- 1.67   0.001% *  0.1575% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2826 (5.01, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 5.08, residual support = 62.3:
      O   HA    LEU   67 - HB2   LEU   67   2.85 +/- 0.23  99.999% * 99.8354% (0.38  10.0   5.08  62.34) = 100.000%  kept
          HA    ASP-  76 - HB2   LEU   67  19.41 +/- 1.37   0.001% *  0.1646% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 3.09, residual support = 34.5:
          QE    PHE   72 - HB2   LEU   67   2.89 +/- 0.89  99.935% * 99.0337% (0.58   3.09  34.55) = 100.000%  kept
          QD    PHE   95 - HB2   LEU   67  10.94 +/- 2.01   0.063% *  0.2474% (0.22   0.02   0.02) =   0.000%
          HN    ALA   47 - HB2   LEU   67  20.02 +/- 1.53   0.002% *  0.7189% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 2 structures by 0.15 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 5.05, residual support = 62.3:
      O   HN    LEU   67 - HB2   LEU   67   2.68 +/- 0.50  99.683% * 99.6033% (0.70  10.0   5.05  62.34) = 100.000%  kept
          QE    PHE   95 - HB2   LEU   67  10.72 +/- 2.85   0.310% *  0.0626% (0.44   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU   67  18.31 +/- 1.43   0.001% *  0.0862% (0.61   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU   67  19.12 +/- 1.47   0.001% *  0.0668% (0.47   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   LEU   67  19.74 +/- 1.31   0.001% *  0.0424% (0.30   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU   67  16.69 +/- 1.68   0.002% *  0.0181% (0.13   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  18.06 +/- 1.51   0.001% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU   67  25.02 +/- 1.75   0.000% *  0.0976% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.96, residual support = 34.5:
        T HZ    PHE   72 - HB2   LEU   67   3.34 +/- 0.84  99.988% * 99.9822% (0.63 10.00   2.96  34.55) = 100.000%  kept
          HZ2   TRP   27 - HB2   LEU   67  16.88 +/- 2.18   0.012% *  0.0178% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.559, support = 4.0, residual support = 62.5:
      O T HA    VAL   24 - HB    VAL   24   2.66 +/- 0.22  90.036% * 82.3820% (0.57  10.0 10.00   3.97  63.10) =  97.847%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.91 +/- 0.16   9.960% * 16.3856% (0.11  10.0  1.00   5.46  36.54) =   2.153%  kept
          HA    LYS+  38 - HB2   PRO   68  15.07 +/- 1.21   0.003% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  22.97 +/- 1.49   0.000% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  19.93 +/- 0.90   0.001% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  23.93 +/- 1.73   0.000% *  0.0133% (0.09   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 2833 (1.11, 2.11, 31.99 ppm):
    12 chemical-shift based assignments, quality = 0.628, support = 3.24, residual support = 63.1:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.01  99.973% * 98.0584% (0.63  10.0 10.00   3.24  63.10) = 100.000%  kept
          HG13  ILE  119 - HB2   PRO   68  13.46 +/- 3.20   0.010% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL   24  11.74 +/- 0.63   0.004% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24   9.92 +/- 0.74   0.011% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  21.29 +/- 1.75   0.000% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.04 +/- 2.00   0.001% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  21.22 +/- 3.40   0.000% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  17.75 +/- 1.72   0.000% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.12 +/- 1.31   0.000% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  16.29 +/- 1.56   0.001% *  0.0258% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  22.62 +/- 2.48   0.000% *  0.0687% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  26.45 +/- 3.32   0.000% *  0.1041% (0.67   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 2834 (8.80, 2.11, 31.99 ppm):
    8 chemical-shift based assignments, quality = 0.339, support = 5.82, residual support = 31.8:
      O   HN    ASN   69 - HB2   PRO   68   3.58 +/- 0.91  51.046% * 67.8083% (0.34  10.0   5.85  31.56) =  80.175%  kept
          HN    GLU-  25 - HB    VAL   24   3.63 +/- 0.43  45.951% * 17.7306% (0.31   1.0   5.89  33.68) =  18.872%  kept
          HN    ASN   28 - HB    VAL   24   5.68 +/- 0.41   2.934% * 14.0271% (0.66   1.0   2.16  13.06) =   0.953%  kept
          HN    ASP-  44 - HB    VAL   24  11.09 +/- 1.28   0.063% *  0.0654% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  16.60 +/- 1.05   0.005% *  0.0803% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.04 +/- 1.32   0.001% *  0.1592% (0.81   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  23.54 +/- 1.21   0.001% *  0.0552% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  25.20 +/- 1.42   0.000% *  0.0739% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.37, residual support = 63.1:
      O   HN    VAL   24 - HB    VAL   24   2.24 +/- 0.25 100.000% * 99.8774% (0.33  10.0   4.37  63.10) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  24.86 +/- 1.52   0.000% *  0.1226% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 3.19, residual support = 36.5:
      O   HD3   PRO   68 - HG2   PRO   68   2.63 +/- 0.30  99.993% * 99.5120% (0.57  10.0   3.19  36.54) = 100.000%  kept
          HB2   PHE   59 - HG2   PRO   68  15.25 +/- 3.11   0.005% *  0.0580% (0.33   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   PRO   68  20.39 +/- 2.92   0.001% *  0.0910% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   PRO   68  22.56 +/- 2.86   0.000% *  0.1168% (0.67   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   68  24.77 +/- 3.03   0.000% *  0.1189% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   PRO   68  24.41 +/- 3.11   0.000% *  0.1033% (0.60   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 2.9, residual support = 36.5:
      O   HD2   PRO   68 - HG2   PRO   68   2.56 +/- 0.29  99.973% * 99.8205% (0.63  10.0   2.90  36.54) = 100.000%  kept
          HA    ALA   61 - HG2   PRO   68  12.03 +/- 1.63   0.021% *  0.0826% (0.52   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  17.79 +/- 2.87   0.003% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   68  15.48 +/- 1.74   0.002% *  0.0167% (0.11   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   PRO   68  23.00 +/- 1.37   0.000% *  0.0656% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.745, support = 4.89, residual support = 56.6:
      O   HD3   PRO   68 - HG3   PRO   68   2.57 +/- 0.30  60.703% * 72.5214% (0.84  10.0  1.00   4.94  36.54) =  84.298%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.83 +/- 0.12  34.941% * 23.1170% (0.27  10.0 10.00   4.67 166.74) =  15.467%  kept
          QB    PHE   55 - HG2   ARG+  54   5.66 +/- 1.42   3.892% *  3.1528% (0.20   1.0  1.00   3.56   3.47) =   0.235%
          HB3   CYS   53 - HG2   ARG+  54   6.39 +/- 0.87   0.408% *  0.0227% (0.26   1.0  1.00   0.02  31.92) =   0.000%
          HD3   PRO   93 - HG2   ARG+  54   9.91 +/- 1.20   0.033% *  0.0201% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  15.25 +/- 2.91   0.005% *  0.0423% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  10.66 +/- 1.17   0.015% *  0.0113% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  24.84 +/- 2.67   0.000% *  0.8663% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  20.41 +/- 2.78   0.001% *  0.0664% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  22.59 +/- 2.92   0.000% *  0.0851% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  24.46 +/- 3.22   0.000% *  0.0753% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.27 +/- 1.99   0.000% *  0.0194% (0.22   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 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.62, residual support = 36.5:
      O   HD2   PRO   68 - HG3   PRO   68   2.62 +/- 0.29  99.582% * 99.5569% (0.92  10.0  1.00   4.62  36.54) = 100.000%  kept
          HD3   PRO   58 - HG2   ARG+  54   7.20 +/- 0.99   0.392% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HG3   PRO   68  12.18 +/- 1.41   0.011% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG3   PRO   68  15.58 +/- 1.48   0.003% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HG2   ARG+  54  12.76 +/- 1.38   0.010% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  17.83 +/- 2.55   0.001% *  0.0146% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  23.10 +/- 1.82   0.000% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  22.43 +/- 2.08   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  22.02 +/- 1.21   0.000% *  0.0175% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  31.14 +/- 1.25   0.000% *  0.0444% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 5.28, residual support = 36.5:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  99.042% * 98.5022% (0.98  10.0 10.00   5.28  36.54) = 100.000%  kept
          HB2   PHE   59 - HD3   PRO   58   4.20 +/- 0.78   0.801% *  0.0070% (0.07   1.0  1.00   0.02  40.30) =   0.000%
          QB    PHE   55 - HD3   PRO   58   5.54 +/- 0.57   0.124% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD3   PRO   58  10.85 +/- 1.31   0.003% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   8.11 +/- 1.22   0.018% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   8.19 +/- 0.61   0.011% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  13.99 +/- 2.21   0.001% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD2   PRO   68  22.97 +/- 2.49   0.000% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  16.41 +/- 1.97   0.000% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  19.33 +/- 2.06   0.000% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  21.13 +/- 2.28   0.000% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  23.65 +/- 2.47   0.000% *  0.0768% (0.76   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 2841 (3.75, 3.33, 50.60 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 5.28, residual support = 36.5:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  99.993% * 99.4504% (0.92  10.0 10.00   5.28  36.54) = 100.000%  kept
          HA    ALA   61 - HD3   PRO   68  10.51 +/- 1.27   0.003% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93  10.85 +/- 1.31   0.003% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   68  16.41 +/- 1.97   0.000% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  15.26 +/- 1.56   0.000% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  22.97 +/- 2.49   0.000% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  15.80 +/- 1.16   0.000% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  22.32 +/- 1.50   0.000% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  17.83 +/- 0.78   0.000% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  27.82 +/- 0.85   0.000% *  0.0031% (0.03   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 2844 (5.01, 3.33, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.56, residual support = 21.7:
      O   HA    LEU   67 - HD3   PRO   68   2.28 +/- 0.32  99.979% * 99.7870% (0.53  10.0   5.56  21.74) = 100.000%  kept
          HA    ASP-  76 - HD3   PRO   93  10.29 +/- 0.84   0.020% *  0.0302% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   68  22.14 +/- 1.30   0.000% *  0.1645% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   93  22.06 +/- 1.71   0.000% *  0.0183% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 4.51, residual support = 21.7:
      O   HA    LEU   67 - HD2   PRO   68   2.39 +/- 0.19  99.996% * 99.8155% (0.53  10.0   4.51  21.74) = 100.000%  kept
          HA    ASP-  76 - HD2   PRO   68  21.76 +/- 1.46   0.000% *  0.1646% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   58  14.80 +/- 0.90   0.002% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  15.70 +/- 0.91   0.001% *  0.0075% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2846 (7.70, 2.90, 37.49 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.63, residual support = 59.6:
      O   HD21  ASN   69 - HB2   ASN   69   2.63 +/- 0.49  99.972% * 99.5864% (0.65  10.0   3.63  59.58) = 100.000%  kept
          HN    GLN   17 - HB2   ASN   69  12.04 +/- 1.54   0.024% *  0.1286% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   ASN   69  16.71 +/- 0.62   0.003% *  0.0475% (0.31   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   ASN   69  22.72 +/- 2.03   0.000% *  0.0934% (0.61   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  25.72 +/- 1.36   0.000% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  28.32 +/- 1.55   0.000% *  0.0384% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 59.6:
      O   HN    ASN   69 - HB2   ASN   69   3.50 +/- 0.52  99.961% * 99.9414% (0.97  10.0   5.39  59.58) = 100.000%  kept
          HN    GLY  101 - HB2   ASN   69  14.36 +/- 1.56   0.035% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   69  19.93 +/- 1.03   0.004% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.59, residual support = 59.6:
      O   HD21  ASN   69 - HB3   ASN   69   3.31 +/- 0.41  99.921% * 99.7810% (0.99  10.0   3.59  59.58) = 100.000%  kept
          HN    GLN   17 - HB3   ASN   69  11.98 +/- 1.55   0.077% *  0.0987% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   ASN   69  26.44 +/- 1.26   0.000% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  23.47 +/- 1.98   0.001% *  0.0199% (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 2849 (8.82, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.88, residual support = 59.6:
      O   HN    ASN   69 - HB3   ASN   69   2.98 +/- 0.47  99.990% * 99.9414% (0.97  10.0   4.88  59.58) = 100.000%  kept
          HN    GLY  101 - HB3   ASN   69  15.35 +/- 1.42   0.009% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASN   69  20.82 +/- 1.05   0.001% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.07, residual support = 59.6:
          HD21  ASN   69 - HA    ASN   69   3.56 +/- 0.58  99.514% * 89.7776% (0.20   3.07  59.58) =  99.994%  kept
          HN    GLN   17 - HA    ASN   69   9.92 +/- 1.74   0.455% *  1.0086% (0.34   0.02   0.02) =   0.005%
          HN    ALA   61 - HA    ASN   69  15.31 +/- 0.64   0.021% *  2.3677% (0.80   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    ASN   69  18.62 +/- 0.89   0.006% *  1.1098% (0.38   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ASN   69  22.60 +/- 1.85   0.002% *  2.9308% (0.99   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ASN   69  27.52 +/- 1.47   0.001% *  2.1472% (0.73   0.02   0.02) =   0.000%
          HN    TRP   87 - HA    ASN   69  25.26 +/- 1.08   0.001% *  0.6583% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.09 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  17.00 +/- 2.59 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.51 A violated in 20 structures by 13.49 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.317, support = 0.0197, residual support = 0.0197:
        T QB    ALA   88 - HB2   SER   82  10.56 +/- 0.33   3.372% * 37.0886% (0.42 10.00   0.02   0.02) =  30.671%  kept
        T QB    ALA   88 - HA    SER   48  14.94 +/- 2.72   5.061% * 17.4364% (0.20 10.00   0.02   0.02) =  21.641%  kept
          QG2   THR   77 - HA    SER   48   7.16 +/- 0.81  37.408% *  1.9923% (0.23  1.00   0.02   0.02) =  18.276%  kept
          HG2   LYS+  99 - HA    VAL   70   8.89 +/- 1.10  12.777% *  3.6274% (0.41  1.00   0.02   0.02) =  11.365%  kept
          QG2   THR   77 - HB2   SER   82   9.23 +/- 0.80   7.703% *  4.2379% (0.48  1.00   0.02   0.02) =   8.005%  kept
          QG2   THR   23 - HB2   SER   82   7.90 +/- 1.41  27.199% *  0.9519% (0.11  1.00   0.02   0.02) =   6.349%  kept
          HG2   LYS+  38 - HA    VAL   70  11.47 +/- 0.93   2.089% *  4.6421% (0.53  1.00   0.02   0.02) =   2.378%  kept
          QG2   THR   77 - HA    VAL   70  16.94 +/- 0.50   0.194% *  8.7452% (0.99  1.00   0.02   0.02) =   0.416%
          HB2   LEU   31 - HA    VAL   70  13.47 +/- 1.05   0.905% *  1.3614% (0.15  1.00   0.02   0.02) =   0.302%
          QG2   THR   23 - HA    SER   48  12.58 +/- 2.35   2.352% *  0.4475% (0.05  1.00   0.02   0.02) =   0.258%
          QB    ALA   88 - HA    VAL   70  20.59 +/- 1.22   0.065% *  7.6536% (0.87  1.00   0.02   0.02) =   0.123%
          QG2   THR   23 - HA    VAL   70  17.35 +/- 0.73   0.175% *  1.9644% (0.22  1.00   0.02   0.02) =   0.084%
          HB2   LEU   31 - HB2   SER   82  14.63 +/- 1.25   0.482% *  0.6597% (0.07  1.00   0.02   0.02) =   0.078%
          HG2   LYS+ 111 - HA    VAL   70  23.14 +/- 3.08   0.042% *  1.7461% (0.20  1.00   0.02   0.02) =   0.018%
          HG2   LYS+  99 - HB2   SER   82  24.11 +/- 1.36   0.023% *  1.7578% (0.20  1.00   0.02   0.02) =   0.010%
          HG2   LYS+  38 - HB2   SER   82  25.55 +/- 1.28   0.016% *  2.2495% (0.25  1.00   0.02   0.02) =   0.009%
          HG2   LYS+ 111 - HA    SER   48  20.74 +/- 2.73   0.083% *  0.3978% (0.05  1.00   0.02   0.02) =   0.008%
          HG2   LYS+ 111 - HB2   SER   82  27.32 +/- 2.97   0.013% *  0.8462% (0.10  1.00   0.02   0.02) =   0.003%
          HB2   LEU   31 - HA    SER   48  23.58 +/- 1.23   0.028% *  0.3102% (0.04  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HA    SER   48  28.99 +/- 0.97   0.007% *  0.8264% (0.09  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HA    SER   48  32.24 +/- 0.95   0.004% *  1.0576% (0.12  1.00   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 19 structures by 2.43 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.39, residual support = 33.0:
      O   HN    LEU   71 - HA    VAL   70   2.26 +/- 0.02  99.984% * 99.7573% (0.87  10.0   5.39  32.99) = 100.000%  kept
          HN    THR   26 - HB2   SER   82  10.81 +/- 1.43   0.013% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  19.87 +/- 2.00   0.000% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  17.92 +/- 0.81   0.000% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  17.20 +/- 2.17   0.001% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  21.86 +/- 1.12   0.000% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  17.57 +/- 1.86   0.001% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  21.30 +/- 2.04   0.000% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  23.13 +/- 0.99   0.000% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  27.85 +/- 1.83   0.000% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  21.17 +/- 2.01   0.000% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  27.93 +/- 1.74   0.000% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 0.954, support = 3.33, residual support = 42.5:
        T HZ    PHE   72 - HB    VAL   70   3.89 +/- 0.93  44.901% * 94.2712% (1.00 10.00   3.30  42.46) =  93.665%  kept
          QD    PHE   72 - HB    VAL   70   3.82 +/- 0.52  51.772% *  5.5287% (0.31  1.00   3.79  42.46) =   6.334%  kept
        T HZ    PHE   72 - QG    GLN   17   9.11 +/- 1.03   0.318% *  0.1751% (0.19 10.00   0.02   0.02) =   0.001%
          QD    PHE   72 - QG    GLN   17   6.42 +/- 0.94   2.961% *  0.0054% (0.06  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - HB    VAL   70  13.40 +/- 0.59   0.029% *  0.0165% (0.18  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - QG    GLN   17  14.85 +/- 1.14   0.018% *  0.0031% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.97, residual support = 42.5:
          QE    PHE   72 - HB    VAL   70   2.42 +/- 0.59  99.438% * 98.8326% (0.73   3.97  42.46) =  99.999%  kept
          QE    PHE   72 - QG    GLN   17   7.35 +/- 1.09   0.482% *  0.0925% (0.13   0.02   0.02) =   0.000%
          QD    PHE   95 - HB    VAL   70   9.71 +/- 1.35   0.065% *  0.2575% (0.38   0.02   0.02) =   0.000%
          QD    PHE   95 - QG    GLN   17  12.71 +/- 1.46   0.012% *  0.0478% (0.07   0.02   0.02) =   0.000%
          HN    ALA   47 - HB    VAL   70  19.69 +/- 1.04   0.001% *  0.6490% (0.95   0.02   0.02) =   0.000%
          HN    ALA   47 - QG    GLN   17  15.95 +/- 1.71   0.003% *  0.1205% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 81.5:
      O   HN    VAL   70 - HB    VAL   70   2.58 +/- 0.27  99.925% * 99.9336% (0.76  10.0   4.31  81.45) = 100.000%  kept
          HN    VAL   70 - QG    GLN   17  10.11 +/- 1.40   0.073% *  0.0186% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB    VAL   70  22.09 +/- 0.60   0.000% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  17.70 +/- 1.44   0.001% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.83, residual support = 81.5:
          HN    VAL   70 - QG1   VAL   70   2.56 +/- 0.38  99.991% * 98.2794% (0.28   4.83  81.45) = 100.000%  kept
          HN    THR   94 - QG1   VAL   70  13.57 +/- 1.26   0.009% *  0.5491% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG1   VAL   70  19.26 +/- 0.83   0.001% *  1.1715% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2859 (8.93, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.347, support = 1.41, residual support = 1.22:
          HN    VAL   42 - QG2   VAL   70   4.06 +/- 0.27  85.917% * 60.6133% (0.35   1.45   1.33) =  91.661%  kept
          HN    LEU   73 - QG2   VAL   70   5.71 +/- 0.43  12.366% * 38.1401% (0.35   0.91   0.02) =   8.301%  kept
          HN    ILE   19 - QG2   VAL   70   8.10 +/- 0.78   1.716% *  1.2466% (0.52   0.02   0.02) =   0.038%
    Distance limit 3.74 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2860 (1.46, 0.19, 22.28 ppm):
    11 chemical-shift based assignments, quality = 0.449, support = 5.36, residual support = 35.9:
        T HG    LEU   40 - QG2   VAL   70   3.23 +/- 0.44  39.165% * 69.1415% (0.54 10.00   5.89  35.97) =  72.634%  kept
        T HB3   LEU   40 - QG2   VAL   70   3.51 +/- 0.89  35.444% * 28.4881% (0.22 10.00   3.99  35.97) =  27.085%  kept
          HB3   LEU   67 - QG2   VAL   70   4.59 +/- 1.90  16.704% *  0.5727% (0.15  1.00   0.59   0.38) =   0.257%
        T HG    LEU   73 - QG2   VAL   70   6.59 +/- 0.87   0.891% *  0.4483% (0.35 10.00   0.02   0.02) =   0.011%
          HG    LEU   67 - QG2   VAL   70   5.71 +/- 1.63   5.530% *  0.0687% (0.53  1.00   0.02   0.38) =   0.010%
          QG    LYS+  66 - QG2   VAL   70   7.80 +/- 1.27   1.758% *  0.0311% (0.24  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - QG2   VAL   70  10.83 +/- 1.69   0.050% *  0.6914% (0.54 10.00   0.02   0.02) =   0.001%
        T HG    LEU  115 - QG2   VAL   70  11.18 +/- 2.19   0.075% *  0.4483% (0.35 10.00   0.02   0.02) =   0.001%
          QB    ALA  120 - QG2   VAL   70   9.35 +/- 2.21   0.219% *  0.0448% (0.35  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   70   8.53 +/- 0.54   0.150% *  0.0121% (0.09  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   70  12.62 +/- 1.34   0.014% *  0.0530% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2861 (6.70, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.416, support = 3.04, residual support = 42.5:
        T QD    PHE   72 - QG2   VAL   70   2.89 +/- 0.60  80.014% * 55.2900% (0.43 10.00   2.76  42.46) =  83.282%  kept
        T HZ    PHE   72 - QG2   VAL   70   3.88 +/- 0.89  19.881% * 44.6681% (0.35 10.00   4.44  42.46) =  16.717%  kept
          QE    PHE   45 - QG2   VAL   70   9.60 +/- 0.48   0.105% *  0.0419% (0.33  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2862 (6.99, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.536, support = 5.16, residual support = 42.5:
          QE    PHE   72 - QG2   VAL   70   2.48 +/- 0.79  99.979% * 99.6650% (0.54   5.16  42.46) = 100.000%  kept
          HD22  ASN   28 - QG2   VAL   70  13.55 +/- 0.41   0.014% *  0.1318% (0.18   0.02   0.02) =   0.000%
          HN    ALA   47 - QG2   VAL   70  15.44 +/- 0.62   0.007% *  0.2033% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2863 (8.16, 0.19, 22.28 ppm):
    5 chemical-shift based assignments, quality = 0.507, support = 6.45, residual support = 33.0:
          HN    LEU   71 - QG2   VAL   70   2.32 +/- 0.21  99.939% * 99.3854% (0.51   6.45  32.99) = 100.000%  kept
          HN    THR  118 - QG2   VAL   70  10.28 +/- 1.74   0.022% *  0.0906% (0.15   0.02   0.02) =   0.000%
          HN    PHE   60 - QG2   VAL   70   9.34 +/- 1.12   0.029% *  0.0441% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   VAL   70  12.10 +/- 1.79   0.007% *  0.1715% (0.28   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   VAL   70  14.27 +/- 1.51   0.003% *  0.3084% (0.51   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.666, support = 2.79, residual support = 42.5:
        T HZ    PHE   72 - QG1   VAL   70   4.11 +/- 0.71  54.657% * 85.1675% (0.65 10.00   2.79  42.46) =  87.472%  kept
          QD    PHE   72 - QG1   VAL   70   4.30 +/- 1.12  45.191% * 14.7526% (0.80  1.00   2.80  42.46) =  12.528%  kept
          QE    PHE   45 - QG1   VAL   70  11.54 +/- 0.73   0.152% *  0.0799% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 1 structures by 0.24 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 2.19, residual support = 4.48:
          HA    VAL   41 - HB2   LEU   71   2.65 +/- 0.57  99.963% * 98.5402% (0.92   2.19   4.48) = 100.000%  kept
          HA    HIS  122 - HB2   LEU   71  13.79 +/- 4.19   0.026% *  0.9425% (0.97   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   LEU   71  13.55 +/- 0.51   0.011% *  0.3666% (0.38   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LEU   71  20.86 +/- 1.04   0.001% *  0.1507% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.33, residual support = 138.0:
      O   HN    LEU   71 - HB2   LEU   71   2.70 +/- 0.28  99.989% * 99.8011% (0.95  10.0   6.33 137.99) = 100.000%  kept
          HN    PHE   60 - HB2   LEU   71  14.32 +/- 1.12   0.007% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB2   LEU   71  16.87 +/- 1.87   0.002% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   LEU   71  19.01 +/- 1.74   0.001% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   LEU   71  21.24 +/- 1.39   0.001% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.26, residual support = 138.0:
      O   HN    LEU   71 - HB3   LEU   71   2.64 +/- 0.60  99.989% * 99.8011% (0.95  10.0   6.26 137.99) = 100.000%  kept
          HN    PHE   60 - HB3   LEU   71  14.94 +/- 1.01   0.007% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   71  19.60 +/- 1.75   0.001% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   71  17.45 +/- 1.94   0.002% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   71  21.93 +/- 1.51   0.001% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2870 (1.81, 1.24, 27.63 ppm):
    20 chemical-shift based assignments, quality = 0.965, support = 4.93, residual support = 138.0:
      O   HB2   LEU   71 - HG    LEU   71   2.46 +/- 0.14  99.043% * 99.3720% (0.97  10.0   4.93 137.99) = 100.000%  kept
          HB    VAL   41 - HG    LEU   71   7.01 +/- 0.78   0.224% *  0.0501% (0.49   1.0   0.02   4.48) =   0.000%
          HB3   GLN   17 - HG13  ILE   19   6.41 +/- 1.19   0.550% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE   19   8.73 +/- 2.00   0.112% *  0.0142% (0.14   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG    LEU   71  12.84 +/- 1.04   0.008% *  0.0707% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG    LEU   71  12.65 +/- 1.80   0.010% *  0.0501% (0.49   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   71  13.42 +/- 0.79   0.004% *  0.1009% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG    LEU   71  13.65 +/- 1.17   0.004% *  0.1030% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  10.31 +/- 0.92   0.021% *  0.0145% (0.14   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   71  13.74 +/- 1.16   0.004% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  12.35 +/- 1.28   0.010% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19  13.18 +/- 1.76   0.006% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  21.12 +/- 1.46   0.000% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  18.61 +/- 4.23   0.001% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  19.08 +/- 1.70   0.001% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  19.64 +/- 1.60   0.000% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  18.85 +/- 1.65   0.001% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  25.00 +/- 1.24   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  19.79 +/- 2.39   0.001% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  22.45 +/- 1.81   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 6.75, residual support = 138.0:
          HN    LEU   71 - QD2   LEU   71   3.62 +/- 0.32  99.843% * 99.7032% (0.87   6.75 137.99) = 100.000%  kept
          HN    THR   26 - QD2   LEU   71  11.36 +/- 0.85   0.143% *  0.0849% (0.25   0.02   0.02) =   0.000%
          HN    GLU- 114 - QD2   LEU   71  19.81 +/- 1.21   0.005% *  0.1658% (0.49   0.02   0.02) =   0.000%
          HN    GLN  116 - QD2   LEU   71  17.68 +/- 1.43   0.009% *  0.0461% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.46, residual support = 20.2:
          HN    PHE   72 - QD2   LEU   71   3.22 +/- 0.35  99.962% * 99.5805% (0.73   5.46  20.20) = 100.000%  kept
          HN    LEU  104 - QD2   LEU   71  12.36 +/- 0.87   0.038% *  0.4195% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.612, support = 5.16, residual support = 41.0:
      O   HN    LEU   73 - HA    PHE   72   2.21 +/- 0.03  96.094% * 99.7786% (0.61  10.0   5.16  40.99) =  99.996%  kept
          HN    VAL   42 - HA    PHE   72   4.03 +/- 0.43   3.275% *  0.0998% (0.61   1.0   0.02   5.94) =   0.003%
          HN    ILE   19 - HA    PHE   72   5.33 +/- 0.73   0.629% *  0.0218% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    PHE   72  13.77 +/- 1.15   0.002% *  0.0998% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.65 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 = 90.9:
      O   HN    PHE   72 - HA    PHE   72   2.92 +/- 0.02  99.981% * 99.9786% (0.71  10.0   5.14  90.91) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  12.29 +/- 0.67   0.019% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2877 (1.43, 5.27, 56.60 ppm):
    12 chemical-shift based assignments, quality = 0.373, support = 2.48, residual support = 40.7:
          HG    LEU   73 - HA    PHE   72   4.24 +/- 0.98  73.351% * 69.3762% (0.37   2.51  40.99) =  98.484%  kept
          HB3   LEU   67 - HA    PHE   72   8.05 +/- 1.38   2.302% * 23.0848% (0.66   0.47  34.55) =   1.028%  kept
          HG12  ILE   19 - HA    PHE   72   7.23 +/- 2.15  20.990% *  1.0949% (0.74   0.02   0.02) =   0.445%
          QB    ALA   61 - HA    PHE   72   8.39 +/- 0.68   1.040% *  1.0949% (0.74   0.02   0.02) =   0.022%
          HB3   LYS+  74 - HA    PHE   72   8.10 +/- 0.38   1.154% *  0.4664% (0.31   0.02   0.02) =   0.010%
          QG    LYS+  66 - HA    PHE   72  11.12 +/- 1.15   0.306% *  0.7793% (0.52   0.02   0.17) =   0.005%
          QB    LEU   98 - HA    PHE   72   9.04 +/- 0.77   0.661% *  0.2245% (0.15   0.02   0.02) =   0.003%
          QB    ALA  110 - HA    PHE   72  15.69 +/- 2.47   0.052% *  1.1245% (0.76   0.02   0.02) =   0.001%
          HG    LEU   80 - HA    PHE   72  13.61 +/- 0.75   0.050% *  1.1320% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    PHE   72  13.93 +/- 0.63   0.046% *  0.6881% (0.46   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HA    PHE   72  15.58 +/- 2.40   0.034% *  0.5086% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    PHE   72  17.06 +/- 1.37   0.014% *  0.4258% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 5 structures by 0.77 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.819, support = 5.59, residual support = 41.0:
          QD2   LEU   73 - HB2   PHE   72   4.07 +/- 0.15  97.384% * 98.9716% (0.82   5.59  40.99) =  99.997%  kept
          QG1   VAL   43 - HB2   PHE   72   8.33 +/- 0.60   1.530% *  0.0714% (0.17   0.02   0.02) =   0.001%
          QG1   VAL   41 - HB2   PHE   72   9.21 +/- 0.56   0.819% *  0.1231% (0.28   0.02   0.02) =   0.001%
          HG    LEU   31 - HB2   PHE   72  12.60 +/- 1.01   0.130% *  0.3237% (0.75   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB2   PHE   72  12.72 +/- 0.80   0.115% *  0.3483% (0.81   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB2   PHE   72  17.35 +/- 1.79   0.022% *  0.1618% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.46 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.48, residual support = 37.8:
        T QB    ALA   64 - HB2   PHE   72   2.98 +/- 0.44  99.992% * 99.9825% (0.84 10.00   2.48  37.84) = 100.000%  kept
          QB    ALA   47 - HB2   PHE   72  15.25 +/- 0.82   0.008% *  0.0175% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.691, support = 5.74, residual support = 38.0:
          QD2   LEU   73 - HB3   PHE   72   4.43 +/- 0.23  36.655% * 93.7350% (0.72   6.19  40.99) =  91.702%  kept
          QG2   VAL   18 - HB3   PHE   72   4.01 +/- 0.58  60.796% *  5.1052% (0.33   0.75   5.16) =   8.284%  kept
          QG1   VAL   43 - HB3   PHE   72   7.67 +/- 0.69   1.518% *  0.2200% (0.53   0.02   0.02) =   0.009%
          QG1   VAL   41 - HB3   PHE   72   9.39 +/- 0.60   0.406% *  0.2905% (0.69   0.02   0.02) =   0.003%
          QG2   THR   46 - HB3   PHE   72   9.46 +/- 0.92   0.429% *  0.1009% (0.24   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB3   PHE   72  11.51 +/- 0.85   0.127% *  0.2054% (0.49   0.02   0.02) =   0.001%
          HG    LEU   31 - HB3   PHE   72  12.71 +/- 0.95   0.070% *  0.3431% (0.82   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.48, residual support = 37.8:
        T QB    ALA   64 - HB3   PHE   72   2.85 +/- 0.42  99.956% * 99.9693% (0.63 10.00   2.48  37.84) = 100.000%  kept
          QD1   LEU  115 - HB3   PHE   72  11.44 +/- 1.62   0.044% *  0.0307% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.472, support = 1.5, residual support = 5.16:
        T HA    VAL   18 - HB2   PHE   72   2.94 +/- 0.66  97.662% * 88.7235% (0.47 10.00   1.50   5.16) =  99.903%  kept
          HA    VAL   70 - HB2   PHE   72   7.43 +/- 0.45   0.795% * 10.4622% (0.82  1.00   1.02  42.46) =   0.096%
          HA1   GLY   16 - HB2   PHE   72   7.11 +/- 1.19   1.465% *  0.0581% (0.23  1.00   0.02   0.02) =   0.001%
          HB2   SER   37 - HB2   PHE   72  12.39 +/- 0.73   0.031% *  0.1267% (0.51  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PHE   72  13.57 +/- 1.32   0.019% *  0.1597% (0.64  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   PHE   72  15.57 +/- 1.93   0.013% *  0.2048% (0.82  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PHE   72  14.92 +/- 1.31   0.011% *  0.1267% (0.51  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PHE   72  20.91 +/- 1.04   0.001% *  0.1017% (0.41  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   PHE   72  18.73 +/- 1.55   0.003% *  0.0366% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.152, support = 1.32, residual support = 5.16:
          HA    VAL   18 - HB3   PHE   72   2.90 +/- 0.61  99.100% * 58.7554% (0.15  1.00   1.32   5.16) =  99.943%  kept
          HA1   GLY   16 - HB3   PHE   72   8.04 +/- 0.92   0.411% *  3.6883% (0.63  1.00   0.02   0.02) =   0.026%
          HA    VAL   70 - HB3   PHE   72   8.10 +/- 0.18   0.419% *  3.0807% (0.53  1.00   0.02  42.46) =   0.022%
        T HA    LYS+  33 - HB3   PHE   72  14.64 +/- 1.13   0.015% * 15.6770% (0.27 10.00   0.02   0.02) =   0.004%
          HB2   SER   37 - HB3   PHE   72  13.59 +/- 0.82   0.022% *  4.9787% (0.85  1.00   0.02   0.02) =   0.002%
        T HA    GLU-  29 - HB3   PHE   72  15.49 +/- 1.02   0.010% * 10.0518% (0.17 10.00   0.02   0.02) =   0.002%
          HA    GLN  116 - HB3   PHE   72  14.51 +/- 1.89   0.020% *  3.0807% (0.53  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB3   PHE   72  20.22 +/- 1.18   0.002% *  0.6874% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 4.74, residual support = 90.9:
      O T QD    PHE   72 - HB3   PHE   72   2.46 +/- 0.18  99.380% * 99.0530% (0.87  10.0 10.00   4.74  90.91) = 100.000%  kept
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   0.601% *  0.0306% (0.27   1.0  1.00   0.02  90.91) =   0.000%
        T QE    PHE   45 - HB3   PHE   72  10.43 +/- 0.66   0.020% *  0.9164% (0.80   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 2885 (6.69, 2.83, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 4.48, residual support = 90.9:
      O T QD    PHE   72 - HB2   PHE   72   2.45 +/- 0.16  99.419% * 99.8767% (0.83  10.0 10.00   4.48  90.91) = 100.000%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   0.571% *  0.0309% (0.26   1.0  1.00   0.02  90.91) =   0.000%
          QE    PHE   45 - HB2   PHE   72  11.52 +/- 0.57   0.010% *  0.0924% (0.77   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 2886 (9.37, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.79, support = 5.04, residual support = 90.9:
      O   HN    PHE   72 - HB2   PHE   72   2.39 +/- 0.23  99.998% * 99.9402% (0.79  10.0   5.04  90.91) = 100.000%  kept
          HN    LEU  104 - HB2   PHE   72  15.09 +/- 0.71   0.002% *  0.0598% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.939, support = 0.737, residual support = 7.35:
          HG3   GLN   30 - HA    LEU   73   5.62 +/- 1.99  57.096% * 50.5482% (0.99   0.74   7.37) =  74.223%  kept
          HB2   GLN   30 - HA    LEU   73   6.13 +/- 1.13  23.778% * 41.6094% (0.80   0.75   7.37) =  25.445%  kept
          HB2   GLN   17 - HA    LEU   73   8.92 +/- 1.21   9.241% *  0.6745% (0.49   0.02   0.02) =   0.160%
          QB    GLU-  15 - HA    LEU   73  10.14 +/- 1.93   8.643% *  0.6745% (0.49   0.02   0.02) =   0.150%
          HB3   PRO   68 - HA    LEU   73  14.63 +/- 1.55   0.267% *  1.2020% (0.87   0.02   0.02) =   0.008%
          HB3   GLU-  25 - HA    LEU   73  12.56 +/- 1.16   0.344% *  0.4277% (0.31   0.02   0.02) =   0.004%
          HB    ILE  119 - HA    LEU   73  16.83 +/- 2.00   0.100% *  1.1096% (0.80   0.02   0.02) =   0.003%
          HB2   PRO   93 - HA    LEU   73  13.56 +/- 1.44   0.337% *  0.3085% (0.22   0.02   0.02) =   0.003%
          HB3   GLU- 100 - HA    LEU   73  17.58 +/- 1.53   0.080% *  1.2020% (0.87   0.02   0.02) =   0.002%
          HB    VAL  108 - HA    LEU   73  18.31 +/- 1.42   0.047% *  0.7845% (0.57   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HA    LEU   73  18.78 +/- 1.55   0.052% *  0.6745% (0.49   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HA    LEU   73  22.24 +/- 1.95   0.015% *  0.7845% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 8 structures by 1.38 A, kept.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.64, residual support = 40.7:
      O   HN    LYS+  74 - HA    LEU   73   2.39 +/- 0.10  99.982% * 99.6525% (0.69  10.0   5.64  40.69) = 100.000%  kept
          HN    THR   46 - HA    LEU   73  10.45 +/- 0.80   0.016% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LEU   73  19.69 +/- 3.18   0.001% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HA    LEU   73  21.13 +/- 1.43   0.000% *  0.1448% (1.00   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  17.21 +/- 1.87   0.001% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 0.792, support = 6.34, residual support = 169.1:
      O   HN    LEU   73 - HA    LEU   73   2.93 +/- 0.01  60.233% * 97.6685% (0.80  10.0   6.40 171.48) =  98.598%  kept
          HN    ILE   19 - HA    LEU   73   3.33 +/- 0.97  39.129% *  2.1361% (0.18   1.0   2.00   4.00) =   1.401%  kept
          HN    VAL   42 - HA    LEU   73   6.49 +/- 0.54   0.635% *  0.0977% (0.80   1.0   0.02   1.55) =   0.001%
          HN    LYS+ 106 - HA    LEU   73  16.74 +/- 0.96   0.002% *  0.0977% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.374, support = 6.18, residual support = 171.1:
      O   HN    LEU   73 - HB2   LEU   73   3.31 +/- 0.47  95.346% * 94.9377% (0.38  10.0   6.19 171.48) =  99.754%  kept
          HN    VAL   42 - HB2   LEU   73   5.63 +/- 0.81   4.644% *  4.8099% (0.38   1.0   1.01   1.55) =   0.246%
          HN    LYS+ 106 - HB2   LEU   73  15.62 +/- 1.04   0.011% *  0.2524% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 0.8, support = 2.0, residual support = 8.33:
          HA    VAL   43 - HB2   LEU   73   3.73 +/- 0.65  98.773% * 87.9403% (0.80  1.00   2.00   8.35) =  99.851%  kept
        T HA    HIS   22 - HB2   LEU   73   9.17 +/- 1.28   1.174% * 10.9831% (1.00 10.00   0.02   0.02) =   0.148%
          HA    ASN   69 - HB2   LEU   73  13.76 +/- 0.37   0.053% *  1.0766% (0.98  1.00   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.44, residual support = 40.7:
          HN    LYS+  74 - HB3   LEU   73   3.19 +/- 0.54  99.967% * 97.4944% (0.25   5.44  40.69) = 100.000%  kept
          HN    ASP-  78 - HB3   LEU   73  13.11 +/- 0.34   0.029% *  0.5915% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB3   LEU   73  21.30 +/- 1.69   0.003% *  1.0996% (0.76   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LEU   73  21.15 +/- 3.50   0.002% *  0.8146% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.763, support = 5.49, residual support = 163.0:
          HN    LEU   73 - HG    LEU   73   3.18 +/- 0.81  46.355% * 77.8400% (0.80   5.70 171.48) =  91.550%  kept
          HN    ILE   19 - HG12  ILE   19   3.29 +/- 0.81  34.837% *  5.2468% (0.06   5.38 128.78) =   4.638%  kept
          HN    VAL   42 - HG    LEU   73   4.05 +/- 1.07  13.216% * 10.1667% (0.80   0.74   1.55) =   3.409%  kept
          HN    VAL   42 - HG    LEU   40   5.10 +/- 1.06   2.664% *  5.9013% (0.15   2.32   1.24) =   0.399%
          HN    ILE   19 - HG    LEU   73   6.19 +/- 1.14   2.323% *  0.0598% (0.18   0.02   4.00) =   0.004%
          HN    LEU   73 - HG12  ILE   19   7.30 +/- 1.81   0.422% *  0.0892% (0.26   0.02   4.00) =   0.001%
          HN    VAL   42 - HG12  ILE   19   9.99 +/- 2.31   0.049% *  0.0892% (0.26   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   40   8.92 +/- 0.83   0.049% *  0.0509% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  10.72 +/- 1.00   0.020% *  0.0509% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  15.25 +/- 1.46   0.002% *  0.2733% (0.80   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  11.48 +/- 0.71   0.012% *  0.0333% (0.10   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  13.29 +/- 1.09   0.006% *  0.0333% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  10.73 +/- 1.59   0.025% *  0.0076% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  12.70 +/- 1.10   0.006% *  0.0111% (0.03   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  13.15 +/- 1.09   0.005% *  0.0073% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  20.67 +/- 2.38   0.000% *  0.0892% (0.26   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  14.30 +/- 2.10   0.004% *  0.0076% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  18.97 +/- 1.48   0.001% *  0.0333% (0.10   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  15.30 +/- 2.37   0.003% *  0.0076% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  16.81 +/- 1.48   0.001% *  0.0017% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.0732, support = 1.49, residual support = 1.81:
          HN    LEU   71 - HG    LEU   40   4.49 +/- 0.75  77.779% * 47.0208% (0.05   1.64   2.02) =  89.684%  kept
          HN    LEU   71 - HG    LEU   73   6.67 +/- 0.92  10.849% * 36.1646% (0.28   0.24   0.02) =   9.622%  kept
          HN    THR   26 - HG    LEU   73   9.64 +/- 1.34   1.903% *  9.2344% (0.84   0.02   0.02) =   0.431%
          HN    THR   26 - HG    LEU   80   7.38 +/- 1.01   6.737% *  1.1237% (0.10   0.02   0.02) =   0.186%
          HN    LEU   71 - HG12  ILE   19   9.92 +/- 2.51   2.367% *  1.0039% (0.09   0.02   0.02) =   0.058%
          HN    THR   26 - HG12  ILE   19  12.02 +/- 0.77   0.253% *  3.0158% (0.27   0.02   0.02) =   0.019%
          HN    THR   26 - HG    LEU   40  17.93 +/- 1.51   0.022% *  1.7216% (0.16   0.02   0.02) =   0.001%
          HN    LEU   71 - HG    LEU   80  16.95 +/- 1.01   0.033% *  0.3740% (0.03   0.02   0.02) =   0.000%
          HN    LEU   71 - HG    LEU  115  16.33 +/- 2.41   0.054% *  0.0852% (0.01   0.02   0.02) =   0.000%
          HN    THR   26 - HG    LEU  115  24.29 +/- 1.74   0.004% *  0.2560% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 5 structures by 0.56 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 = 7.92, residual support = 169.2:
          HN    LEU   73 - QD2   LEU   73   3.04 +/- 0.38  82.560% * 92.7886% (0.38   8.02 171.48) =  98.670%  kept
          HN    VAL   42 - QD2   LEU   73   4.04 +/- 0.48  16.551% *  6.2281% (0.38   0.54   1.55) =   1.328%  kept
          HN    LYS+ 106 - HG3   LYS+ 121   8.75 +/- 3.66   0.863% *  0.2099% (0.34   0.02   0.02) =   0.002%
          HN    LYS+ 106 - QD2   LEU   73  13.90 +/- 0.94   0.011% *  0.6155% (1.00   0.02   0.02) =   0.000%
          HN    VAL   42 - HG3   LYS+ 121  15.03 +/- 2.56   0.011% *  0.0790% (0.13   0.02   0.02) =   0.000%
          HN    LEU   73 - HG3   LYS+ 121  16.93 +/- 1.98   0.004% *  0.0790% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 5.64, residual support = 40.7:
          HN    LYS+  74 - QD2   LEU   73   3.93 +/- 0.25  99.842% * 96.6704% (0.25   5.64  40.69) =  99.999%  kept
          HN    ASP-  78 - QD2   LEU   73  13.32 +/- 0.25   0.071% *  0.5655% (0.41   0.02   0.02) =   0.000%
          HN    MET   11 - QD2   LEU   73  15.80 +/- 2.39   0.042% *  0.7788% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QD2   LEU   73  18.86 +/- 1.24   0.010% *  1.0513% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HG3   LYS+ 121  15.74 +/- 0.70   0.028% *  0.3585% (0.26   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   LYS+ 121  20.98 +/- 1.82   0.005% *  0.1170% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 121  26.43 +/- 2.00   0.001% *  0.1929% (0.14   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 121  32.64 +/- 3.94   0.000% *  0.2656% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.79, residual support = 187.6:
      O   HN    LYS+  74 - HB2   LYS+  74   3.00 +/- 0.31  99.899% * 99.3064% (0.20  10.0   5.79 187.57) = 100.000%  kept
          HN    ASP-  78 - HB2   LYS+  74  10.51 +/- 0.87   0.094% *  0.1637% (0.33   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+  74  21.44 +/- 4.14   0.005% *  0.2255% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   LYS+  74  19.77 +/- 1.65   0.002% *  0.3044% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 4.28, residual support = 31.1:
          HN    VAL   75 - HB3   LYS+  74   4.20 +/- 0.19  99.487% * 98.4858% (0.41   4.28  31.08) =  99.995%  kept
          HN    ASP-  78 - HB3   LYS+  74  10.26 +/- 0.52   0.477% *  0.9720% (0.87   0.02   0.02) =   0.005%
          HN    MET   11 - HB3   LYS+  74  21.08 +/- 4.01   0.028% *  0.1963% (0.18   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB3   LYS+  74  20.81 +/- 1.72   0.008% *  0.3459% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.58 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.54, residual support = 31.1:
          HN    VAL   75 - HG2   LYS+  74   2.95 +/- 0.64  99.844% * 99.4949% (0.84   5.54  31.08) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   8.97 +/- 1.28   0.143% *  0.4216% (0.98   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  19.32 +/- 2.58   0.009% *  0.0384% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  21.29 +/- 2.88   0.003% *  0.0451% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.85 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   3.59 +/- 0.10  99.976% * 95.5857% (0.84   0.34   0.34) =  99.999%  kept
          QD1   LEU  115 - HA    THR   77  15.23 +/- 1.85   0.024% *  4.4143% (0.65   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.15 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 = 38.3:
      O   HN    ASP-  78 - HB3   ASP-  78   2.88 +/- 0.57  99.938% * 99.9053% (0.95  10.0   3.95  38.34) = 100.000%  kept
          HN    VAL   75 - HB3   ASP-  78  10.26 +/- 0.58   0.062% *  0.0947% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2903 (8.53, 2.91, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 5.01, residual support = 38.3:
      O   HN    ASP-  78 - HB2   ASP-  78   2.51 +/- 0.46  99.964% * 99.9053% (0.95  10.0   5.01  38.34) = 100.000%  kept
          HN    VAL   75 - HB2   ASP-  78   9.76 +/- 0.58   0.036% *  0.0947% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2904 (2.14, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 54.2:
      O T HB3   GLU-  79 - HA    GLU-  79   2.74 +/- 0.17  99.977% * 99.1581% (1.00  10.0 10.00   4.25  54.20) = 100.000%  kept
        T HB2   GLN   90 - HA    GLU-  79  12.05 +/- 0.90   0.017% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU-  79  17.10 +/- 0.86   0.002% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  15.41 +/- 0.89   0.004% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  23.06 +/- 0.77   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  27.13 +/- 1.09   0.000% *  0.0221% (0.22   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 2905 (2.38, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.55, residual support = 54.2:
      O   QG    GLU-  79 - HB3   GLU-  79   2.40 +/- 0.15  99.992% * 99.5936% (0.98  10.0   3.55  54.20) = 100.000%  kept
          QG    GLU-  79 - HB2   GLN   90  12.78 +/- 0.82   0.005% *  0.0370% (0.36   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  18.54 +/- 1.01   0.001% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  20.79 +/- 1.07   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  20.16 +/- 1.03   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  17.76 +/- 1.12   0.001% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  25.90 +/- 1.84   0.000% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  20.63 +/- 1.33   0.000% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  26.47 +/- 1.87   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  24.34 +/- 2.30   0.000% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  24.97 +/- 1.33   0.000% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  27.78 +/- 1.87   0.000% *  0.0259% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2906 (2.90, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.967, support = 2.27, residual support = 5.49:
          HB2   ASP-  76 - HB3   GLU-  79   3.07 +/- 0.55  90.720% * 39.4373% (1.00  1.00   2.02   3.91) =  86.974%  kept
          HB2   ASP-  78 - HB3   GLU-  79   4.90 +/- 0.79   9.142% * 58.6070% (0.76  1.00   3.92  16.03) =  13.025%  kept
        T HB2   ASN   28 - HB3   GLU-  79  13.37 +/- 1.31   0.033% *  0.6858% (0.18 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HB2   GLN   90  10.73 +/- 1.46   0.077% *  0.1112% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB2   GLN   90  13.03 +/- 1.05   0.020% *  0.1452% (0.37  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   GLU-  79  17.02 +/- 1.68   0.005% *  0.0977% (0.25  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HB2   GLN   90  20.93 +/- 0.97   0.001% *  0.2548% (0.07 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   GLU-  79  26.35 +/- 0.73   0.000% *  0.3779% (0.97  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB3   GLU-  79  25.11 +/- 1.24   0.000% *  0.0775% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLN   90  31.35 +/- 0.85   0.000% *  0.1404% (0.36  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  24.72 +/- 1.48   0.000% *  0.0363% (0.09  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLN   90  27.93 +/- 1.90   0.000% *  0.0288% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 4.25, residual support = 54.2:
      O T HA    GLU-  79 - HB3   GLU-  79   2.74 +/- 0.17  96.760% * 98.8585% (0.80  10.0 10.00   4.25  54.20) =  99.999%  kept
          HB    THR   77 - HB2   GLN   90   5.85 +/- 1.16   2.418% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLN   90   6.79 +/- 0.73   0.587% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  79   7.94 +/- 0.27   0.183% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HB2   GLN   90  12.05 +/- 0.90   0.016% *  0.3673% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.88 +/- 0.62   0.011% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  16.25 +/- 1.17   0.003% *  0.1210% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  13.51 +/- 0.53   0.008% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  15.26 +/- 2.19   0.005% *  0.0434% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.20 +/- 1.82   0.002% *  0.1168% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  18.21 +/- 1.63   0.001% *  0.0450% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  14.73 +/- 0.74   0.004% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  20.66 +/- 1.29   0.001% *  0.0508% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  24.23 +/- 0.83   0.000% *  0.1071% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  19.76 +/- 1.46   0.001% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  26.30 +/- 4.29   0.000% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  27.89 +/- 1.31   0.000% *  0.0343% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  28.87 +/- 0.60   0.000% *  0.0398% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  25.72 +/- 1.54   0.000% *  0.0128% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  36.76 +/- 3.11   0.000% *  0.0102% (0.08   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 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.27, support = 3.96, residual support = 95.6:
      O T HA    GLN   90 - HB2   GLN   90   2.52 +/- 0.25  97.629% * 96.0605% (0.27  10.0 10.00   3.96  95.62) =  99.998%  kept
          HA    ALA   91 - HB2   GLN   90   5.00 +/- 0.26   2.316% *  0.0644% (0.18   1.0  1.00   0.02  31.90) =   0.002%
        T HA    GLN   90 - HB3   GLU-  79  11.27 +/- 0.84   0.016% *  2.5853% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   GLU-  79  12.92 +/- 2.12   0.015% *  0.1733% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   GLU-  79  11.13 +/- 0.98   0.019% *  0.0990% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  17.04 +/- 1.82   0.002% *  0.1105% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  21.84 +/- 3.01   0.000% *  0.2974% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  17.77 +/- 0.93   0.001% *  0.0856% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  21.05 +/- 1.28   0.000% *  0.1873% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  21.65 +/- 0.87   0.000% *  0.2303% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  19.98 +/- 2.01   0.001% *  0.0696% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  19.01 +/- 1.05   0.001% *  0.0368% (0.10   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 2909 (2.90, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 0.972, support = 2.1, residual support = 5.27:
          HB2   ASP-  76 - HB2   GLU-  79   3.01 +/- 0.57  93.128% * 36.6220% (1.00   1.85   3.91) =  88.823%  kept
          HB2   ASP-  78 - HB2   GLU-  79   5.26 +/- 0.70   6.839% * 62.7466% (0.76   4.13  16.03) =  11.177%  kept
          HB2   ASN   28 - HB2   GLU-  79  12.88 +/- 1.02   0.027% *  0.0697% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLU-  79  16.66 +/- 1.62   0.006% *  0.0992% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLU-  79  25.90 +/- 0.96   0.000% *  0.3839% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLU-  79  24.84 +/- 1.35   0.000% *  0.0787% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 5.33, residual support = 48.2:
          HN    LEU   80 - HB2   GLU-  79   2.40 +/- 0.58  99.971% * 98.5023% (0.61   5.33  48.19) = 100.000%  kept
          HN    SER   85 - HB2   GLU-  79  10.59 +/- 0.51   0.023% *  0.2969% (0.49   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLU-  79  15.40 +/- 1.70   0.004% *  0.2289% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLU-  79  17.05 +/- 0.90   0.001% *  0.5290% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLU-  79  18.83 +/- 0.83   0.001% *  0.4429% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 5.49, residual support = 48.2:
          HN    LEU   80 - HB3   GLU-  79   2.97 +/- 0.60  99.057% * 97.8889% (0.61   5.49  48.19) =  99.999%  kept
          HN    SER   85 - HB2   GLN   90   7.59 +/- 0.74   0.794% *  0.1063% (0.18   0.02   0.02) =   0.001%
          HN    SER   85 - HB3   GLU-  79  11.05 +/- 0.57   0.048% *  0.2860% (0.49   0.02   0.02) =   0.000%
          HN    LEU   80 - HB2   GLN   90  11.15 +/- 0.90   0.064% *  0.1324% (0.23   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   GLU-  79  15.37 +/- 1.56   0.011% *  0.2205% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLN   90  13.95 +/- 1.89   0.020% *  0.0819% (0.14   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  17.57 +/- 1.02   0.003% *  0.5096% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   GLU-  79  19.35 +/- 0.98   0.002% *  0.4266% (0.73   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  24.48 +/- 1.13   0.001% *  0.1893% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLN   90  25.82 +/- 0.89   0.000% *  0.1585% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.59, residual support = 95.6:
      O   HN    GLN   90 - HB2   GLN   90   3.58 +/- 0.46  99.597% * 98.6230% (0.23  10.0   5.59  95.62) =  99.999%  kept
          HN    GLN   90 - HB3   GLU-  79  12.18 +/- 1.57   0.148% *  0.2654% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS   22 - HB3   GLU-  79  11.21 +/- 1.34   0.209% *  0.0675% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB2   GLN   90  14.58 +/- 2.12   0.032% *  0.1458% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLU-  79  20.40 +/- 1.85   0.004% *  0.3925% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLU-  79  21.61 +/- 1.60   0.003% *  0.3504% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB2   GLN   90  20.17 +/- 1.83   0.005% *  0.1302% (0.30   1.0   0.02   0.02) =   0.000%
          HE1   HIS   22 - HB2   GLN   90  22.74 +/- 3.22   0.004% *  0.0251% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.09, residual support = 48.2:
          HN    LEU   80 - QG    GLU-  79   3.66 +/- 0.19  99.742% * 98.4344% (0.61   5.09  48.19) =  99.999%  kept
          HN    SER   85 - QG    GLU-  79  10.32 +/- 0.37   0.205% *  0.3103% (0.49   0.02   0.02) =   0.001%
          HN    GLN   32 - QG    GLU-  79  15.15 +/- 0.82   0.021% *  0.5530% (0.87   0.02   0.02) =   0.000%
          HN    CYS   53 - QG    GLU-  79  15.56 +/- 1.53   0.021% *  0.2393% (0.38   0.02   0.02) =   0.000%
          HN    ALA   34 - QG    GLU-  79  17.04 +/- 0.73   0.010% *  0.4630% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.45, residual support = 48.2:
      O   HN    LEU   80 - HA    GLU-  79   3.64 +/- 0.01  99.781% * 99.2120% (0.28  10.0   5.45  48.19) =  99.999%  kept
          HN    SER   85 - HA    GLU-  79  10.18 +/- 0.26   0.211% *  0.2980% (0.84   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HA    GLU-  79  19.05 +/- 0.73   0.005% *  0.3560% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    GLU-  79  21.16 +/- 0.69   0.003% *  0.1339% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.614, support = 4.14, residual support = 78.3:
      O   HB2   LEU   80 - QD2   LEU   80   2.54 +/- 0.41  29.643% * 71.2691% (0.87  10.0  1.00   3.89  78.25) =  51.788%  kept
      O   HG    LEU   80 - QD2   LEU   80   2.11 +/- 0.01  70.177% * 28.0259% (0.34  10.0  1.00   4.41  78.25) =  48.212%  kept
        T HB3   LEU   73 - QD2   LEU   80   6.64 +/- 0.91   0.090% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   80   6.94 +/- 0.96   0.071% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD2   LEU   80  10.28 +/- 1.03   0.006% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   80  11.47 +/- 1.30   0.003% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  11.39 +/- 1.03   0.003% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  12.58 +/- 1.72   0.002% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  15.75 +/- 2.32   0.001% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  12.43 +/- 1.35   0.002% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  14.83 +/- 1.78   0.001% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  20.17 +/- 2.53   0.000% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  15.70 +/- 1.73   0.001% *  0.0183% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  17.89 +/- 1.98   0.000% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  20.02 +/- 2.14   0.000% *  0.0144% (0.18   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 2916 (4.82, 0.59, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 4.61, residual support = 35.8:
          HA    THR   23 - QD2   LEU   80   2.90 +/- 0.48  59.301% * 35.7706% (0.99   3.75   6.02) =  55.490%  kept
          HA    LEU   80 - QD2   LEU   80   3.36 +/- 0.84  31.580% * 49.8418% (0.87   5.98  78.25) =  41.175%  kept
          HB    THR   23 - QD2   LEU   80   4.22 +/- 0.87   9.008% * 14.1475% (0.73   2.03   6.02) =   3.334%  kept
          HA    ASP-  78 - QD2   LEU   80   7.91 +/- 0.38   0.109% *  0.1540% (0.80   0.02   2.52) =   0.000%
          HA    ASP- 105 - QD2   LEU   80  16.05 +/- 1.19   0.002% *  0.0862% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.773, support = 4.45, residual support = 14.9:
          HE3   TRP   27 - QD2   LEU   80   3.90 +/- 1.50  47.837% * 55.9590% (0.92   4.58  14.10) =  71.556%  kept
          HN    THR   23 - QD2   LEU   80   4.30 +/- 0.72  34.597% * 17.5527% (0.41   3.23   6.02) =  16.233%  kept
          HN    LYS+  81 - QD2   LEU   80   5.21 +/- 0.75  17.499% * 26.1045% (0.38   5.26  30.99) =  12.211%  kept
          QE    PHE   95 - QD2   LEU   80  11.44 +/- 1.23   0.058% *  0.1186% (0.45   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   80  16.67 +/- 1.58   0.005% *  0.2294% (0.87   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   80  17.27 +/- 1.09   0.004% *  0.0358% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 2.93, residual support = 10.2:
          HN    VAL   24 - QD2   LEU   80   2.40 +/- 0.44  99.942% * 99.5102% (0.31   2.93  10.18) = 100.000%  kept
          HN    VAL   43 - QD2   LEU   80   9.08 +/- 1.00   0.058% *  0.4898% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.314, support = 3.54, residual support = 23.9:
          HN    LYS+  81 - QD1   LEU   80   4.18 +/- 0.55  37.604% * 55.5348% (0.24   4.86  30.99) =  65.521%  kept
          HE3   TRP   27 - QD1   LEU   80   5.37 +/- 1.66  20.441% * 30.0095% (0.60   1.07  14.10) =  19.246%  kept
          HN    THR   23 - QD1   LEU   80   4.32 +/- 1.08  38.858% * 12.4706% (0.27   1.00   6.02) =  15.204%  kept
          HE3   TRP   27 - QD2   LEU   98   6.93 +/- 1.41   2.530% *  0.3219% (0.34   0.02   0.02) =   0.026%
          QE    PHE   95 - QD2   LEU   98   9.37 +/- 1.61   0.404% *  0.1564% (0.17   0.02   0.02) =   0.002%
          QE    PHE   95 - QD1   LEU   80  12.04 +/- 1.53   0.051% *  0.2728% (0.29   0.02   0.02) =   0.000%
          HN    THR   23 - QD2   LEU   98  12.33 +/- 1.16   0.045% *  0.1434% (0.15   0.02   0.02) =   0.000%
          QD    PHE   55 - QD1   LEU   80  16.60 +/- 1.94   0.009% *  0.5278% (0.56   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU   98  13.77 +/- 1.50   0.025% *  0.1309% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   98  17.00 +/- 1.60   0.008% *  0.3025% (0.32   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   98  13.99 +/- 1.06   0.020% *  0.0472% (0.05   0.02   0.02) =   0.000%
          HN    LEU   67 - QD1   LEU   80  18.09 +/- 0.83   0.004% *  0.0823% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 5.44, residual support = 107.4:
          HN    LYS+  81 - QG    LYS+  81   2.19 +/- 0.20  99.964% * 98.6910% (0.87   5.44 107.43) = 100.000%  kept
          HE3   TRP   27 - HG2   LYS+  33  11.28 +/- 2.38   0.018% *  0.0898% (0.21   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  11.24 +/- 1.67   0.008% *  0.1876% (0.45   0.02   0.02) =   0.000%
          QD    PHE   60 - QG    LYS+  81  14.95 +/- 0.82   0.001% *  0.2201% (0.53   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+ 106  12.77 +/- 1.12   0.003% *  0.0484% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+  33  15.50 +/- 1.58   0.001% *  0.1054% (0.25   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  18.31 +/- 1.74   0.000% *  0.1570% (0.38   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  14.99 +/- 1.41   0.001% *  0.0413% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  20.95 +/- 1.16   0.000% *  0.1737% (0.42   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.18 +/- 1.69   0.001% *  0.0345% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  19.93 +/- 1.65   0.000% *  0.0798% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  17.98 +/- 2.41   0.001% *  0.0271% (0.06   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  18.93 +/- 2.56   0.001% *  0.0125% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  24.23 +/- 0.81   0.000% *  0.0566% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  26.37 +/- 1.60   0.000% *  0.0752% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.758, residual support = 1.52:
          HN    GLU-  79 - QG    LYS+  81   3.84 +/- 0.26  99.247% * 93.9671% (0.65   0.76   1.52) =  99.996%  kept
          HN    VAL   70 - HG2   LYS+  33  12.20 +/- 2.57   0.296% *  0.7544% (0.20   0.02   0.02) =   0.002%
          HN    THR   94 - QG    LYS+  81  12.41 +/- 1.20   0.100% *  0.9557% (0.25   0.02   0.02) =   0.001%
          HN    THR   94 - HG2   LYS+ 106  10.47 +/- 0.96   0.321% *  0.2103% (0.05   0.02   0.72) =   0.001%
          HN    VAL   70 - HG2   LYS+ 106  17.42 +/- 1.76   0.018% *  0.3467% (0.09   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+  33  20.64 +/- 0.96   0.005% *  1.1871% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+ 106  19.73 +/- 1.44   0.006% *  0.5455% (0.14   0.02   0.02) =   0.000%
          HN    VAL   70 - QG    LYS+  81  23.86 +/- 0.47   0.002% *  1.5757% (0.41   0.02   0.02) =   0.000%
          HN    THR   94 - HG2   LYS+  33  20.90 +/- 1.68   0.005% *  0.4576% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.21, residual support = 107.4:
      O   HN    LYS+  81 - QB    LYS+  81   2.44 +/- 0.12  98.332% * 99.1682% (0.38  10.0   5.21 107.43) = 100.000%  kept
          QD    PHE   55 - HB3   PRO   52   5.49 +/- 0.84   1.409% *  0.0263% (0.10   1.0   0.02   0.38) =   0.000%
          QE    PHE   95 - HB3   PRO   52  10.69 +/- 2.94   0.228% *  0.0136% (0.05   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    LYS+  81  11.64 +/- 1.59   0.013% *  0.2439% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - QB    LYS+  81  10.79 +/- 0.75   0.015% *  0.1086% (0.41   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    LYS+  81  16.33 +/- 1.27   0.001% *  0.1185% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    LYS+  81  19.40 +/- 1.82   0.001% *  0.2292% (0.87   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  20.28 +/- 1.89   0.000% *  0.0280% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  19.16 +/- 1.95   0.001% *  0.0114% (0.04   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  20.82 +/- 2.00   0.000% *  0.0125% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  25.26 +/- 0.63   0.000% *  0.0358% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  21.95 +/- 0.95   0.000% *  0.0041% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 5.29, residual support = 107.4:
      O   HN    LYS+  81 - HA    LYS+  81   2.79 +/- 0.06  99.961% * 99.8291% (0.87  10.0   5.29 107.43) = 100.000%  kept
          HE3   TRP   27 - HA    LYS+  81  11.37 +/- 1.84   0.035% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   60 - HA    LYS+  81  15.96 +/- 0.96   0.003% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  19.78 +/- 1.91   0.001% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  26.23 +/- 1.03   0.000% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.807, support = 2.26, residual support = 9.47:
          HA    ASP-  78 - QG    LYS+  81   3.26 +/- 0.55  78.623% * 37.5812% (0.98   1.18   0.83) =  71.344%  kept
          HA    LEU   80 - QG    LYS+  81   4.36 +/- 0.26  19.604% * 60.5135% (0.38   4.96  30.99) =  28.644%  kept
          HA    THR   23 - QG    LYS+  81   7.98 +/- 0.72   0.616% *  0.4968% (0.76   0.02   0.02) =   0.007%
          HB    THR   23 - QG    LYS+  81   7.95 +/- 1.26   0.981% *  0.1621% (0.25   0.02   0.02) =   0.004%
          HA    PHE   45 - QG    LYS+  81   9.77 +/- 0.73   0.113% *  0.1003% (0.15   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+  33  14.93 +/- 0.91   0.010% *  0.2378% (0.37   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+ 106  13.06 +/- 1.26   0.031% *  0.0221% (0.03   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+  33  15.97 +/- 1.10   0.007% *  0.0776% (0.12   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+  33  18.44 +/- 1.14   0.003% *  0.1168% (0.18   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+ 106  19.75 +/- 1.42   0.002% *  0.1093% (0.17   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+ 106  20.70 +/- 1.63   0.001% *  0.1402% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+  33  23.92 +/- 0.96   0.001% *  0.3051% (0.47   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+  33  18.10 +/- 1.21   0.004% *  0.0480% (0.07   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+ 106  19.07 +/- 1.67   0.003% *  0.0537% (0.08   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+ 106  21.75 +/- 1.72   0.001% *  0.0357% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2925 (9.48, 3.99, 61.93 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2926 (8.66, 3.85, 61.93 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 3.71, residual support = 34.9:
      O   HN    SER   82 - HB3   SER   82   2.99 +/- 0.31  99.999% * 99.5254% (0.41  10.0   3.71  34.86) = 100.000%  kept
          HN    GLY   16 - HB3   SER   82  25.67 +/- 1.91   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB3   SER   82  28.12 +/- 1.65   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.367, support = 3.36, residual support = 15.4:
      O   HN    TRP   49 - HA    SER   48   3.55 +/- 0.06  30.296% * 85.5251% (0.40  10.0   3.24  14.67) =  80.522%  kept
          HN    VAL   83 - HB2   SER   82   3.22 +/- 0.16  55.406% * 10.4209% (0.24   1.0   4.10  20.14) =  17.943%  kept
          HN    CYS   50 - HA    SER   48   4.13 +/- 0.41  14.204% *  3.4781% (0.36   1.0   0.90   0.02) =   1.535%  kept
          HE22  GLN   30 - HA    VAL   70  10.26 +/- 1.53   0.076% *  0.0241% (0.11   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HB2   SER   82  16.41 +/- 2.39   0.005% *  0.0695% (0.32   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB2   SER   82  17.76 +/- 1.18   0.002% *  0.1558% (0.72   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HB2   SER   82  18.63 +/- 1.24   0.002% *  0.1400% (0.65   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    SER   48  14.87 +/- 1.48   0.007% *  0.0279% (0.13   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    SER   48  20.92 +/- 1.75   0.001% *  0.0382% (0.18   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  24.60 +/- 0.85   0.000% *  0.0486% (0.23   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  25.82 +/- 0.83   0.000% *  0.0541% (0.25   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  21.56 +/- 0.82   0.001% *  0.0176% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 4.32, residual support = 34.9:
      O   HN    SER   82 - HB2   SER   82   2.28 +/- 0.51  99.949% * 99.0159% (0.39  10.0   4.32  34.86) = 100.000%  kept
          HN    GLY   16 - HA    VAL   70   9.58 +/- 1.84   0.042% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    VAL   70  16.81 +/- 2.35   0.004% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    SER   48  14.51 +/- 1.57   0.004% *  0.0544% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  22.86 +/- 2.14   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    SER   48  23.11 +/- 1.76   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HB2   SER   82  26.01 +/- 1.88   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB2   SER   82  28.68 +/- 1.51   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  23.80 +/- 0.79   0.000% *  0.0344% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 5.35, residual support = 43.7:
          HN    ALA   84 - HB    VAL   83   3.20 +/- 0.37  99.991% * 98.8160% (0.44   5.35  43.70) = 100.000%  kept
          HE21  GLN   32 - HB    VAL   83  18.69 +/- 1.74   0.004% *  0.6812% (0.80   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB    VAL   83  20.88 +/- 2.60   0.002% *  0.3697% (0.44   0.02   0.02) =   0.000%
          HN    ILE   56 - HB    VAL   83  19.35 +/- 1.75   0.003% *  0.1330% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.77, residual support = 87.5:
      O   HN    VAL   83 - HB    VAL   83   2.45 +/- 0.54  99.994% * 99.8243% (0.65  10.0   4.77  87.48) = 100.000%  kept
          HN    CYS   50 - HB    VAL   83  15.79 +/- 1.59   0.003% *  0.1375% (0.90   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB    VAL   83  15.45 +/- 1.50   0.003% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 0.0199, residual support = 0.0199:
          HZ2   TRP   87 - HA    ALA   84   7.79 +/- 0.82  84.903% * 31.7530% (0.96   0.02   0.02) =  87.603%  kept
          HD21  ASN   28 - HA    ALA   84  11.54 +/- 1.55   9.792% * 30.7120% (0.93   0.02   0.02) =   9.772%  kept
          QE    PHE   60 - HA    ALA   84  13.55 +/- 1.13   4.181% * 16.7431% (0.51   0.02   0.02) =   2.275%  kept
          HN    ILE   56 - HA    ALA   84  17.70 +/- 1.32   0.853% *  8.8482% (0.27   0.02   0.02) =   0.245%
          HN    LEU   63 - HA    ALA   84  20.78 +/- 0.94   0.271% * 11.9438% (0.36   0.02   0.02) =   0.105%
    Distance limit 3.46 A violated in 20 structures by 4.12 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 0.428, residual support = 0.913:
          QE    PHE   45 - HA    ALA   84   4.37 +/- 0.93  99.926% * 92.8506% (0.81   0.43   0.91) =  99.996%  kept
          QD    PHE   72 - HA    ALA   84  16.42 +/- 0.80   0.061% *  5.0136% (0.93   0.02   0.02) =   0.003%
          HZ    PHE   72 - HA    ALA   84  20.84 +/- 1.63   0.013% *  2.1358% (0.40   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 6 structures by 0.56 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 = 1.27, residual support = 10.6:
          HB    ILE   89 - HA    ALA   84   2.53 +/- 0.63  99.991% * 98.3402% (0.91   1.27  10.64) = 100.000%  kept
          QG1   ILE   56 - HA    ALA   84  15.33 +/- 1.86   0.008% *  0.7335% (0.43   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ALA   84  19.89 +/- 1.68   0.001% *  0.9263% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.717, support = 3.35, residual support = 35.8:
          QG2   VAL   83 - HA    ALA   84   3.35 +/- 0.27  76.359% * 49.6475% (0.66   3.56  43.70) =  76.183%  kept
          QD1   ILE   89 - HA    ALA   84   4.21 +/- 0.49  23.585% * 50.2511% (0.89   2.68  10.64) =  23.817%  kept
          QD2   LEU   31 - HA    ALA   84  11.75 +/- 1.15   0.056% *  0.1013% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 2.67, residual support = 10.6:
          HG13  ILE   89 - HA    ALA   84   3.67 +/- 1.70 100.000% *100.0000% (0.55   2.67  10.64) = 100.000%  kept
    Distance limit 3.78 A violated in 8 structures by 0.78 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.724, support = 3.71, residual support = 34.9:
          QG2   VAL   83 - QB    ALA   84   3.89 +/- 0.41  74.735% * 47.5453% (0.66  1.00   3.91  43.70) =  73.313%  kept
          QD1   ILE   89 - QB    ALA   84   4.81 +/- 0.52  25.077% * 51.5730% (0.89  1.00   3.16  10.64) =  26.683%  kept
        T QD2   LEU   31 - QB    ALA   84  10.95 +/- 0.83   0.188% *  0.8817% (0.24 10.00   0.02   0.02) =   0.003%
    Distance limit 3.79 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.3, residual support = 10.6:
          HG13  ILE   89 - QB    ALA   84   4.63 +/- 1.38 100.000% *100.0000% (0.55   3.30  10.64) = 100.000%  kept
    Distance limit 3.71 A violated in 8 structures by 1.05 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 0.485, residual support = 0.913:
          QD    PHE   45 - QB    ALA   84   5.09 +/- 0.80  99.928% * 98.5070% (0.87   0.48   0.91) =  99.999%  kept
          HD2   HIS  122 - QB    ALA   84  18.92 +/- 1.98   0.056% *  0.7937% (0.17   0.02   0.02) =   0.000%
          HE22  GLN  116 - QB    ALA   84  22.60 +/- 1.73   0.016% *  0.6993% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 12 structures by 1.16 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 = 0.659, support = 0.02, residual support = 0.02:
          HN    TRP   49 - QB    ALA   84  10.47 +/- 1.02  84.236% * 28.9138% (0.59   0.02   0.02) =  77.589%  kept
          HE22  GLN   30 - QB    ALA   84  14.86 +/- 1.78  14.725% * 46.0056% (0.93   0.02   0.02) =  21.581%  kept
          HD22  ASN   69 - QB    ALA   84  22.44 +/- 1.24   1.039% * 25.0806% (0.51   0.02   0.02) =   0.830%  kept
    Distance limit 4.14 A violated in 20 structures by 5.99 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 = 18.1:
      O   HN    SER   85 - QB    SER   85   2.18 +/- 0.03  99.985% * 99.7822% (0.99  10.0   3.15  18.15) = 100.000%  kept
          HN    SER   85 - QB    SER   48  13.24 +/- 1.66   0.003% *  0.0243% (0.24   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  13.30 +/- 0.90   0.002% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  17.78 +/- 1.45   0.000% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  11.21 +/- 0.90   0.006% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  13.07 +/- 1.27   0.003% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  19.84 +/- 1.22   0.000% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  22.72 +/- 1.52   0.000% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  22.75 +/- 1.45   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  24.18 +/- 1.63   0.000% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  21.96 +/- 1.82   0.000% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  23.54 +/- 1.42   0.000% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 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   2.99 +/- 0.06  99.890% * 97.6196% (0.87   3.33  13.43) = 100.000%  kept
          HN    GLU-  29 - QB    SER   85  15.45 +/- 1.25   0.006% *  0.6619% (0.98   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   85  16.23 +/- 1.20   0.004% *  0.5407% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER   48  14.75 +/- 1.73   0.011% *  0.1428% (0.21   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  10.38 +/- 1.07   0.073% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER   48  19.67 +/- 1.67   0.002% *  0.1614% (0.24   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   48  19.58 +/- 1.63   0.002% *  0.1318% (0.20   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  16.66 +/- 2.38   0.006% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  21.98 +/- 1.44   0.001% *  0.0904% (0.13   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  23.45 +/- 3.76   0.001% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  22.32 +/- 0.95   0.001% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  23.43 +/- 1.46   0.000% *  0.0834% (0.12   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  18.06 +/- 1.01   0.002% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER  117  25.30 +/- 1.37   0.000% *  0.1021% (0.15   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  27.67 +/- 1.54   0.000% *  0.1503% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  23.94 +/- 3.19   0.001% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  23.51 +/- 1.92   0.000% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  25.19 +/- 1.61   0.000% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 2.9, residual support = 16.1:
      O   HN    SER  117 - QB    SER  117   2.16 +/- 0.10  99.999% * 98.5738% (0.12  10.0   2.90  16.10) = 100.000%  kept
          HN    SER  117 - QB    SER   85  24.21 +/- 1.16   0.000% *  0.6389% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - QB    SER   48  21.83 +/- 1.54   0.000% *  0.1558% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   85  25.78 +/- 1.22   0.000% *  0.4517% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  19.78 +/- 1.72   0.000% *  0.0697% (0.09   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   48  21.98 +/- 2.30   0.000% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2943 (8.05, 4.28, 61.37 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 18.1:
      O   HN    SER   85 - HA    SER   85   2.83 +/- 0.02  99.988% * 99.8725% (0.99  10.0   3.65  18.15) = 100.000%  kept
          HN    THR   94 - HA    SER   85  13.19 +/- 0.98   0.011% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  20.57 +/- 1.54   0.001% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  22.44 +/- 1.30   0.000% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2944 (8.31, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.56, residual support = 41.6:
      O   HN    ASP-  86 - HB3   ASP-  86   2.81 +/- 0.58  99.958% * 99.6620% (0.95  10.0   3.56  41.62) = 100.000%  kept
          HN    GLN   30 - HB3   ASP-  86  13.92 +/- 1.50   0.011% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   ASP-  86  13.51 +/- 1.56   0.013% *  0.0596% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASP-  86  14.93 +/- 2.08   0.015% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  21.84 +/- 4.96   0.002% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  27.40 +/- 2.06   0.000% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2945 (8.32, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.99, residual support = 41.6:
      O   HN    ASP-  86 - HB2   ASP-  86   2.47 +/- 0.22  99.986% * 99.2641% (0.49  10.0   4.99  41.62) = 100.000%  kept
          HN    LYS+  99 - HB2   ASP-  86  14.82 +/- 2.35   0.004% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   ASP-  86  13.93 +/- 1.34   0.004% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  13.67 +/- 1.35   0.005% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASP-  86  21.17 +/- 4.77   0.001% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  26.91 +/- 1.91   0.000% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.406, support = 3.62, residual support = 22.5:
          HD1   TRP   87 - HB2   ASP-  86   3.26 +/- 0.31  91.594% * 36.6971% (0.38   3.60  22.49) =  86.884%  kept
          HE3   TRP   87 - HB2   ASP-  86   5.24 +/- 0.63   8.242% * 61.5566% (0.61   3.74  22.49) =  13.114%  kept
          HN    ALA   91 - HB2   ASP-  86  10.58 +/- 0.59   0.091% *  0.5132% (0.95   0.02   0.02) =   0.001%
          HN    TRP   27 - HB2   ASP-  86  11.70 +/- 1.21   0.070% *  0.5235% (0.97   0.02   0.02) =   0.001%
          HN    ALA   61 - HB2   ASP-  86  20.96 +/- 1.01   0.001% *  0.4865% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASP-  86  20.35 +/- 1.48   0.002% *  0.2230% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2947 (3.83, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.223, support = 2.25, residual support = 10.8:
        T HA    VAL   83 - HB2   ASP-  86   2.64 +/- 0.68  99.326% * 98.2344% (0.22 10.00   2.25  10.83) =  99.999%  kept
          HB3   SER   82 - HB2   ASP-  86   6.36 +/- 0.95   0.656% *  0.1814% (0.41  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HB2   ASP-  86  16.22 +/- 1.33   0.006% *  0.4258% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   ASP-  86  18.32 +/- 1.49   0.002% *  0.3957% (0.90  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB2   ASP-  86  17.17 +/- 2.37   0.007% *  0.0873% (0.20  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   ASP-  86  20.16 +/- 1.71   0.001% *  0.4073% (0.92  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  19.68 +/- 1.37   0.002% *  0.0681% (0.15  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   ASP-  86  23.00 +/- 1.16   0.000% *  0.1227% (0.28  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  25.93 +/- 2.55   0.000% *  0.0773% (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 2948 (8.32, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.05, residual support = 41.6:
      O   HN    ASP-  86 - HA    ASP-  86   2.73 +/- 0.02  99.990% * 99.2641% (0.49  10.0   4.05  41.62) = 100.000%  kept
          HN    LYS+  99 - HA    ASP-  86  16.39 +/- 2.40   0.003% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    ASP-  86  16.17 +/- 1.50   0.003% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  15.63 +/- 1.55   0.003% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASP-  86  23.44 +/- 4.93   0.000% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASP-  86  29.69 +/- 2.02   0.000% *  0.2039% (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 2949 (7.72, 4.34, 57.63 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.5, residual support = 74.0:
          HE3   TRP   87 - HA    TRP   87   3.24 +/- 0.15  99.835% * 98.5592% (0.99   3.51  74.03) =  99.999%  kept
          HN    ALA   91 - HA    TRP   87   9.78 +/- 0.77   0.154% *  0.4922% (0.87   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    TRP   87  15.56 +/- 1.30   0.010% *  0.2985% (0.53   0.02   6.12) =   0.000%
          HN    ALA   61 - HA    TRP   87  21.45 +/- 1.01   0.001% *  0.5238% (0.92   0.02   0.02) =   0.000%
          HN    GLN   17 - HA    TRP   87  25.24 +/- 1.33   0.000% *  0.1263% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.19, residual support = 74.0:
      O   HE3   TRP   87 - HB2   TRP   87   2.48 +/- 0.05  99.954% * 99.7445% (0.99  10.0   3.19  74.03) = 100.000%  kept
          HN    ALA   91 - HB2   TRP   87   9.27 +/- 0.81   0.043% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   TRP   87  14.85 +/- 1.42   0.003% *  0.0529% (0.53   1.0   0.02   6.12) =   0.000%
          HN    ALA   61 - HB2   TRP   87  19.40 +/- 1.10   0.000% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB2   TRP   87  23.41 +/- 1.41   0.000% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 3.19, residual support = 74.0:
      O   HE3   TRP   87 - HB3   TRP   87   4.03 +/- 0.04  97.464% * 99.7445% (0.99  10.0   3.19  74.03) =  99.998%  kept
          HN    ALA   91 - HB3   TRP   87   7.68 +/- 0.78   2.464% *  0.0873% (0.87   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HB3   TRP   87  14.36 +/- 1.39   0.059% *  0.0529% (0.53   1.0   0.02   6.12) =   0.000%
          HN    ALA   61 - HB3   TRP   87  18.76 +/- 0.95   0.010% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB3   TRP   87  23.04 +/- 1.21   0.003% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 1 structures by 0.83 A, kept.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.899, support = 1.94, residual support = 16.8:
          QD1   ILE   89 - HB2   TRP   87   3.13 +/- 0.40  97.039% * 56.4557% (0.90   1.95  16.88) =  97.794%  kept
          QG2   VAL   83 - HB2   TRP   87   5.82 +/- 0.52   2.867% * 43.0759% (1.00   1.34  15.32) =   2.205%  kept
          QD2   LEU   31 - HB2   TRP   87  11.02 +/- 1.41   0.094% *  0.4684% (0.73   0.02   1.75) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2953 (0.11, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 3.51, residual support = 16.9:
        T QD1   ILE   89 - HB3   TRP   87   2.09 +/- 0.28  99.346% * 99.8495% (0.45 10.00   3.51  16.88) = 100.000%  kept
          QG2   VAL   83 - HB3   TRP   87   5.05 +/- 0.56   0.575% *  0.0496% (0.22  1.00   0.02  15.32) =   0.000%
          QG2   VAL   75 - HB3   TRP   87   7.58 +/- 1.17   0.074% *  0.0619% (0.28  1.00   0.02   0.02) =   0.000%
          QG2   VAL   42 - HB3   TRP   87  12.00 +/- 1.05   0.005% *  0.0390% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.223, support = 0.75, residual support = 16.9:
          HG12  ILE   89 - HB3   TRP   87   2.88 +/- 0.88  99.401% * 54.8868% (0.22   0.75  16.88) =  99.943%  kept
          QB    ALA   91 - HB3   TRP   87   7.70 +/- 1.38   0.478% *  5.7027% (0.87   0.02   0.02) =   0.050%
          QG2   ILE   56 - HB3   TRP   87  13.37 +/- 1.81   0.063% *  2.7027% (0.41   0.02   0.02) =   0.003%
          HG2   LYS+  74 - HB3   TRP   87  14.10 +/- 1.23   0.017% *  5.8960% (0.90   0.02   0.02) =   0.002%
          QG2   THR   39 - HB3   TRP   87  17.55 +/- 1.22   0.004% *  5.7027% (0.87   0.02   0.02) =   0.000%
          QB    ALA   34 - HB3   TRP   87  14.49 +/- 1.19   0.012% *  1.6393% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB3   TRP   87  17.74 +/- 2.40   0.017% *  1.1513% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB3   TRP   87  18.75 +/- 2.06   0.003% *  6.0688% (0.92   0.02   0.02) =   0.000%
          HG    LEU   71 - HB3   TRP   87  18.32 +/- 1.57   0.003% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   TRP   87  20.28 +/- 1.22   0.002% *  6.5596% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB3   TRP   87  23.56 +/- 2.35   0.001% *  3.9875% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 11.5:
      O   HN    ALA   88 - HA    ALA   88   2.23 +/- 0.01  99.999% * 99.0353% (0.38  10.0   1.63  11.50) = 100.000%  kept
          HN    LEU   31 - HA    ALA   88  19.41 +/- 1.36   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ALA   88  20.77 +/- 1.56   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ALA   88  19.87 +/- 1.66   0.000% *  0.1449% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  24.73 +/- 0.68   0.000% *  0.2589% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 1.91, residual support = 11.5:
      O   HN    ALA   88 - QB    ALA   88   2.91 +/- 0.08  99.990% * 99.1749% (0.38  10.0   1.91  11.50) = 100.000%  kept
          HN    PHE   55 - QB    ALA   88  17.30 +/- 1.51   0.003% *  0.2399% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   88  17.05 +/- 1.22   0.003% *  0.2399% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - QB    ALA   88  16.78 +/- 1.62   0.004% *  0.1240% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA   88  20.72 +/- 0.73   0.001% *  0.2214% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2957 (0.10, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.98, residual support = 216.2:
          QD1   ILE   89 - HA    ILE   89   2.48 +/- 0.55  99.381% * 99.6619% (0.92   5.98 216.15) =  99.998%  kept
          QG2   VAL   83 - HA    ILE   89   6.59 +/- 0.56   0.612% *  0.2481% (0.69   0.02   0.02) =   0.002%
          QD2   LEU   31 - HA    ILE   89  13.88 +/- 1.33   0.007% *  0.0901% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.45, residual support = 41.2:
      O   HN    GLN   90 - HA    ILE   89   2.91 +/- 0.56  99.850% * 99.8365% (0.99  10.0   6.45  41.20) = 100.000%  kept
          HN    SER   82 - HA    ILE   89  10.97 +/- 0.30   0.057% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    ILE   89  11.01 +/- 2.02   0.073% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA    ILE   89  14.97 +/- 2.35   0.020% *  0.0903% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 6.02, residual support = 216.2:
      O   HN    ILE   89 - HA    ILE   89   2.68 +/- 0.16  99.997% * 99.6601% (0.76  10.0   6.02 216.15) = 100.000%  kept
          HN    CYS   21 - HA    ILE   89  16.83 +/- 1.52   0.002% *  0.1170% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ILE   89  18.89 +/- 1.33   0.001% *  0.1234% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  25.85 +/- 1.57   0.000% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  22.51 +/- 1.60   0.000% *  0.0258% (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 2960 (7.73, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.933, support = 2.46, residual support = 7.98:
          HN    ALA   91 - HA    ILE   89   3.73 +/- 0.54  88.016% * 82.2283% (0.95   2.49   7.77) =  97.648%  kept
          HD1   TRP   87 - HA    ILE   89   5.34 +/- 0.52  11.037% * 15.7598% (0.38   1.20  16.88) =   2.347%  kept
          HE3   TRP   87 - HA    ILE   89   8.13 +/- 0.36   0.923% *  0.4238% (0.61   0.02  16.88) =   0.005%
          HN    TRP   27 - HA    ILE   89  16.27 +/- 1.56   0.015% *  0.6743% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE   89  18.45 +/- 0.92   0.007% *  0.6266% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE   89  24.37 +/- 1.54   0.001% *  0.2872% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.739, support = 5.31, residual support = 216.1:
      O T QD1   ILE   89 - HB    ILE   89   2.83 +/- 0.46  88.533% * 99.6065% (0.74  10.0 10.00   5.31 216.15) =  99.988%  kept
        T QD1   ILE   89 - HB    VAL   43   6.77 +/- 1.88   2.366% *  0.2175% (0.16   1.0 10.00   0.02   0.02) =   0.006%
          QG2   VAL   83 - HB    ILE   89   4.60 +/- 0.53   6.710% *  0.0741% (0.55   1.0  1.00   0.02   0.02) =   0.006%
        T QD2   LEU   31 - HB    VAL   43   6.40 +/- 0.82   0.954% *  0.0588% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB    VAL   43   5.99 +/- 0.93   1.420% *  0.0162% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    ILE   89  12.47 +/- 0.90   0.017% *  0.0269% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 216.2:
      O T HG13  ILE   89 - HB    ILE   89   2.53 +/- 0.23  99.894% * 99.7821% (0.78  10.0 10.00   4.97 216.15) = 100.000%  kept
        T HG13  ILE   89 - HB    VAL   43   8.58 +/- 1.84   0.106% *  0.2179% (0.17   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 2963 (7.92, 1.74, 34.76 ppm):
    10 chemical-shift based assignments, quality = 0.612, support = 5.59, residual support = 216.2:
      O   HN    ILE   89 - HB    ILE   89   2.51 +/- 0.39  99.883% * 99.5645% (0.61  10.0   5.59 216.15) = 100.000%  kept
          HN    CYS   21 - HB    VAL   43   9.77 +/- 0.98   0.051% *  0.0255% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    VAL   43  10.38 +/- 1.11   0.046% *  0.0217% (0.13   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    ILE   89  14.92 +/- 1.21   0.005% *  0.1168% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  14.54 +/- 1.86   0.005% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    ILE   89  19.55 +/- 1.75   0.001% *  0.1232% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  13.15 +/- 0.86   0.007% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  15.96 +/- 0.73   0.002% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  24.39 +/- 0.81   0.000% *  0.0738% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  20.69 +/- 1.07   0.000% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.01 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   9.78 +/- 0.84 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.48 A violated in 20 structures by 6.30 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 0.639, residual support = 16.9:
          HD1   TRP   87 - QG2   ILE   89   4.13 +/- 0.16  99.638% * 90.9391% (0.95   0.64  16.88) =  99.995%  kept
          HN    TRP   27 - QG2   ILE   89  11.77 +/- 1.21   0.299% *  1.0265% (0.34   0.02   0.02) =   0.003%
          HN    LYS+ 102 - QG2   ILE   89  15.35 +/- 1.26   0.044% *  2.4097% (0.80   0.02   0.02) =   0.001%
          HN    THR   39 - QG2   ILE   89  19.21 +/- 0.60   0.011% *  2.7780% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   ILE   89  20.05 +/- 0.85   0.008% *  2.8467% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 1 structures by 0.61 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 7.31, residual support = 41.2:
          HN    GLN   90 - QG2   ILE   89   2.72 +/- 0.78  99.644% * 99.1956% (0.61   7.31  41.20) =  99.999%  kept
          HN    SER   82 - QG2   ILE   89   8.14 +/- 0.35   0.321% *  0.4132% (0.92   0.02   0.02) =   0.001%
          HN    ILE  103 - QG2   ILE   89  12.76 +/- 1.14   0.023% *  0.1840% (0.41   0.02   0.02) =   0.000%
          HN    SER  117 - QG2   ILE   89  15.65 +/- 1.30   0.009% *  0.0691% (0.15   0.02   0.02) =   0.000%
          HN    GLY   16 - QG2   ILE   89  19.17 +/- 0.81   0.002% *  0.1382% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 0.75, residual support = 7.71:
        T HB2   PHE   45 - QG2   ILE   89   4.11 +/- 0.51  99.303% * 99.5807% (0.97 10.00   0.75   7.71) =  99.999%  kept
          HB2   CYS   21 - QG2   ILE   89  11.61 +/- 1.64   0.510% *  0.1448% (0.53  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 111 - QG2   ILE   89  12.95 +/- 2.24   0.187% *  0.2745% (1.00  1.00   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 2 structures by 0.31 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.201, support = 5.36, residual support = 37.8:
          QG    GLN   90 - QG2   ILE   89   4.24 +/- 0.48  66.242% * 77.9514% (0.15   5.82  41.20) =  91.814%  kept
          HG2   MET   92 - QG2   ILE   89   5.90 +/- 1.76  30.689% * 14.9361% (0.73   0.24   0.02) =   8.150%  kept
          HB2   GLU-  79 - QG2   ILE   89   8.80 +/- 0.99   0.929% *  0.9827% (0.57   0.02   0.02) =   0.016%
          HG2   PRO   52 - QG2   ILE   89   8.76 +/- 1.39   1.066% *  0.3864% (0.22   0.02   0.02) =   0.007%
          HB2   ASP-  44 - QG2   ILE   89   8.78 +/- 0.75   0.780% *  0.4826% (0.28   0.02   0.02) =   0.007%
          QG    GLU- 114 - QG2   ILE   89  11.55 +/- 1.88   0.215% *  1.1229% (0.65   0.02   0.02) =   0.004%
          HB3   PHE   72 - QG2   ILE   89  13.26 +/- 0.71   0.058% *  0.3435% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE   89  18.41 +/- 1.66   0.009% *  0.6514% (0.38   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE   89  19.03 +/- 1.82   0.007% *  0.4328% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG2   ILE   89  22.40 +/- 0.97   0.003% *  1.2604% (0.73   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE   89  24.28 +/- 2.43   0.002% *  1.4498% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.486, support = 0.749, residual support = 7.7:
        T HB3   PHE   45 - QG2   ILE   89   3.49 +/- 0.39  97.483% * 91.2776% (0.49 10.00   0.75   7.71) =  99.908%  kept
          HB3   ASP-  86 - QG2   ILE   89   7.60 +/- 0.44   1.089% *  7.2789% (1.00  1.00   0.29   0.02) =   0.089%
          HG3   MET   96 - QG2   ILE   89   8.16 +/- 0.89   1.024% *  0.1706% (0.34  1.00   0.02   5.10) =   0.002%
          QE    LYS+ 112 - QG2   ILE   89  12.79 +/- 2.43   0.175% *  0.2434% (0.49  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QG2   ILE   89  10.21 +/- 1.10   0.205% *  0.0772% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QG2   ILE   89  16.83 +/- 1.18   0.010% *  0.4826% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QG2   ILE   89  16.28 +/- 0.90   0.012% *  0.3822% (0.76  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QG2   ILE   89  21.72 +/- 1.41   0.002% *  0.0876% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.467, support = 2.04, residual support = 10.3:
          QB    ALA   84 - QG2   ILE   89   3.26 +/- 0.42  89.765% * 26.2809% (0.49   1.64  10.64) =  88.263%  kept
          QB    ALA   88 - QG2   ILE   89   5.41 +/- 0.10   5.370% * 54.2482% (0.31   5.35   8.25) =  10.900%  kept
          HB3   PRO   93 - QG2   ILE   89   7.05 +/- 0.74   1.389% * 14.5398% (0.45   0.99   0.02) =   0.756%  kept
          HB3   LEU   80 - QG2   ILE   89   6.72 +/- 1.14   2.615% *  0.6513% (0.99   0.02   0.02) =   0.064%
          HB3   ASP-  44 - QG2   ILE   89   8.31 +/- 0.74   0.668% *  0.5700% (0.87   0.02   0.02) =   0.014%
          HG2   LYS+ 111 - QG2   ILE   89  13.68 +/- 2.58   0.084% *  0.6341% (0.97   0.02   0.02) =   0.002%
          HG    LEU   98 - QG2   ILE   89  11.12 +/- 1.25   0.069% *  0.3985% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   63 - QG2   ILE   89  14.30 +/- 1.18   0.018% *  0.6216% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   31 - QG2   ILE   89  14.59 +/- 0.98   0.013% *  0.6513% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   ILE   89  17.92 +/- 1.00   0.004% *  0.5022% (0.76   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   ILE   89  19.91 +/- 1.17   0.002% *  0.4771% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   ILE   89  21.53 +/- 0.73   0.001% *  0.4251% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.68, residual support = 216.2:
      O T HG13  ILE   89 - QG2   ILE   89   2.39 +/- 0.27 100.000% *100.0000% (0.98  10.0 10.00   5.68 216.15) = 100.000%  kept
    Distance limit 3.15 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 = 6.3, residual support = 216.0:
        T QD1   ILE   89 - QG2   ILE   89   2.28 +/- 0.59  92.147% * 99.2348% (0.92 10.00   6.30 216.15) =  99.937%  kept
        T QG2   VAL   83 - QG2   ILE   89   4.38 +/- 0.72   7.838% *  0.7384% (0.69 10.00   0.02   0.02) =   0.063%
          QD2   LEU   31 - QG2   ILE   89  10.57 +/- 0.79   0.015% *  0.0268% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2973 (0.10, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.64, residual support = 216.2:
      O T QD1   ILE   89 - HG12  ILE   89   2.15 +/- 0.01  98.298% * 99.4549% (0.92  10.0 10.00   5.64 216.15) =  99.999%  kept
          QG2   VAL   83 - HG12  ILE   89   5.23 +/- 1.17   1.686% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   ILE   89 - HG3   LYS+  99  16.17 +/- 1.64   0.001% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG3   LYS+  99  10.20 +/- 1.11   0.011% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG12  ILE   89  12.39 +/- 1.77   0.004% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  15.92 +/- 1.24   0.001% *  0.0300% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.17, residual support = 216.2:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00 100.000% * 99.5961% (0.98  10.0 10.00   5.17 216.15) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  20.27 +/- 1.78   0.000% *  0.4039% (0.40   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2975 (0.08, -0.08, 26.04 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 5.25, residual support = 214.9:
      O T QD1   ILE   89 - HG13  ILE   89   2.15 +/- 0.01  92.552% * 93.2302% (0.90  10.0 10.00   5.27 216.15) =  99.426%  kept
          QG2   VAL   83 - HG13  ILE   89   4.62 +/- 1.45   7.444% *  6.6943% (1.00   1.0  1.00   1.29   0.02) =   0.574%  kept
          QD2   LEU   31 - HG13  ILE   89  11.84 +/- 1.83   0.005% *  0.0755% (0.73   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 2976 (0.64, -0.08, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.68, residual support = 216.2:
      O T QG2   ILE   89 - HG13  ILE   89   2.39 +/- 0.27  99.446% * 99.9734% (0.84  10.0 10.00   5.68 216.15) = 100.000%  kept
          QG1   VAL   83 - HG13  ILE   89   7.04 +/- 1.53   0.554% *  0.0266% (0.22   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 2977 (1.75, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 4.97, residual support = 216.2:
      O T HB    ILE   89 - HG13  ILE   89   2.53 +/- 0.23  99.857% * 98.8208% (0.49  10.0 10.00   4.97 216.15) =  99.999%  kept
        T HB    VAL   43 - HG13  ILE   89   8.58 +/- 1.84   0.106% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HG13  ILE   89  10.18 +/- 1.84   0.036% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG13  ILE   89  18.40 +/- 1.89   0.001% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  18.20 +/- 1.69   0.001% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.54, residual support = 216.2:
          HN    ILE   89 - HG13  ILE   89   3.53 +/- 0.52  99.956% * 98.7840% (0.76   5.54 216.15) = 100.000%  kept
          HN    CYS   21 - HG13  ILE   89  14.56 +/- 2.25   0.028% *  0.4183% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG13  ILE   89  18.08 +/- 1.99   0.011% *  0.4413% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE   89  23.42 +/- 1.92   0.001% *  0.2641% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG13  ILE   89  19.96 +/- 2.25   0.004% *  0.0923% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.8, residual support = 216.2:
          HN    ILE   89 - HG12  ILE   89   2.49 +/- 0.80  99.914% * 98.2382% (0.76   5.80 216.15) = 100.000%  kept
          HN    SER   37 - HG3   LYS+  99  10.97 +/- 1.48   0.061% *  0.1018% (0.23   0.02   0.02) =   0.000%
          HN    ILE  119 - HG12  ILE   89  18.52 +/- 1.95   0.003% *  0.4194% (0.95   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE   89  15.81 +/- 1.87   0.003% *  0.3976% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG3   LYS+  99  16.66 +/- 3.04   0.005% *  0.1701% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG3   LYS+  99  13.78 +/- 1.55   0.013% *  0.0356% (0.08   0.02   0.02) =   0.000%
          HN    CYS   21 - HG3   LYS+  99  20.10 +/- 1.59   0.001% *  0.1612% (0.36   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  21.37 +/- 1.83   0.001% *  0.1374% (0.31   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE   89  24.05 +/- 1.95   0.000% *  0.2510% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  20.72 +/- 2.11   0.001% *  0.0877% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2980 (-0.07, 0.09, 9.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.27, residual support = 216.2:
      O T HG13  ILE   89 - QD1   ILE   89   2.15 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   5.27 216.15) = 100.000%  kept
    Distance limit 2.53 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 = 6.3, residual support = 216.2:
        T QG2   ILE   89 - QD1   ILE   89   2.28 +/- 0.59  99.625% * 99.7342% (0.84 10.00   6.30 216.15) =  99.999%  kept
        T QG1   VAL   83 - QD1   ILE   89   6.46 +/- 1.04   0.375% *  0.2658% (0.22 10.00   0.02   0.02) =   0.001%
    Distance limit 2.94 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2982 (1.22, 0.09, 9.19 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.64, residual support = 216.2:
      O T HG12  ILE   89 - QD1   ILE   89   2.15 +/- 0.01  99.977% * 99.2664% (1.00  10.0 10.00   5.64 216.15) = 100.000%  kept
          HG2   LYS+  74 - QD1   ILE   89  10.65 +/- 1.96   0.013% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   89  13.39 +/- 2.19   0.003% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD1   ILE   89  16.17 +/- 1.64   0.001% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  15.43 +/- 2.91   0.003% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  15.28 +/- 1.93   0.001% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  14.86 +/- 1.89   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  16.30 +/- 1.77   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2983 (1.75, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 5.31, residual support = 216.1:
      O T HB    ILE   89 - QD1   ILE   89   2.83 +/- 0.46  97.144% * 98.8208% (0.49  10.0 10.00   5.31 216.15) =  99.972%  kept
        T HB    VAL   43 - QD1   ILE   89   6.77 +/- 1.88   2.677% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.028%
          QD    LYS+  81 - QD1   ILE   89   9.49 +/- 1.07   0.156% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD1   ILE   89  14.52 +/- 1.74   0.011% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   89  14.37 +/- 1.61   0.012% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2984 (1.95, 0.09, 9.19 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 1.5, residual support = 5.09:
        T HB3   MET   96 - QD1   ILE   89   5.51 +/- 2.02  97.369% * 99.2551% (0.53 10.00   1.50   5.10) =  99.995%  kept
          HB3   ARG+  54 - QD1   ILE   89  15.07 +/- 1.22   1.178% *  0.2182% (0.87  1.00   0.02   0.02) =   0.003%
          HB    VAL   18 - QD1   ILE   89  14.13 +/- 1.80   0.686% *  0.1526% (0.61  1.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QD1   ILE   89  15.34 +/- 1.33   0.458% *  0.2256% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   LEU   67 - QD1   ILE   89  17.49 +/- 1.97   0.243% *  0.0858% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   ILE   89  21.48 +/- 2.28   0.065% *  0.0627% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 12 structures by 2.04 A, kept.
 
    Peak 2985 (2.49, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.51, residual support = 16.9:
        T HB3   TRP   87 - QD1   ILE   89   2.09 +/- 0.28  99.307% * 99.8369% (0.76 10.00   3.51  16.88) = 100.000%  kept
          HG3   MET   96 - QD1   ILE   89   6.36 +/- 1.49   0.692% *  0.0177% (0.14  1.00   0.02   5.10) =   0.000%
          HG3   GLN  116 - QD1   ILE   89  16.87 +/- 1.44   0.001% *  0.1091% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QD1   ILE   89  20.86 +/- 2.03   0.000% *  0.0363% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.472, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  12.68 +/- 1.07  45.504% * 62.4025% (0.57   0.02   0.02) =  58.087%  kept
          HB    THR  118 - QD1   ILE   89  12.36 +/- 1.76  54.496% * 37.5975% (0.34   0.02   0.02) =  41.913%  kept
    Distance limit 2.88 A violated in 20 structures by 8.13 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 1.1, residual support = 7.71:
          QD    PHE   45 - QD1   ILE   89   3.59 +/- 1.20  99.899% * 91.4269% (0.45   1.10   7.71) =  99.996%  kept
          HD2   HIS  122 - QD1   ILE   89  14.53 +/- 2.55   0.053% *  3.6746% (0.99   0.02   0.02) =   0.002%
          HE22  GLN  116 - QD1   ILE   89  18.34 +/- 1.32   0.041% *  3.6340% (0.98   0.02   0.02) =   0.002%
          HE22  GLN   17 - QD1   ILE   89  20.24 +/- 2.42   0.007% *  1.2646% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 5 structures by 0.44 A, kept.
 
    Peak 2988 (7.69, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.911, support = 2.26, residual support = 16.9:
          HN    TRP   87 - QD1   ILE   89   4.11 +/- 0.37  74.195% * 79.1345% (0.97   2.29  16.88) =  92.124%  kept
          HE3   TRP   87 - QD1   ILE   89   4.95 +/- 0.37  25.784% * 19.4690% (0.28   1.95  16.88) =   7.876%  kept
          HN    GLN   17 - QD1   ILE   89  18.38 +/- 1.68   0.012% *  0.7177% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - QD1   ILE   89  19.07 +/- 1.85   0.009% *  0.6789% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2989 (7.92, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.91, residual support = 216.2:
          HN    ILE   89 - QD1   ILE   89   2.71 +/- 0.60  99.954% * 98.8598% (0.76   5.91 216.15) = 100.000%  kept
          HN    CYS   21 - QD1   ILE   89  12.75 +/- 1.98   0.026% *  0.3923% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - QD1   ILE   89  14.35 +/- 1.63   0.013% *  0.4138% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE   89  19.37 +/- 1.66   0.002% *  0.2476% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE   89  16.77 +/- 1.85   0.005% *  0.0866% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 6.03, residual support = 95.6:
          HN    GLN   90 - QG    GLN   90   2.44 +/- 0.66  99.975% * 99.2729% (0.69   6.03  95.62) = 100.000%  kept
          HN    GLY  109 - QG    GLN   90  12.99 +/- 1.90   0.022% *  0.3293% (0.69   0.02   0.02) =   0.000%
          HN    ILE  103 - QG    GLN   90  16.53 +/- 2.30   0.003% *  0.3978% (0.83   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.59, residual support = 95.6:
      O   HN    GLN   90 - HB3   GLN   90   3.34 +/- 0.39  99.844% * 99.8365% (0.83  10.0   5.59  95.62) = 100.000%  kept
          HN    SER   82 - HB3   GLN   90  10.76 +/- 0.62   0.125% *  0.0452% (0.37   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLN   90  14.02 +/- 2.19   0.026% *  0.0280% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLN   90  19.45 +/- 2.38   0.004% *  0.0903% (0.75   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.161, support = 3.9, residual support = 54.2:
      O   HN    GLU-  79 - HB3   GLU-  79   2.70 +/- 0.32  99.596% * 98.3257% (0.16  10.0   3.90  54.20) =  99.999%  kept
          HN    SER   85 - HB2   GLN   90   7.59 +/- 0.74   0.295% *  0.3734% (0.61   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HB3   GLU-  79  11.05 +/- 0.57   0.033% *  0.2703% (0.44   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HB2   GLN   90  11.36 +/- 0.32   0.024% *  0.3357% (0.55   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB2   GLN   90  10.51 +/- 1.03   0.041% *  0.1359% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HB3   GLU-  79  13.24 +/- 0.76   0.009% *  0.2429% (0.40   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  17.57 +/- 1.02   0.002% *  0.1327% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  24.48 +/- 1.13   0.000% *  0.1834% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 4.25, residual support = 54.2:
      O T HA    GLU-  79 - HB3   GLU-  79   2.74 +/- 0.17  96.760% * 97.1719% (0.57  10.0 10.00   4.25  54.20) =  99.996%  kept
          HB    THR   77 - HB2   GLN   90   5.85 +/- 1.16   2.418% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   85 - HB2   GLN   90   6.79 +/- 0.73   0.587% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  79 - HB2   GLN   90  12.05 +/- 0.90   0.016% *  1.3427% (0.78   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  79   7.94 +/- 0.27   0.183% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.88 +/- 0.62   0.011% *  0.0720% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  13.51 +/- 0.53   0.008% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  15.26 +/- 2.19   0.005% *  0.1188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  14.73 +/- 0.74   0.004% *  0.0995% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.20 +/- 1.82   0.002% *  0.0860% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  16.25 +/- 1.17   0.003% *  0.0561% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  18.21 +/- 1.63   0.001% *  0.0776% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  19.76 +/- 1.46   0.001% *  0.1229% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  20.66 +/- 1.29   0.001% *  0.0889% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  24.23 +/- 0.83   0.000% *  0.0938% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  26.30 +/- 4.29   0.000% *  0.0681% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  28.87 +/- 0.60   0.000% *  0.1296% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  36.76 +/- 3.11   0.000% *  0.0941% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2994 (1.30, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.62, support = 0.579, residual support = 0.567:
          QB    ALA   88 - QG    GLN   90   4.01 +/- 0.54  76.704% * 91.1941% (0.62   0.59   0.58) =  98.547%  kept
          QG2   THR   77 - QG    GLN   90   5.48 +/- 1.07  23.222% *  4.4356% (0.88   0.02   0.02) =   1.451%  kept
          QG2   THR   23 - QG    GLN   90  12.70 +/- 1.33   0.071% *  1.6984% (0.34   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QG    GLN   90  23.07 +/- 1.98   0.002% *  1.1284% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG    GLN   90  26.73 +/- 1.62   0.001% *  1.5436% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.27 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 = 0.262, support = 0.0199, residual support = 0.0199:
          QG    LYS+  81 - QG    GLN   90   7.09 +/- 1.11  93.499% *  3.4351% (0.18   0.02   0.02) =  84.791%  kept
          HD3   LYS+  74 - QG    GLN   90  15.14 +/- 1.84   1.195% * 17.3194% (0.89   0.02   0.02) =   5.464%  kept
          HB3   LYS+ 111 - QG    GLN   90  17.31 +/- 2.42   0.996% * 17.3580% (0.90   0.02   0.02) =   4.564%  kept
          HG2   LYS+ 106 - QG    GLN   90  14.24 +/- 2.15   3.407% *  2.6782% (0.14   0.02   0.02) =   2.409%  kept
          HG    LEU  104 - QG    GLN   90  19.87 +/- 1.77   0.320% * 17.0143% (0.88   0.02   0.02) =   1.438%  kept
          HB3   LYS+ 121 - QG    GLN   90  22.37 +/- 2.15   0.152% * 17.0143% (0.88   0.02   0.02) =   0.684%  kept
          HD2   LYS+ 121 - QG    GLN   90  21.98 +/- 2.43   0.196% *  3.8645% (0.20   0.02   0.02) =   0.200%
          QD    LYS+  66 - QG    GLN   90  24.23 +/- 1.61   0.076% *  9.8273% (0.51   0.02   0.02) =   0.198%
          HG2   LYS+  33 - QG    GLN   90  23.33 +/- 1.69   0.088% *  8.4490% (0.44   0.02   0.02) =   0.196%
          HG2   LYS+  65 - QG    GLN   90  24.66 +/- 1.20   0.070% *  3.0399% (0.16   0.02   0.02) =   0.056%
    Distance limit 3.66 A violated in 20 structures by 3.35 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 = 64.1:
      O   HG3   MET   92 - HB2   MET   92   2.80 +/- 0.21  99.435% * 96.5136% (0.73  10.0  1.00   2.96  64.15) =  99.994%  kept
        T QG    GLN   90 - HB2   MET   92   8.12 +/- 1.61   0.532% *  1.0643% (0.80   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   ASP- 105 - HB2   MET   92  16.32 +/- 1.45   0.004% *  0.4534% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   MET   92  12.78 +/- 1.31   0.014% *  0.0806% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   MET   92  15.81 +/- 1.13   0.003% *  0.1326% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   MET   92  13.45 +/- 1.02   0.010% *  0.0233% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   MET   92  25.15 +/- 2.10   0.000% *  0.8598% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   MET   92  24.36 +/- 2.08   0.000% *  0.6469% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   MET   92  18.31 +/- 1.34   0.002% *  0.0965% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  24.63 +/- 1.46   0.000% *  0.1110% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  27.30 +/- 0.85   0.000% *  0.0180% (0.14   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 2997 (8.47, 1.89, 34.43 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.94, residual support = 64.1:
      O   HN    MET   92 - HB2   MET   92   2.52 +/- 0.50  99.820% * 99.7272% (0.92  10.0   3.94  64.15) = 100.000%  kept
          HN    THR   46 - HB2   MET   92   8.96 +/- 0.83   0.112% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   MET   92  12.45 +/- 2.18   0.065% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   MET   92  16.87 +/- 1.23   0.002% *  0.0865% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   MET   92  36.16 +/- 3.96   0.000% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 64.1:
      O T HA    MET   92 - HB2   MET   92   2.84 +/- 0.25  99.999% * 99.8006% (0.61  10.0 10.00   3.87  64.15) = 100.000%  kept
          HA    VAL   41 - HB2   MET   92  20.33 +/- 1.12   0.001% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   MET   92  22.75 +/- 1.34   0.000% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.29, residual support = 64.1:
      O   HG3   MET   92 - HB3   MET   92   2.56 +/- 0.27  99.830% * 99.2141% (0.73  10.0   3.29  64.15) = 100.000%  kept
          QG    GLN   90 - HB3   MET   92   8.99 +/- 1.44   0.141% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   MET   92  11.80 +/- 1.11   0.014% *  0.0829% (0.61   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   MET   92  14.51 +/- 1.06   0.004% *  0.1363% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   92  13.37 +/- 0.80   0.006% *  0.0239% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   MET   92  17.26 +/- 1.20   0.001% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  15.51 +/- 1.16   0.003% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  24.31 +/- 1.01   0.000% *  0.1141% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  23.43 +/- 1.76   0.000% *  0.0665% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  24.27 +/- 2.20   0.000% *  0.0884% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  26.73 +/- 0.75   0.000% *  0.0185% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 4.23, residual support = 64.1:
      O T HA    MET   92 - HB3   MET   92   2.77 +/- 0.16  99.999% * 99.8006% (0.61  10.0 10.00   4.23  64.15) = 100.000%  kept
          HA    HIS  122 - HB3   MET   92  21.63 +/- 1.24   0.000% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB3   MET   92  19.62 +/- 0.76   0.001% *  0.0676% (0.41   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 3001 (4.89, 2.31, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 64.1:
      O T HA    MET   92 - HG2   MET   92   2.84 +/- 0.54  99.998% * 99.8006% (0.61  10.0 10.00   2.49  64.15) = 100.000%  kept
          HA    VAL   41 - HG2   MET   92  20.95 +/- 1.35   0.001% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HG2   MET   92  23.27 +/- 2.04   0.001% *  0.1318% (0.80   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 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.301, support = 0.0199, residual support = 2.69:
          HB2   SER   37 - QG2   THR   39   3.58 +/- 0.15  98.835% * 10.7941% (0.30   0.02   2.75) =  97.775%  kept
          HA1   GLY   16 - QG2   THR   39   9.38 +/- 2.13   0.990% * 21.7367% (0.60   0.02   0.02) =   1.971%  kept
          HA    LYS+  66 - QG2   THR   39  10.98 +/- 1.11   0.154% * 16.6488% (0.46   0.02   0.02) =   0.235%
          HA1   GLY   16 - QG2   THR   23  17.72 +/- 0.79   0.007% * 12.1974% (0.33   0.02   0.02) =   0.008%
          HB2   SER   37 - QG2   THR   23  17.80 +/- 0.92   0.007% *  6.0571% (0.17   0.02   0.02) =   0.004%
          HA1   GLY   16 - QB    ALA   91  21.91 +/- 0.97   0.002% * 10.2645% (0.28   0.02   0.02) =   0.002%
          HA    LYS+  66 - QG2   THR   23  21.62 +/- 1.16   0.002% *  9.3424% (0.26   0.02   0.02) =   0.002%
          HA    LYS+  66 - QB    ALA   91  22.26 +/- 1.16   0.002% *  7.8619% (0.22   0.02   0.02) =   0.001%
          HB2   SER   37 - QB    ALA   91  24.32 +/- 1.20   0.001% *  5.0972% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 0 structures by 0.23 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 = 4.3, residual support = 64.1:
      O   HN    MET   92 - HB3   MET   92   3.48 +/- 0.31  99.326% * 99.8535% (0.92  10.0   4.30  64.15) = 100.000%  kept
          HN    THR   46 - HB3   MET   92   8.49 +/- 0.54   0.543% *  0.0827% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   MET   92  13.23 +/- 2.04   0.120% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   MET   92  16.20 +/- 0.93   0.012% *  0.0369% (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 3004 (4.43, 1.69, 34.43 ppm):
    10 chemical-shift based assignments, quality = 0.737, support = 0.0199, residual support = 0.0199:
          HA    THR   46 - HB3   MET   92   7.20 +/- 0.67  67.067% * 16.4223% (0.80   0.02   0.02) =  88.107%  kept
          HA    GLN   90 - HB3   MET   92   8.73 +/- 0.69  24.892% *  3.5917% (0.18   0.02   0.02) =   7.152%  kept
          HA    PHE   55 - HB3   MET   92  11.65 +/- 1.91   6.138% *  6.3300% (0.31   0.02   0.02) =   3.108%  kept
          HA    VAL   42 - HB3   MET   92  15.67 +/- 0.71   0.675% * 18.3930% (0.90   0.02   0.02) =   0.993%  kept
          HA    PRO   58 - HB3   MET   92  15.14 +/- 1.82   0.948% *  5.1139% (0.25   0.02   0.02) =   0.388%
          HA    GLN   17 - HB3   MET   92  20.65 +/- 1.63   0.133% * 17.7900% (0.87   0.02   0.02) =   0.189%
          HA    LEU   40 - HB3   MET   92  22.25 +/- 0.76   0.081% *  3.1644% (0.15   0.02   0.02) =   0.020%
          HA    GLU-  15 - HB3   MET   92  24.80 +/- 1.30   0.042% *  5.7022% (0.28   0.02   0.02) =   0.019%
          HA    SER   37 - HB3   MET   92  30.41 +/- 1.01   0.012% * 17.7900% (0.87   0.02   0.02) =   0.018%
          HA    SER   13 - HB3   MET   92  30.21 +/- 1.67   0.013% *  5.7022% (0.28   0.02   0.02) =   0.006%
    Distance limit 4.13 A violated in 19 structures by 2.58 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 = 64.1:
      O T HA    MET   92 - HG3   MET   92   3.09 +/- 0.79  99.974% * 99.9198% (0.99  10.0 10.00   3.97  64.15) = 100.000%  kept
          HA    LYS+  74 - HG3   MET   92  14.60 +/- 1.07   0.024% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HG3   MET   92  22.99 +/- 1.80   0.002% *  0.0311% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.04, residual support = 64.1:
          HN    MET   92 - HG3   MET   92   3.98 +/- 0.48  99.088% * 99.2793% (0.92   4.04  64.15) =  99.997%  kept
          HN    THR   46 - HG3   MET   92   9.41 +/- 0.62   0.772% *  0.4066% (0.76   0.02   0.02) =   0.003%
          HN    ASP- 113 - HG3   MET   92  14.03 +/- 2.49   0.122% *  0.1327% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   MET   92  17.34 +/- 1.07   0.018% *  0.1815% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.409, support = 0.0199, residual support = 0.0199:
          QD    PHE   45 - HB2   PRO   93   6.34 +/- 0.92  94.705% * 67.4545% (0.41   0.02   0.02) =  99.378%  kept
          QD    PHE   45 - HG3   GLN   30  11.68 +/- 0.99   4.030% *  5.2564% (0.03   0.02   0.02) =   0.330%
          HN    LYS+  65 - HB2   PRO   93  15.61 +/- 1.60   0.698% * 25.3164% (0.15   0.02   0.02) =   0.275%
          HN    LYS+  65 - HG3   GLN   30  15.71 +/- 1.64   0.567% *  1.9728% (0.01   0.02   0.02) =   0.017%
    Distance limit 4.23 A violated in 17 structures by 2.11 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   3.98 +/- 0.13  99.578% * 99.8806% (1.00  10.0   4.39  15.60) = 100.000%  kept
          HN    GLU-  79 - HB2   PRO   93  11.85 +/- 2.11   0.295% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   PRO   93  14.96 +/- 1.14   0.041% *  0.0309% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG3   GLN   30  14.84 +/- 0.81   0.039% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  16.00 +/- 1.70   0.028% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  17.23 +/- 1.24   0.018% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3009 (6.88, 1.81, 24.81 ppm):
    2 chemical-shift based assignments, quality = 0.409, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HG2   PRO   93   7.98 +/- 0.75  98.055% * 72.7108% (0.41   0.02   0.02) =  99.261%  kept
          HN    LYS+  65 - HG2   PRO   93  16.83 +/- 1.70   1.945% * 27.2892% (0.15   0.02   0.02) =   0.739%  kept
    Distance limit 4.07 A violated in 20 structures by 3.89 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   2.50 +/- 0.27  99.856% * 98.6893% (0.84  10.0  1.00   5.30 132.34) = 100.000%  kept
          HB2   ARG+  54 - HG3   PRO   93   8.78 +/- 1.29   0.085% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   PRO   93  10.98 +/- 2.13   0.054% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   93  14.95 +/- 1.74   0.004% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   PRO   93  20.01 +/- 2.05   0.001% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   93  20.32 +/- 1.54   0.000% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  23.71 +/- 2.68   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  27.26 +/- 0.74   0.000% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  32.38 +/- 4.04   0.000% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.356% * 96.9677% (0.99  10.0 10.00   3.97 132.34) = 100.000%  kept
          HB3   PRO   52 - HG3   PRO   93   5.31 +/- 2.07   0.643% *  0.0367% (0.38   1.0  1.00   0.02   0.52) =   0.000%
        T QB    LYS+  65 - HG3   PRO   93  16.48 +/- 1.73   0.000% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   PRO   93  18.89 +/- 0.87   0.000% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   PRO   93  20.98 +/- 0.93   0.000% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   PRO   93  20.27 +/- 2.26   0.000% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   93  17.23 +/- 1.69   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  17.94 +/- 0.81   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  19.60 +/- 1.46   0.000% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  19.03 +/- 2.35   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  97.419% * 97.0769% (0.95  10.0 10.00   3.97 132.34) =  99.979%  kept
        T HD2   LYS+ 111 - HG2   PRO   93  12.01 +/- 3.39   1.936% *  1.0059% (0.98   1.0 10.00   0.02   0.02) =   0.021%
          HB3   MET   92 - HG2   PRO   93   4.21 +/- 0.57   0.644% *  0.0947% (0.92   1.0  1.00   0.02   1.77) =   0.001%
          QD    LYS+ 106 - HG2   PRO   93  12.72 +/- 1.40   0.001% *  0.0622% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   PRO   93  21.22 +/- 1.34   0.000% *  0.8217% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   PRO   93  17.53 +/- 1.51   0.000% *  0.2285% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   PRO   93  15.65 +/- 1.50   0.000% *  0.0822% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  15.33 +/- 1.39   0.000% *  0.0285% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  20.25 +/- 1.81   0.000% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  26.32 +/- 1.05   0.000% *  0.4219% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  17.20 +/- 1.67   0.000% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  21.21 +/- 0.97   0.000% *  0.0581% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.53 +/- 0.28  79.926% * 99.5358% (0.97  10.0   3.97 132.34) =  99.978%  kept
          HB3   CYS   53 - HG3   PRO   93   4.18 +/- 1.67  18.739% *  0.0861% (0.84   1.0   0.02   0.02) =   0.020%
          QB    PHE   55 - HG3   PRO   93   6.45 +/- 1.71   1.291% *  0.1029% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   PHE   59 - HG3   PRO   93  10.19 +/- 1.37   0.022% *  0.0952% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG3   PRO   93  10.39 +/- 1.26   0.022% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   PRO   93  21.79 +/- 2.70   0.000% *  0.1011% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3014 (3.59, 1.68, 24.81 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.97, residual support = 132.3:
      O   HD2   PRO   93 - HG3   PRO   93   2.64 +/- 0.28  99.972% * 99.4436% (0.25  10.0   3.97 132.34) = 100.000%  kept
          HA    THR   77 - HG3   PRO   93  11.04 +/- 1.62   0.026% *  0.3681% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG3   PRO   93  18.05 +/- 1.40   0.001% *  0.0994% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  22.28 +/- 1.15   0.000% *  0.0888% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3017 (6.89, 1.68, 24.81 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - HG3   PRO   93  16.96 +/- 1.76 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.11 A violated in 20 structures by 12.85 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.66, support = 0.02, residual support = 0.02:
          HN    ALA  110 - HD2   PRO   93   8.25 +/- 2.82  48.484% * 45.6992% (0.71   0.02   0.02) =  54.336%  kept
          HN    PHE   45 - HD2   PRO   93   7.96 +/- 0.51  46.971% * 38.9422% (0.61   0.02   0.02) =  44.857%  kept
          HN    ASP-  44 - HD2   PRO   93  12.06 +/- 0.66   4.334% *  7.1936% (0.11   0.02   0.02) =   0.765%  kept
          HN    GLU-  25 - HD2   PRO   93  20.15 +/- 1.11   0.211% *  8.1650% (0.13   0.02   0.02) =   0.042%
    Distance limit 4.17 A violated in 17 structures by 2.52 A, eliminated.
    Peak unassigned.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.37, support = 0.0198, residual support = 0.0198:
          HA    CYS   50 - HD2   PRO   93   7.27 +/- 2.24  64.107% * 13.0143% (0.35   0.02   0.02) =  61.323%  kept
          HA1   GLY  109 - HD2   PRO   93   9.40 +/- 2.43  29.353% * 14.0670% (0.38   0.02   0.02) =  30.349%  kept
          HA    TRP   49 - HD2   PRO   93  10.71 +/- 2.11   5.548% * 18.3659% (0.50   0.02   0.02) =   7.489%  kept
          HA    CYS   21 - HD2   PRO   93  19.23 +/- 1.33   0.237% * 23.1925% (0.63   0.02   0.02) =   0.405%
          HA    ALA   20 - HD2   PRO   93  16.57 +/- 1.48   0.647% *  4.6825% (0.13   0.02   0.02) =   0.223%
          HA    LYS+ 102 - HD2   PRO   93  21.76 +/- 0.61   0.108% * 26.6778% (0.72   0.02   0.02) =   0.212%
    Distance limit 4.13 A violated in 17 structures by 2.12 A, eliminated.
    Peak unassigned.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.656, support = 0.0198, residual support = 0.0198:
          QB    ALA  110 - HD2   PRO   93   7.16 +/- 2.84  71.852% * 11.6320% (0.69   0.02   0.02) =  84.114%  kept
          QB    ALA   61 - HD2   PRO   93  12.69 +/- 1.50   5.855% * 12.2692% (0.72   0.02   0.02) =   7.230%  kept
          HB3   LEU  115 - HD2   PRO   93  10.98 +/- 1.93  14.947% *  2.1535% (0.13   0.02   0.02) =   3.239%  kept
          HG    LEU   80 - HD2   PRO   93  15.05 +/- 1.50   1.850% * 11.8670% (0.70   0.02   0.02) =   2.209%  kept
          HB2   LEU   80 - HD2   PRO   93  14.04 +/- 1.55   2.294% *  5.9854% (0.35   0.02   0.02) =   1.382%  kept
          HB3   LYS+  74 - HD2   PRO   93  14.79 +/- 1.40   1.539% *  3.7953% (0.22   0.02   0.02) =   0.588%  kept
          HG    LEU   73 - HD2   PRO   93  17.58 +/- 1.27   0.458% *  7.4582% (0.44   0.02   0.02) =   0.343%
          QG    LYS+  66 - HD2   PRO   93  19.36 +/- 1.92   0.306% *  9.8463% (0.58   0.02   0.02) =   0.303%
          HG12  ILE   19 - HD2   PRO   93  20.50 +/- 1.81   0.212% * 11.0279% (0.65   0.02   0.02) =   0.235%
          HB3   LEU   67 - HD2   PRO   93  22.00 +/- 1.72   0.126% * 11.6320% (0.69   0.02   0.02) =   0.148%
          HD3   LYS+ 121 - HD2   PRO   93  19.62 +/- 2.21   0.278% *  4.1944% (0.25   0.02   0.02) =   0.117%
          HG2   LYS+ 102 - HD2   PRO   93  23.78 +/- 1.09   0.078% *  5.9854% (0.35   0.02   0.02) =   0.047%
          HG    LEU   40 - HD2   PRO   93  20.21 +/- 1.29   0.207% *  2.1535% (0.13   0.02   0.02) =   0.045%
    Distance limit 3.73 A violated in 16 structures by 2.61 A, eliminated.
    Peak unassigned.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.0904, support = 3.22, residual support = 20.2:
          HB3   LEU   67 - HD3   PRO   68   4.23 +/- 0.49  55.521% * 57.8996% (0.08   3.42  21.74) =  93.073%  kept
          QG    LYS+  66 - HD3   PRO   68   5.70 +/- 1.23  22.226% *  7.5532% (0.05   0.70   0.02) =   4.861%  kept
          QB    ALA  110 - HD3   PRO   93   6.98 +/- 3.13  20.579% *  3.3878% (0.78   0.02   0.02) =   2.019%  kept
          QB    ALA   61 - HD3   PRO   93  12.36 +/- 1.41   0.192% *  2.5265% (0.58   0.02   0.02) =   0.014%
          HD3   LYS+ 121 - HD3   PRO   68  14.14 +/- 3.24   0.641% *  0.5806% (0.13   0.02   0.02) =   0.011%
          HB2   LEU   80 - HD3   PRO   93  14.16 +/- 1.48   0.045% *  3.6945% (0.85   0.02   0.02) =   0.005%
          QB    ALA   61 - HD3   PRO   68  10.24 +/- 1.13   0.365% *  0.4496% (0.10   0.02   0.02) =   0.005%
          HB3   LYS+  74 - HD3   PRO   93  14.64 +/- 1.37   0.049% *  3.1273% (0.72   0.02   0.02) =   0.004%
          HG    LEU   80 - HD3   PRO   93  15.17 +/- 1.31   0.028% *  3.2622% (0.75   0.02   0.02) =   0.003%
          HG12  ILE   19 - HD3   PRO   68  13.17 +/- 2.12   0.091% *  0.6416% (0.15   0.02   0.02) =   0.002%
          QB    LEU   98 - HD3   PRO   93  17.37 +/- 0.76   0.012% *  2.0548% (0.47   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HD3   PRO   93  19.49 +/- 1.92   0.007% *  3.2622% (0.75   0.02   0.02) =   0.001%
          HG12  ILE   19 - HD3   PRO   93  20.31 +/- 1.88   0.006% *  3.6053% (0.83   0.02   0.02) =   0.001%
          QB    ALA   12 - HD3   PRO   68  15.54 +/- 2.62   0.083% *  0.1933% (0.04   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   68  14.57 +/- 1.09   0.036% *  0.3657% (0.08   0.02   0.02) =   0.000%
          QB    ALA  110 - HD3   PRO   68  18.67 +/- 2.54   0.019% *  0.6029% (0.14   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   93  17.61 +/- 1.33   0.013% *  0.6840% (0.16   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD3   PRO   93  19.16 +/- 1.76   0.007% *  1.2054% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   PRO   68  17.07 +/- 1.12   0.014% *  0.5566% (0.13   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   68  13.77 +/- 1.38   0.059% *  0.1217% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD3   PRO   93  21.86 +/- 1.65   0.003% *  1.9010% (0.44   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   93  25.74 +/- 2.72   0.001% *  1.0859% (0.25   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   PRO   68  23.91 +/- 1.39   0.002% *  0.6575% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HD3   PRO   68  23.57 +/- 1.46   0.002% *  0.5806% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 2.0, residual support = 5.48:
          QG2   ILE   89 - HB    THR   94   4.31 +/- 1.07 100.000% *100.0000% (0.28   2.00   5.48) = 100.000%  kept
    Distance limit 3.27 A violated in 10 structures by 1.10 A, kept.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.77, support = 2.0, residual support = 5.47:
          QD1   ILE   89 - HB    THR   94   4.57 +/- 1.07  86.613% * 98.9959% (0.77   2.00   5.48) =  99.887%  kept
          QG2   VAL   83 - HB    THR   94   7.98 +/- 2.07  13.032% *  0.7366% (0.57   0.02   0.02) =   0.112%
          QD2   LEU   31 - HB    THR   94  12.68 +/- 1.25   0.355% *  0.2674% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 7 structures by 1.01 A, kept.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.2:
        T HB2   PHE   45 - HB    THR   94   3.41 +/- 0.67  99.874% * 99.8423% (0.81 10.00   2.96  27.18) = 100.000%  kept
          QE    LYS+ 111 - HB    THR   94  12.32 +/- 1.72   0.100% *  0.1032% (0.83  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB    THR   94  14.93 +/- 2.07   0.026% *  0.0544% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 1 structures by 0.29 A, kept.
 
    Peak 3025 (5.59, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.146, support = 0.02, residual support = 0.02:
          HA    LEU   73 - HB    THR   94  13.58 +/- 1.14 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.93 A violated in 20 structures by 10.65 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   2.70 +/- 0.13  99.971% * 99.8964% (0.83  10.0   3.08  25.29) = 100.000%  kept
          HN    GLU-  79 - HB    THR   94  12.66 +/- 0.92   0.011% *  0.0727% (0.61   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB    THR   94  11.94 +/- 1.38   0.018% *  0.0309% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3027 (8.74, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.806, support = 3.3, residual support = 27.2:
          HN    PHE   45 - HB    THR   94   4.53 +/- 0.84  92.604% * 99.4994% (0.81   3.30  27.18) =  99.960%  kept
          HN    ALA  110 - HB    THR   94   8.56 +/- 2.19   7.396% *  0.5006% (0.67   0.02   0.02) =   0.040%
    Distance limit 4.14 A violated in 6 structures by 0.53 A, kept.
 
    Peak 3028 (5.61, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.533, residual support = 0.722:
          HA    LYS+ 106 - QG2   THR   94   4.55 +/- 0.71 100.000% *100.0000% (0.41   0.53   0.72) = 100.000%  kept
    Distance limit 3.42 A violated in 9 structures by 1.12 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.25, residual support = 14.9:
          HN    PHE   95 - QG2   THR   94   2.11 +/- 0.36 100.000% *100.0000% (0.97   4.25  14.88) = 100.000%  kept
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3031 (4.33, 5.96, 55.53 ppm):
    6 chemical-shift based assignments, quality = 0.64, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HA    PHE   95  12.13 +/- 0.64  22.541% * 27.7167% (0.84   0.02   0.02) =  38.072%  kept
          HA    TRP   87 - HA    PHE   95  12.35 +/- 0.87  20.183% * 25.3593% (0.76   0.02   0.02) =  31.190%  kept
          HA    PHE   59 - HA    PHE   95  10.62 +/- 1.35  50.425% *  8.2742% (0.25   0.02   0.02) =  25.425%  kept
          HA    ASP-  86 - HA    PHE   95  15.28 +/- 0.94   5.633% * 12.4539% (0.38   0.02   0.02) =   4.275%  kept
          HA    GLU-  14 - HA    PHE   95  21.06 +/- 1.63   0.913% * 14.8769% (0.45   0.02   0.02) =   0.827%  kept
          HA    ALA   12 - HA    PHE   95  25.18 +/- 2.32   0.305% * 11.3190% (0.34   0.02   0.02) =   0.211%
    Distance limit 3.46 A violated in 20 structures by 5.82 A, eliminated.
    Peak unassigned.
 
    Peak 3032 (7.03, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.44, residual support = 73.5:
          QD    PHE   95 - HA    PHE   95   2.76 +/- 0.51  99.956% * 99.8140% (0.87   3.44  73.54) = 100.000%  kept
          HN    ALA   47 - HA    PHE   95  10.75 +/- 0.81   0.044% *  0.1860% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3033 (9.33, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 12.0:
      O   HN    MET   96 - HA    PHE   95   2.20 +/- 0.01  99.994% * 99.9753% (0.80  10.0   4.00  11.99) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  11.31 +/- 0.73   0.006% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 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 +/- 0.01 100.000% *100.0000% (0.53  10.0   4.33  73.54) = 100.000%  kept
    Distance limit 3.70 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   2.38 +/- 0.12  99.993% * 99.9680% (0.87  10.0   3.00  73.54) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  12.20 +/- 0.98   0.007% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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   2.56 +/- 0.16  99.992% * 99.9680% (0.87  10.0   3.31  73.54) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  12.45 +/- 1.00   0.008% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 4.2, residual support = 73.5:
      O   HN    PHE   95 - HB3   PHE   95   3.34 +/- 0.36 100.000% *100.0000% (0.53  10.0   4.20  73.54) = 100.000%  kept
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3038 (9.89, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 3.87, residual support = 73.5:
      O   HN    PHE   95 - HB2   PHE   95   2.55 +/- 0.32 100.000% *100.0000% (0.53  10.0   3.87  73.54) = 100.000%  kept
    Distance limit 3.48 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 = 0.834, support = 1.72, residual support = 45.2:
          QG2   VAL  107 - HB3   PHE   95   4.57 +/- 0.84  79.837% * 95.9562% (0.84   1.73  45.23) =  99.851%  kept
          HG13  ILE  119 - HB3   PHE   95   7.17 +/- 2.03  16.601% *  0.5471% (0.41   0.02   0.02) =   0.118%
          HG13  ILE  103 - HB3   PHE   95   9.08 +/- 1.02   2.772% *  0.4994% (0.38   0.02   0.02) =   0.018%
          HG2   LYS+ 121 - HB3   PHE   95  12.10 +/- 2.10   0.503% *  1.3044% (0.98   0.02   0.02) =   0.009%
          QB    ALA   20 - HB3   PHE   95  13.45 +/- 1.43   0.214% *  1.1935% (0.90   0.02   0.02) =   0.003%
          HB3   LEU   31 - HB3   PHE   95  16.18 +/- 1.34   0.072% *  0.4994% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 9 structures by 0.77 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.74, support = 1.39, residual support = 5.73:
          QD2   LEU  115 - HB3   PHE   95   5.98 +/- 2.20  41.443% * 57.9218% (0.90   1.35   9.10) =  52.737%  kept
          QD1   LEU   63 - HB3   PHE   95   5.29 +/- 2.12  55.327% * 38.8500% (0.57   1.43   1.97) =  47.222%  kept
          QD1   LEU  104 - HB3   PHE   95  10.15 +/- 1.18   0.951% *  0.9580% (1.00   0.02   0.02) =   0.020%
          QD1   LEU   73 - HB3   PHE   95   9.89 +/- 1.05   0.676% *  0.5424% (0.57   0.02   0.02) =   0.008%
          QD2   LEU   80 - HB3   PHE   95  12.29 +/- 1.11   0.244% *  0.8843% (0.92   0.02   0.02) =   0.005%
          QG1   VAL   83 - HB3   PHE   95  12.64 +/- 1.41   0.263% *  0.6956% (0.73   0.02   0.02) =   0.004%
          QG2   ILE   89 - HB3   PHE   95   9.32 +/- 0.73   1.094% *  0.1478% (0.15   0.02   0.02) =   0.004%
    Distance limit 3.63 A violated in 6 structures by 0.54 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.646, support = 0.745, residual support = 1.43:
          QG1   VAL   42 - HB3   PHE   95   4.98 +/- 0.93  93.475% * 81.9170% (0.65   0.75   1.44) =  99.174%  kept
          QB    ALA   64 - HB3   PHE   95   8.87 +/- 1.11   4.134% * 14.4601% (0.53   0.16   0.02) =   0.774%  kept
          QB    ALA   47 - HB3   PHE   95  11.44 +/- 0.92   1.006% *  2.5806% (0.76   0.02   0.02) =   0.034%
          HG2   LYS+ 112 - HB3   PHE   95  11.47 +/- 1.73   1.385% *  1.0422% (0.31   0.02   0.02) =   0.019%
    Distance limit 3.65 A violated in 14 structures by 1.35 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.58, residual support = 45.2:
          QG2   VAL  107 - HB2   PHE   95   3.62 +/- 0.80  89.807% * 94.2497% (0.34   3.58  45.23) =  99.837%  kept
          HG13  ILE  119 - HB2   PHE   95   7.30 +/- 2.33   9.765% *  1.3828% (0.90   0.02   0.02) =   0.159%
          HG2   LYS+ 121 - HB2   PHE   95  12.23 +/- 2.27   0.125% *  0.8729% (0.57   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HB2   PHE   95  11.63 +/- 2.07   0.213% *  0.4287% (0.28   0.02   0.02) =   0.001%
          QB    ALA   20 - HB2   PHE   95  14.05 +/- 1.15   0.042% *  1.4233% (0.92   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB2   PHE   95  17.10 +/- 1.20   0.014% *  1.3374% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB2   PHE   95  15.03 +/- 1.63   0.033% *  0.3051% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 1 structures by 0.23 A, kept.
 
    Peak 3043 (2.40, 3.20, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.3, residual support = 45.2:
        T HB    VAL  107 - HB2   PHE   95   2.87 +/- 0.75  99.435% * 99.6841% (0.80 10.00   4.30  45.23) = 100.000%  kept
          HB3   PHE   45 - HB2   PHE   95   9.01 +/- 0.66   0.344% *  0.0467% (0.38  1.00   0.02   1.89) =   0.000%
          QE    LYS+ 112 - HB2   PHE   95   9.69 +/- 1.90   0.203% *  0.0467% (0.38  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   95  17.40 +/- 0.81   0.009% *  0.0855% (0.69  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   95  20.60 +/- 0.91   0.003% *  0.1178% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  18.09 +/- 0.84   0.007% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 1 structures by 0.17 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.921, support = 0.749, residual support = 5.47:
          QD1   ILE   89 - QG2   THR   94   4.03 +/- 0.99  91.159% * 97.3666% (0.92   0.75   5.48) =  99.817%  kept
          QG2   VAL   83 - QG2   THR   94   7.19 +/- 1.79   8.201% *  1.9321% (0.69   0.02   0.02) =   0.178%
          QD2   LEU   31 - QG2   THR   94  10.27 +/- 1.06   0.640% *  0.7014% (0.25   0.02   0.02) =   0.005%
    Distance limit 3.06 A violated in 9 structures by 1.02 A, kept.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 0.987, residual support = 1.97:
        T HA    LYS+ 106 - HA    MET   96   3.46 +/- 1.17 100.000% *100.0000% (0.97 10.00   0.99   1.97) = 100.000%  kept
    Distance limit 3.27 A violated in 2 structures by 0.49 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 45.4:
      O   HN    PHE   97 - HA    MET   96   2.23 +/- 0.03  99.993% * 99.8692% (0.88  10.0   6.07  45.41) = 100.000%  kept
          HN    LEU  115 - HA    MET   96  11.85 +/- 1.42   0.006% *  0.0999% (0.88   1.0   0.02   0.28) =   0.000%
          HN    ASP- 113 - HA    MET   96  15.41 +/- 1.00   0.001% *  0.0310% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 2.77 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   4.09 115.52) = 100.000%  kept
    Distance limit 3.67 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 = 1.97, residual support = 9.81:
        T QE    PHE   45 - HB2   MET   96   3.76 +/- 0.99  98.932% * 98.2959% (0.49 10.00   1.97   9.82) =  99.996%  kept
        T HZ    PHE   72 - HB2   MET   96  12.34 +/- 1.82   0.186% *  1.5636% (0.76 10.00   0.02   0.02) =   0.003%
          QD    PHE   72 - HB2   MET   96   9.49 +/- 0.87   0.881% *  0.1405% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 3 structures by 0.35 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 45.4:
          HN    PHE   97 - HB2   MET   96   3.93 +/- 0.15  99.894% * 99.4519% (0.92   6.07  45.41) = 100.000%  kept
          HN    LEU  115 - HB2   MET   96  14.14 +/- 1.19   0.054% *  0.3274% (0.92   0.02   0.28) =   0.000%
          HN    ASN   35 - HB2   MET   96  14.28 +/- 1.15   0.050% *  0.0480% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   MET   96  25.66 +/- 2.43   0.002% *  0.1727% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3050 (9.31, 2.21, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 4.05, residual support = 115.5:
      O   HN    MET   96 - HB2   MET   96   2.89 +/- 0.25 100.000% *100.0000% (0.65  10.0   4.05 115.52) = 100.000%  kept
    Distance limit 3.65 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 = 0.619, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  12.96 +/- 1.90  19.282% * 81.6578% (0.99   0.02   0.02) =  51.539%  kept
          QD    PHE   72 - HB3   MET   96  10.02 +/- 1.05  80.718% * 18.3422% (0.22   0.02   0.02) =  48.461%  kept
    Distance limit 3.59 A violated in 20 structures by 6.08 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   2.48 +/- 0.20 100.000% *100.0000% (0.65  10.0   3.97 115.52) = 100.000%  kept
    Distance limit 3.58 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   2.51 +/- 0.59  99.094% * 94.5898% (0.73   2.00  16.41) =  99.992%  kept
          QG1   VAL   41 - HB2   MET   96   7.11 +/- 0.89   0.682% *  0.6853% (0.53   0.02   0.02) =   0.005%
          QD2   LEU  104 - HB2   MET   96   8.86 +/- 0.75   0.122% *  1.0431% (0.80   0.02   0.02) =   0.001%
          QG2   THR   46 - HB2   MET   96  10.12 +/- 1.11   0.053% *  1.2768% (0.98   0.02   0.02) =   0.001%
          QG2   VAL   18 - HB2   MET   96  11.08 +/- 0.81   0.036% *  1.2025% (0.92   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB2   MET   96  13.03 +/- 1.01   0.013% *  1.2025% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3054 (0.08, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.747, support = 1.32, residual support = 3.93:
          QD1   ILE   89 - HB2   MET   96   6.55 +/- 2.10  52.153% * 56.7036% (0.69   1.50   5.10) =  74.513%  kept
          QG2   VAL   83 - HB2   MET   96   7.19 +/- 1.15  23.335% * 42.2803% (0.92   0.83   0.53) =  24.860%  kept
          QD2   LEU   31 - HB2   MET   96   7.36 +/- 0.86  24.512% *  1.0160% (0.92   0.02   0.02) =   0.628%  kept
    Distance limit 3.84 A violated in 13 structures by 1.36 A, kept.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.682, support = 1.49, residual support = 5.02:
        T QD1   ILE   89 - HB3   MET   96   5.51 +/- 2.02  69.076% * 96.2818% (0.69 10.00   1.50   5.10) =  98.301%  kept
          QG2   VAL   83 - HB3   MET   96   6.90 +/- 1.19  30.924% *  3.7182% (0.41  1.00   0.97   0.53) =   1.699%  kept
    Distance limit 3.83 A violated in 11 structures by 1.05 A, kept.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.6, residual support = 45.4:
          HN    PHE   97 - HG2   MET   96   3.66 +/- 0.51  99.732% * 99.1286% (0.92   5.60  45.41) = 100.000%  kept
          HN    LEU  115 - HB2   PRO   52  11.55 +/- 1.81   0.179% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    LEU  115 - HG2   MET   96  14.42 +/- 1.56   0.044% *  0.3543% (0.92   0.02   0.28) =   0.000%
          HN    PHE   97 - HB2   PRO   52  17.42 +/- 1.97   0.015% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   96  15.31 +/- 1.32   0.028% *  0.0519% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HG2   MET   96  27.71 +/- 2.55   0.001% *  0.1868% (0.49   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   PRO   52  33.63 +/- 3.52   0.000% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  29.61 +/- 1.95   0.001% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 6.03, residual support = 45.4:
          HN    PHE   97 - HG3   MET   96   3.27 +/- 0.61  99.956% * 99.5673% (0.54   6.03  45.41) = 100.000%  kept
          HN    LEU  115 - HG3   MET   96  14.02 +/- 1.34   0.035% *  0.3303% (0.54   0.02   0.28) =   0.000%
          HN    ASP- 113 - HG3   MET   96  17.48 +/- 1.24   0.009% *  0.1024% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.477, support = 2.15, residual support = 6.24:
          HG13  ILE  103 - HG2   MET   96   3.36 +/- 0.86  74.502% * 33.0579% (0.25   2.57   7.90) =  69.278%  kept
          QG2   THR   94 - HG2   MET   96   5.09 +/- 0.83  17.351% * 62.8204% (0.99   1.23   2.49) =  30.660%  kept
          HD2   LYS+ 112 - HB2   PRO   52   9.89 +/- 3.28   4.285% *  0.2632% (0.25   0.02   0.02) =   0.032%
          HB3   LYS+ 112 - HB2   PRO   52  10.26 +/- 3.03   3.009% *  0.2974% (0.29   0.02   0.02) =   0.025%
          QG2   THR   94 - HB2   PRO   52   9.49 +/- 1.55   0.375% *  0.3007% (0.29   0.02   0.02) =   0.003%
          HB3   LEU   71 - HG2   MET   96  12.48 +/- 0.78   0.045% *  0.8271% (0.80   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HB2   PRO   52  10.10 +/- 2.02   0.409% *  0.0468% (0.05   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HG2   MET   96  18.42 +/- 1.61   0.005% *  1.0125% (0.98   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG2   MET   96  18.95 +/- 2.63   0.005% *  0.8960% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG2   MET   96  16.99 +/- 2.21   0.010% *  0.1594% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   PRO   52  23.70 +/- 1.94   0.001% *  0.2430% (0.24   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB2   PRO   52  19.45 +/- 1.99   0.003% *  0.0757% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.694, support = 2.41, residual support = 7.87:
          QD1   ILE  103 - HG2   MET   96   3.15 +/- 0.85  81.870% * 19.1929% (0.49   1.88   7.90) =  58.634%  kept
          QG2   ILE  103 - HG2   MET   96   4.35 +/- 0.89  16.417% * 66.7722% (1.00   3.20   7.90) =  40.906%  kept
          QD2   LEU   40 - HG2   MET   96   7.66 +/- 0.75   1.021% * 11.9769% (0.95   0.60   0.02) =   0.456%
          HB    VAL   75 - HG2   MET   96   9.24 +/- 1.07   0.417% *  0.1572% (0.38   0.02   0.02) =   0.002%
          QD1   LEU   67 - HG2   MET   96  13.21 +/- 2.48   0.054% *  0.4041% (0.97   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG2   MET   96  12.47 +/- 0.53   0.047% *  0.2540% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG2   MET   96  14.65 +/- 0.73   0.020% *  0.4151% (0.99   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   MET   96  13.40 +/- 2.35   0.062% *  0.1293% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PRO   52  15.42 +/- 1.61   0.014% *  0.1219% (0.29   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   PRO   52  16.62 +/- 1.80   0.009% *  0.1227% (0.29   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   PRO   52  14.29 +/- 1.56   0.026% *  0.0380% (0.09   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PRO   52  15.04 +/- 2.73   0.021% *  0.0462% (0.11   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB2   PRO   52  18.15 +/- 1.56   0.006% *  0.1187% (0.28   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   PRO   52  16.25 +/- 1.69   0.010% *  0.0599% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB2   PRO   52  18.84 +/- 1.80   0.005% *  0.1164% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   PRO   52  20.89 +/- 1.46   0.002% *  0.0746% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 1 structures by 0.10 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.255, support = 0.384, residual support = 0.48:
          HG    LEU   98 - HG3   MET   96   4.66 +/- 1.32  50.159% *  9.6535% (0.25   0.24   0.34) =  61.512%  kept
          QB    LEU   98 - HG3   MET   96   5.75 +/- 0.92  11.427% * 18.5091% (0.14   0.84   0.34) =  26.868%  kept
          HG3   LYS+ 106 - HG3   MET   96   5.24 +/- 1.69  34.849% *  1.9757% (0.61   0.02   1.97) =   8.747%  kept
          HG3   LYS+ 102 - HG3   MET   96  10.60 +/- 1.41   0.339% * 49.6593% (0.59   0.52   0.17) =   2.137%  kept
          HB3   PRO   93 - HG3   MET   96  12.12 +/- 0.86   0.233% *  8.2286% (0.34   0.15   0.02) =   0.244%
          HB3   LEU   73 - HG3   MET   96  10.61 +/- 1.41   0.795% *  1.8731% (0.57   0.02   0.02) =   0.189%
          HB    VAL   42 - HG3   MET   96   9.15 +/- 0.52   0.790% *  1.7758% (0.54   0.02   0.02) =   0.178%
          QB    ALA   84 - HG3   MET   96  10.74 +/- 1.30   0.542% *  1.0418% (0.32   0.02   0.02) =   0.072%
          HB3   ASP-  44 - HG3   MET   96   9.70 +/- 0.82   0.795% *  0.3919% (0.12   0.02   0.02) =   0.040%
          HB2   LYS+ 112 - HG3   MET   96  17.99 +/- 1.54   0.022% *  1.9626% (0.60   0.02   0.02) =   0.005%
          HG3   LYS+  33 - HG3   MET   96  16.73 +/- 1.05   0.025% *  1.6539% (0.51   0.02   0.02) =   0.005%
          HG3   LYS+  65 - HG3   MET   96  20.17 +/- 1.40   0.009% *  1.7758% (0.54   0.02   0.02) =   0.002%
          QB    ALA  124 - HG3   MET   96  18.53 +/- 2.89   0.012% *  0.6112% (0.19   0.02   0.02) =   0.001%
          QB    ALA   12 - HG3   MET   96  22.42 +/- 2.27   0.004% *  0.8877% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 3 structures by 0.31 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 = 0.31, support = 1.98, residual support = 5.99:
          HG13  ILE  103 - HG3   MET   96   3.30 +/- 1.03  78.490% * 29.8461% (0.15  1.00   2.40   7.90) =  64.701%  kept
          QG2   THR   94 - HG3   MET   96   4.99 +/- 0.89  21.457% * 59.5598% (0.60  1.00   1.20   2.49) =  35.296%  kept
        T HD2   LYS+ 112 - HG3   MET   96  18.65 +/- 2.67   0.006% *  8.6617% (0.53 10.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG3   MET   96  12.41 +/- 0.82   0.036% *  0.7996% (0.49  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HG3   MET   96  18.07 +/- 1.58   0.004% *  0.9788% (0.59  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG3   MET   96  16.73 +/- 2.26   0.008% *  0.1541% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.462, support = 2.33, residual support = 7.9:
          QG2   ILE  103 - HG3   MET   96   4.15 +/- 0.98  30.223% * 70.6897% (0.61   2.59   7.90) =  53.709%  kept
          QD1   ILE  103 - HG3   MET   96   3.33 +/- 0.76  68.136% * 27.0154% (0.30   2.03   7.90) =  46.275%  kept
          QD2   LEU   40 - HG3   MET   96   7.46 +/- 0.62   0.874% *  0.5178% (0.57   0.02   0.02) =   0.011%
          HB    VAL   75 - HG3   MET   96   9.41 +/- 1.12   0.571% *  0.2054% (0.23   0.02   0.02) =   0.003%
          QD1   LEU   67 - HG3   MET   96  12.96 +/- 2.49   0.066% *  0.5283% (0.59   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG3   MET   96  12.42 +/- 0.57   0.045% *  0.3320% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG3   MET   96  14.75 +/- 0.74   0.020% *  0.5425% (0.60   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   MET   96  12.98 +/- 2.21   0.064% *  0.1689% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3063 (9.70, 5.36, 56.63 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.44, residual support = 10.9:
      O   HN    LEU   98 - HA    PHE   97   2.22 +/- 0.03 100.000% *100.0000% (0.80  10.0   3.44  10.93) = 100.000%  kept
    Distance limit 2.69 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  99.985% * 99.8692% (0.90  10.0   4.73  62.56) = 100.000%  kept
          HN    LEU  115 - HA    PHE   97  13.59 +/- 1.45   0.013% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    PHE   97  17.38 +/- 1.12   0.003% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.47 +/- 0.15  99.969% * 99.9164% (0.45  10.0 10.00   2.44  62.56) = 100.000%  kept
          HZ3   TRP   87 - HB2   PHE   97  10.55 +/- 1.91   0.031% *  0.0836% (0.38   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 3066 (7.80, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 7.53, residual support = 58.4:
          HN    ASP- 105 - HB2   PHE   97   2.25 +/- 0.46  99.999% * 99.8947% (0.95   7.53  58.42) = 100.000%  kept
          HN    ALA   88 - HB2   PHE   97  16.27 +/- 1.67   0.001% *  0.1053% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 4.83, residual support = 62.6:
      O   HN    PHE   97 - HB2   PHE   97   2.81 +/- 0.48  99.977% * 99.8692% (0.90  10.0   4.83  62.56) = 100.000%  kept
          HN    LEU  115 - HB2   PHE   97  12.58 +/- 1.54   0.019% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB2   PHE   97  16.26 +/- 1.33   0.004% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.982, support = 3.52, residual support = 56.2:
        T HB3   ASP- 105 - HB2   PHE   97   3.38 +/- 1.13  82.388% * 73.5816% (0.99 10.00   3.64  58.42) =  95.460%  kept
        T QB    LYS+ 106 - HB2   PHE   97   5.52 +/- 0.80  11.132% * 25.8751% (0.80 10.00   0.87   8.72) =   4.536%  kept
          HB    ILE  103 - HB2   PHE   97   7.01 +/- 0.75   2.626% *  0.0742% (1.00  1.00   0.02   1.25) =   0.003%
          HG12  ILE  103 - HB2   PHE   97   6.55 +/- 0.77   3.518% *  0.0147% (0.20  1.00   0.02   1.25) =   0.001%
          HG    LEU  123 - HB2   PHE   97  14.08 +/- 3.76   0.170% *  0.0305% (0.41  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PHE   97  14.54 +/- 2.52   0.049% *  0.0741% (1.00  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PHE   97  14.96 +/- 0.80   0.030% *  0.0702% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  14.28 +/- 0.81   0.047% *  0.0185% (0.25  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   PHE   97  15.40 +/- 1.27   0.024% *  0.0279% (0.38  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PHE   97  19.92 +/- 1.31   0.004% *  0.0666% (0.90  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   PHE   97  20.08 +/- 1.11   0.005% *  0.0620% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PHE   97  21.65 +/- 1.04   0.002% *  0.0741% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  19.44 +/- 1.26   0.005% *  0.0305% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 1 structures by 0.20 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.309, support = 4.55, residual support = 16.5:
        T HB2   LEU  104 - HB2   PHE   97   3.19 +/- 0.63  60.114% * 82.5978% (0.31 10.00   4.70  17.44) =  94.000%  kept
          QD2   LEU   40 - HB2   PHE   97   3.93 +/- 0.73  23.276% *  7.1660% (0.38  1.00   1.43   1.45) =   3.158%  kept
          QG2   ILE  103 - HB2   PHE   97   4.31 +/- 0.77  15.581% *  9.6296% (0.25  1.00   2.89   1.25) =   2.841%  kept
          QD1   LEU   67 - HB2   PHE   97  10.20 +/- 2.97   0.541% *  0.0913% (0.34  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - HB2   PHE   97  10.04 +/- 2.37   0.207% *  0.1623% (0.61  1.00   0.02   0.78) =   0.001%
          QG2   VAL  108 - HB2   PHE   97   8.64 +/- 0.72   0.259% *  0.0530% (0.20  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PHE   97  13.08 +/- 0.87   0.016% *  0.2532% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PHE   97  16.88 +/- 1.05   0.005% *  0.0469% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.337, support = 1.61, residual support = 5.11:
        T QD2   LEU   40 - HB3   PHE   97   3.75 +/- 0.91  37.212% * 73.7811% (0.36 10.00   1.09   1.45) =  74.276%  kept
          HB2   LEU  104 - HB3   PHE   97   3.45 +/- 0.92  46.354% * 18.2663% (0.29  1.00   3.29  17.44) =  22.907%  kept
          QG2   ILE  103 - HB3   PHE   97   4.72 +/- 0.95  14.554% *  7.1365% (0.24  1.00   1.59   1.25) =   2.810%  kept
          QD1   LEU   67 - HB3   PHE   97   9.81 +/- 3.25   1.140% *  0.1228% (0.32  1.00   0.02   0.02) =   0.004%
          QD1   ILE  119 - HB3   PHE   97   9.82 +/- 2.68   0.370% *  0.2184% (0.57  1.00   0.02   0.78) =   0.002%
          QG2   VAL  108 - HB3   PHE   97   8.77 +/- 0.89   0.336% *  0.0713% (0.19  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB3   PHE   97  12.88 +/- 1.04   0.028% *  0.3406% (0.89  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   PHE   97  16.55 +/- 1.21   0.006% *  0.0631% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.06 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   2.45 +/- 0.16  99.979% * 99.8821% (0.87  10.0 10.00   2.74  62.56) = 100.000%  kept
          HZ3   TRP   87 - HB3   PHE   97  10.85 +/- 2.16   0.021% *  0.0939% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB3   PHE   97  24.47 +/- 1.32   0.000% *  0.0241% (0.21   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 3072 (7.82, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.46, support = 5.48, residual support = 58.4:
          HN    ASP- 105 - HB3   PHE   97   2.82 +/- 0.58  99.994% * 99.0764% (0.46   5.48  58.42) = 100.000%  kept
          HN    ALA   88 - HB3   PHE   97  16.47 +/- 1.96   0.004% *  0.6447% (0.82   0.02   0.02) =   0.000%
          HN    PHE   55 - HB3   PHE   97  19.08 +/- 1.31   0.001% *  0.2789% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3073 (8.40, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.18, residual support = 62.6:
      O   HN    PHE   97 - HB3   PHE   97   2.96 +/- 0.64  99.960% * 99.8692% (0.85  10.0   5.18  62.56) = 100.000%  kept
          HN    LEU  115 - HB3   PHE   97  12.53 +/- 1.79   0.034% *  0.0999% (0.85   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   PHE   97  16.27 +/- 1.53   0.006% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.734, support = 2.15, residual support = 55.2:
          HB3   ASP- 105 - HB3   PHE   97   3.69 +/- 0.77  80.753% * 66.6035% (0.72  1.00   2.26  58.42) =  93.585%  kept
          QB    LYS+ 106 - HB3   PHE   97   5.70 +/- 1.17  16.682% * 21.3555% (0.93  1.00   0.56   8.72) =   6.199%  kept
          HB    ILE  103 - HB3   PHE   97   7.44 +/- 0.87   2.367% *  5.2102% (0.65  1.00   0.20   1.25) =   0.215%
          HG3   PRO   68 - HB3   PHE   97  14.15 +/- 2.79   0.057% *  0.4993% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   PHE   97  14.17 +/- 1.20   0.031% *  0.5605% (0.69  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   PHE   97  15.14 +/- 1.74   0.026% *  0.6695% (0.82  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   PHE   97  14.73 +/- 0.96   0.023% *  0.6695% (0.82  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   PHE   97  14.36 +/- 1.21   0.031% *  0.4061% (0.50  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB3   PHE   97  18.36 +/- 1.93   0.007% *  1.7184% (0.21 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   PHE   97  16.83 +/- 1.14   0.012% *  0.2897% (0.36  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   PHE   97  19.99 +/- 1.65   0.004% *  0.7125% (0.87  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   PHE   97  20.09 +/- 1.25   0.004% *  0.7449% (0.91  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   PHE   97  21.40 +/- 1.35   0.003% *  0.5605% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.353, support = 2.74, residual support = 23.9:
          HG12  ILE  103 - HA    LEU   98   4.32 +/- 0.55  51.840% * 45.3697% (0.25   3.56  24.20) =  65.165%  kept
          HB    VAL   41 - HA    LEU   98   4.75 +/- 0.59  31.326% * 28.7718% (0.38   1.50  31.76) =  24.972%  kept
          QB    LYS+ 102 - HA    LEU   98   5.22 +/- 0.37  16.334% * 21.7640% (0.98   0.43   2.23) =   9.850%  kept
          HB2   LEU   71 - HA    LEU   98   9.36 +/- 0.59   0.454% *  1.0199% (1.00   0.02   0.02) =   0.013%
          QB    LYS+  66 - HA    LEU   98  15.52 +/- 1.58   0.025% *  0.5787% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LEU   98  17.98 +/- 0.96   0.009% *  1.0221% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   98  18.82 +/- 0.67   0.007% *  0.8538% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LEU   98  20.64 +/- 1.08   0.004% *  0.6200% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.724, support = 2.92, residual support = 24.1:
          HA    ILE  103 - HA    LEU   98   2.37 +/- 0.37  97.903% * 76.1071% (0.73   2.92  24.20) =  99.469%  kept
          HA    LEU  104 - HA    LEU   98   4.96 +/- 0.82   2.062% * 19.2739% (0.28   1.93   7.72) =   0.531%  kept
          HA    ASP-  44 - HA    LEU   98  11.49 +/- 0.69   0.011% *  0.6428% (0.90   0.02   0.02) =   0.000%
          HA    THR   39 - HA    LEU   98  10.38 +/- 0.47   0.019% *  0.1993% (0.28   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    LEU   98  15.11 +/- 2.18   0.003% *  0.5204% (0.73   0.02   0.02) =   0.000%
          HA    SER   85 - HA    LEU   98  18.03 +/- 2.11   0.001% *  0.5986% (0.84   0.02   0.02) =   0.000%
          HB    THR   77 - HA    LEU   98  18.97 +/- 1.48   0.001% *  0.5986% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    LEU   98  23.18 +/- 2.55   0.000% *  0.4636% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA    LEU   98  22.23 +/- 1.20   0.000% *  0.2445% (0.34   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    LEU   98  26.12 +/- 2.48   0.000% *  0.5477% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - HA    LEU   98  27.62 +/- 3.18   0.000% *  0.6616% (0.92   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    LEU   98  25.98 +/- 1.37   0.000% *  0.1418% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 3.52, residual support = 4.9:
          HN    ASP- 105 - HA    LEU   98   4.82 +/- 1.02  99.743% * 99.7749% (0.95   3.52   4.90) =  99.999%  kept
          HN    ALA   88 - HA    LEU   98  15.56 +/- 2.19   0.257% *  0.2251% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 9 structures by 0.99 A, kept.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.25, residual support = 17.6:
      O   HN    LYS+  99 - HA    LEU   98   2.32 +/- 0.09  99.633% * 99.7964% (0.80  10.0   4.25  17.63) = 100.000%  kept
          HE1   HIS  122 - HA    LEU   98  10.97 +/- 5.79   0.361% *  0.0905% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LEU   98  11.80 +/- 0.76   0.006% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  22.80 +/- 2.18   0.000% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.76 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 = 3.51, residual support = 7.72:
          HN    LEU  104 - HA    LEU   98   2.89 +/- 1.04  99.927% * 99.6271% (0.92   3.51   7.72) = 100.000%  kept
          HN    PHE   72 - HA    LEU   98  12.55 +/- 0.42   0.073% *  0.3729% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 2 structures by 0.24 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.15, residual support = 80.6:
      O   HN    LEU   98 - HA    LEU   98   2.93 +/- 0.01 100.000% *100.0000% (0.98  10.0   5.15  80.55) = 100.000%  kept
    Distance limit 3.54 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 = 0.427, support = 3.68, residual support = 31.4:
        T HB    VAL   41 - QB    LEU   98   2.33 +/- 0.73  83.043% * 75.9891% (0.42 10.00   3.70  31.76) =  96.206%  kept
          HG12  ILE  103 - QB    LEU   98   4.07 +/- 0.97  15.114% * 15.7699% (0.56  1.00   3.12  24.20) =   3.634%  kept
          HB    ILE  103 - QB    LEU   98   5.45 +/- 0.94   1.674% *  6.2445% (0.60  1.00   1.16  24.20) =   0.159%
        T QB    LYS+ 106 - QB    LEU   98   7.91 +/- 0.95   0.081% *  0.4818% (0.27 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - QB    LEU   98   9.92 +/- 0.75   0.019% *  0.7599% (0.42 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QB    LEU   98   8.34 +/- 0.93   0.063% *  0.0947% (0.53  1.00   0.02   4.90) =   0.000%
          HG    LEU  123 - QB    LEU   98  17.01 +/- 3.60   0.002% *  0.1400% (0.78  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QB    LEU   98  14.93 +/- 1.85   0.001% *  0.1134% (0.63  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    LEU   98  14.27 +/- 1.41   0.002% *  0.0482% (0.27  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QB    LEU   98  16.28 +/- 1.17   0.001% *  0.0533% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QB    LEU   98  17.93 +/- 1.79   0.001% *  0.0642% (0.36  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QB    LEU   98  20.49 +/- 1.20   0.000% *  0.1400% (0.78  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QB    LEU   98  22.10 +/- 1.35   0.000% *  0.1010% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.268, support = 3.87, residual support = 17.6:
          HN    LYS+  99 - QB    LEU   98   2.88 +/- 0.23  99.534% * 97.3703% (0.27   3.87  17.63) =  99.997%  kept
          HN    ASN   35 - QB    LEU   98   8.79 +/- 0.69   0.146% *  1.3607% (0.72   0.02   0.02) =   0.002%
          HE1   HIS  122 - QB    LEU   98  10.90 +/- 4.84   0.318% *  0.4062% (0.22   0.02   0.02) =   0.001%
          HN    ALA   12 - QB    LEU   98  22.18 +/- 2.47   0.001% *  0.6114% (0.33   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    LEU   98  19.13 +/- 1.94   0.001% *  0.2514% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 2.96, residual support = 31.8:
          HN    VAL   41 - QB    LEU   98   3.49 +/- 0.57 100.000% *100.0000% (0.85   2.96  31.76) = 100.000%  kept
    Distance limit 3.92 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 4.97, residual support = 80.6:
      O   HN    LEU   98 - QB    LEU   98   2.78 +/- 0.23 100.000% *100.0000% (0.85  10.0   4.97  80.55) = 100.000%  kept
    Distance limit 3.26 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 = 80.6:
      O   HA    LEU   98 - HG    LEU   98   2.96 +/- 0.43 100.000% *100.0000% (0.69  10.0   4.04  80.55) = 100.000%  kept
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3086 (9.69, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.96, residual support = 80.6:
          HN    LEU   98 - HG    LEU   98   3.26 +/- 0.63 100.000% *100.0000% (0.98   3.96  80.55) = 100.000%  kept
    Distance limit 3.68 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.249, support = 4.18, residual support = 24.2:
        T HA    ILE  103 - QD1   LEU   98   2.75 +/- 0.54  98.435% * 95.3462% (0.25 10.00   4.18  24.20) =  99.969%  kept
        T HA    LEU  104 - QD1   LEU   98   6.24 +/- 0.48   0.965% *  2.9222% (0.76 10.00   0.02   7.72) =   0.030%
          HA    ASP-  44 - QD1   LEU   98   8.29 +/- 1.31   0.464% *  0.1572% (0.41  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD1   LEU   98  10.04 +/- 1.78   0.092% *  0.3815% (1.00  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   LEU   98  12.49 +/- 1.66   0.025% *  0.1304% (0.34  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   LEU   98  13.44 +/- 1.26   0.014% *  0.1304% (0.34  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   98  19.21 +/- 2.31   0.002% *  0.3815% (1.00  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   98  21.58 +/- 2.46   0.001% *  0.3790% (0.99  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   LEU   98  22.90 +/- 2.74   0.001% *  0.1714% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.77, support = 0.02, residual support = 0.0876:
          HD1   TRP   27 - QD1   LEU   98   7.87 +/- 0.98  64.703% * 33.8723% (0.84   0.02   0.02) =  73.433%  kept
          HE21  GLN   30 - QD1   LEU   98   9.72 +/- 2.44  27.930% * 19.7390% (0.49   0.02   0.39) =  18.472%  kept
          QD    PHE   59 - QD1   LEU   98  12.03 +/- 1.49   6.994% * 33.8723% (0.84   0.02   0.02) =   7.938%  kept
          HH2   TRP   49 - QD1   LEU   98  19.45 +/- 1.59   0.372% * 12.5164% (0.31   0.02   0.02) =   0.156%
    Distance limit 3.50 A violated in 18 structures by 3.57 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 = 16.7:
        T QD1   LEU  104 - HB2   LYS+  99   2.12 +/- 0.30  99.979% * 98.4796% (0.69 10.00   2.96  16.68) = 100.000%  kept
        T QD1   LEU   73 - HB2   LYS+  99  10.70 +/- 0.88   0.011% *  0.2212% (0.15 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HB2   LYS+  99  12.35 +/- 1.73   0.006% *  0.2212% (0.15 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HB2   LYS+  99  16.45 +/- 1.02   0.001% *  0.8117% (0.57 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LYS+  99  15.10 +/- 1.20   0.001% *  0.1430% (1.00  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LYS+  99  14.95 +/- 2.15   0.001% *  0.0589% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LYS+  99  16.10 +/- 1.15   0.001% *  0.0643% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.945, support = 2.41, residual support = 11.5:
        T QD2   LEU   40 - HB2   LYS+  99   3.36 +/- 0.79  96.769% * 96.7048% (0.95 10.00   2.42  11.46) =  99.933%  kept
          QG2   ILE  103 - HB2   LYS+  99   7.03 +/- 0.47   2.126% *  2.9135% (1.00  1.00   0.57   0.02) =   0.066%
          QD1   ILE  103 - HB2   LYS+  99   8.53 +/- 0.67   0.740% *  0.0498% (0.49  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB2   LYS+  99  11.81 +/- 2.88   0.164% *  0.0987% (0.97  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   LYS+  99  10.76 +/- 0.85   0.143% *  0.0620% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  99  13.92 +/- 3.20   0.045% *  0.0316% (0.31  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  99  17.06 +/- 1.01   0.010% *  0.0384% (0.38  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LYS+  99  20.84 +/- 1.08   0.003% *  0.1013% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.79, residual support = 173.0:
      O   HN    LYS+  99 - HB2   LYS+  99   2.97 +/- 0.20  98.568% * 99.4797% (0.31  10.0   4.79 173.01) =  99.999%  kept
          HE1   HIS  122 - HB2   LYS+  99  10.91 +/- 5.80   1.390% *  0.0804% (0.25   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HB2   LYS+  99  11.66 +/- 1.06   0.040% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   LYS+  99  26.28 +/- 3.43   0.001% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+  99  22.99 +/- 2.90   0.001% *  0.0497% (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 3092 (8.34, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.21, residual support = 173.0:
      O   HN    LYS+  99 - HA    LYS+  99   2.91 +/- 0.03  99.141% * 99.7964% (0.80  10.0   5.21 173.01) =  99.999%  kept
          HE1   HIS  122 - HA    LYS+  99  11.33 +/- 5.42   0.714% *  0.0905% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HA    LYS+  99   9.12 +/- 1.02   0.144% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  99  20.85 +/- 2.80   0.001% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 39.9:
      O   HN    GLU- 100 - HA    LYS+  99   2.18 +/- 0.00 100.000% *100.0000% (0.84  10.0   6.83  39.92) = 100.000%  kept
    Distance limit 2.91 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 = 0.826, support = 5.11, residual support = 183.4:
      O   QE    LYS+  99 - HG2   LYS+  99   2.65 +/- 0.57  47.017% * 79.1619% (0.99  10.0   5.27 173.01) =  77.468%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.59 +/- 0.50  52.573% * 20.5905% (0.26  10.0   4.58 219.14) =  22.531%  kept
          QE    LYS+  38 - HG2   LYS+  99   7.68 +/- 1.06   0.207% *  0.0756% (0.95   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  99   9.22 +/- 1.22   0.050% *  0.0610% (0.76   1.0   0.02   1.70) =   0.000%
          QE    LYS+  99 - HG2   LYS+  38   8.30 +/- 1.29   0.102% *  0.0216% (0.27   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  99   8.79 +/- 0.76   0.041% *  0.0272% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  38  12.96 +/- 1.81   0.007% *  0.0166% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  99  17.00 +/- 1.28   0.001% *  0.0300% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  15.58 +/- 0.93   0.002% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  17.87 +/- 0.68   0.001% *  0.0082% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 7.07, residual support = 173.0:
      O T HA    LYS+  99 - HG2   LYS+  99   2.65 +/- 0.38  74.813% * 98.9579% (0.84  10.0 10.00   7.07 173.01) =  99.984%  kept
          HA    LEU   40 - HG2   LYS+  99   4.19 +/- 0.94   9.617% *  0.0671% (0.57   1.0  1.00   0.02  11.46) =   0.009%
          HA    ASN   35 - HG2   LYS+  38   3.90 +/- 0.88  15.215% *  0.0305% (0.26   1.0  1.00   0.02   0.02) =   0.006%
        T HA    LYS+  99 - HG2   LYS+  38   8.58 +/- 0.74   0.092% *  0.2697% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   LYS+  99   8.48 +/- 1.29   0.130% *  0.1121% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   LYS+  38   8.12 +/- 0.49   0.120% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  99  16.11 +/- 6.11   0.008% *  0.1182% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  21.08 +/- 5.80   0.001% *  0.0322% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  99  18.98 +/- 1.98   0.001% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  23.80 +/- 1.19   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  99  23.06 +/- 3.08   0.000% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  20.61 +/- 3.48   0.001% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  38  18.50 +/- 2.05   0.001% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  23.53 +/- 1.73   0.000% *  0.0577% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  23.19 +/- 1.37   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  29.01 +/- 1.12   0.000% *  0.0312% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  27.27 +/- 0.75   0.000% *  0.0133% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  30.00 +/- 1.75   0.000% *  0.0157% (0.13   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 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.0797, support = 5.17, residual support = 12.6:
          HA    SER   37 - HA    LYS+  38   5.19 +/- 0.02  45.362% * 43.5691% (0.05  1.00   5.57  13.62) =  92.563%  kept
          HA    LEU   40 - HA    GLU- 100   5.84 +/- 1.39  35.053% *  2.7113% (0.80  1.00   0.02   0.02) =   4.451%  kept
          HA    LEU   40 - HA    LYS+  38   6.08 +/- 0.06  17.368% *  3.4533% (0.05  1.00   0.42   0.02) =   2.809%  kept
          HA    SER   37 - HA    GLU- 100  10.05 +/- 1.69   1.181% *  2.5877% (0.76  1.00   0.02   0.02) =   0.143%
          HA    VAL   42 - HA    GLU- 100  10.95 +/- 1.09   0.520% *  0.7539% (0.22  1.00   0.02   0.02) =   0.018%
        T HA    PRO   58 - HA    GLU- 100  25.27 +/- 1.72   0.003% * 31.2573% (0.92 10.00   0.02   0.02) =   0.005%
          HA    GLU-  15 - HA    GLU- 100  19.53 +/- 2.55   0.021% *  3.2031% (0.95  1.00   0.02   0.02) =   0.003%
          HA    SER   13 - HA    GLU- 100  22.84 +/- 4.07   0.013% *  3.2031% (0.95  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - HA    GLU- 100  20.90 +/- 2.04   0.011% *  2.5877% (0.76  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HA    GLU- 100  20.12 +/- 6.20   0.035% *  0.6701% (0.20  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HA    GLU- 100  23.45 +/- 1.17   0.005% *  2.8283% (0.84  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HA    LYS+  38  12.24 +/- 0.14   0.267% *  0.0456% (0.01  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HA    LYS+  38  16.96 +/- 1.99   0.047% *  0.1935% (0.06  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HA    LYS+  38  19.60 +/- 3.47   0.035% *  0.1935% (0.06  1.00   0.02   0.02) =   0.000%
        T HA    PRO   58 - HA    LYS+  38  25.19 +/- 0.80   0.004% *  1.8888% (0.06 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HA    LYS+  38  19.35 +/- 1.44   0.020% *  0.1564% (0.05  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HA    LYS+  38  19.59 +/- 5.96   0.046% *  0.0405% (0.01  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    GLU- 100  26.02 +/- 1.36   0.003% *  0.4583% (0.14  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HA    LYS+  38  24.85 +/- 0.42   0.004% *  0.1709% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    LYS+  38  26.90 +/- 1.12   0.002% *  0.0277% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 11 structures by 0.97 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   2.99 +/- 0.33  99.322% * 99.9940% (1.00  10.0   3.86  14.94) = 100.000%  kept
          HN    GLY  101 - HA    LYS+  38   7.59 +/- 1.12   0.678% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.39, residual support = 75.8:
      O   HN    GLU- 100 - HA    GLU- 100   2.23 +/- 0.07  99.168% * 99.9940% (0.84  10.0   6.39  75.76) = 100.000%  kept
          HN    GLU- 100 - HA    LYS+  38   5.38 +/- 1.03   0.832% *  0.0060% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 0.758, support = 0.0199, residual support = 0.0199:
        T HA    LYS+  33 - HB2   GLU- 100  12.85 +/- 2.02  13.335% * 28.3278% (1.00 10.00   0.02   0.02) =  47.877%  kept
        T HA    GLN   32 - HB2   GLU- 100  11.70 +/- 2.08  26.098% *  8.7627% (0.31 10.00   0.02   0.02) =  28.984%  kept
        T HA    GLU-  29 - HB2   GLU- 100  16.15 +/- 2.00   3.499% * 27.8286% (0.98 10.00   0.02   0.02) =  12.340%  kept
          HA    VAL   70 - HB2   GLU- 100  12.10 +/- 1.34  21.173% *  2.3714% (0.84  1.00   0.02   0.02) =   6.363%  kept
          HB2   SER   37 - HB2   GLU- 100  11.25 +/- 2.02  33.079% *  0.5618% (0.20  1.00   0.02   0.02) =   2.355%  kept
        T HA    GLN  116 - HB2   GLU- 100  23.14 +/- 2.43   0.484% * 23.7140% (0.84 10.00   0.02   0.02) =   1.453%  kept
          HA    VAL   18 - HB2   GLU- 100  20.03 +/- 1.42   1.005% *  2.7399% (0.97  1.00   0.02   0.02) =   0.349%
          HB2   SER   82 - HB2   GLU- 100  23.43 +/- 2.03   0.542% *  2.6208% (0.92  1.00   0.02   0.02) =   0.180%
          HA    ALA   88 - HB2   GLU- 100  23.47 +/- 2.68   0.591% *  0.9684% (0.34  1.00   0.02   0.02) =   0.073%
          HA    SER   48 - HB2   GLU- 100  30.48 +/- 1.38   0.097% *  1.6074% (0.57  1.00   0.02   0.02) =   0.020%
          HD2   PRO   52 - HB2   GLU- 100  30.45 +/- 1.58   0.098% *  0.4972% (0.18  1.00   0.02   0.02) =   0.006%
    Distance limit 3.34 A violated in 20 structures by 5.83 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.447, support = 5.28, residual support = 39.8:
          HG2   LYS+  99 - HG2   GLU- 100   4.02 +/- 0.76  61.335% * 97.5053% (0.45   5.30  39.92) =  99.701%  kept
          HG2   LYS+  38 - HG2   GLU- 100   5.10 +/- 1.95  38.553% *  0.4648% (0.57   0.02   0.02) =   0.299%
          HB2   LEU   31 - HG2   GLU- 100  11.39 +/- 1.82   0.104% *  0.1438% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   GLU- 100  20.23 +/- 1.32   0.002% *  0.8047% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   GLU- 100  20.47 +/- 2.16   0.002% *  0.7362% (0.90   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   GLU- 100  19.64 +/- 1.40   0.003% *  0.1625% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG2   GLU- 100  28.16 +/- 3.14   0.000% *  0.1828% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 7 structures by 0.73 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 4.09, residual support = 39.9:
          HG2   LYS+  99 - HG3   GLU- 100   2.87 +/- 0.79  84.553% * 96.7983% (0.45   4.10  39.92) =  99.888%  kept
          HG2   LYS+  38 - HG3   GLU- 100   6.07 +/- 2.00  15.399% *  0.5965% (0.57   0.02   0.02) =   0.112%
          HB2   LEU   31 - HG3   GLU- 100  11.63 +/- 1.60   0.044% *  0.1845% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLU- 100  19.65 +/- 1.04   0.001% *  1.0327% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLU- 100  19.81 +/- 1.97   0.001% *  0.9449% (0.90   0.02   0.02) =   0.000%
          QG2   THR   23 - HG3   GLU- 100  19.59 +/- 0.96   0.001% *  0.2085% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   GLU- 100  26.91 +/- 2.99   0.000% *  0.2346% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 1 structures by 0.17 A, kept.
 
    Peak 3105 (3.81, 2.12, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.46, residual support = 75.8:
      O   HA    GLU- 100 - HG3   GLU- 100   3.02 +/- 0.41  85.920% * 99.7364% (1.00  10.0   4.46  75.76) =  99.997%  kept
          HA    LYS+  38 - HG3   GLU- 100   5.06 +/- 1.97  14.078% *  0.0198% (0.20   1.0   0.02   0.02) =   0.003%
          HA    VAL   83 - HG3   GLU- 100  20.05 +/- 1.25   0.002% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   GLU- 100  26.92 +/- 1.23   0.000% *  0.0991% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  26.94 +/- 1.35   0.000% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3106 (10.11, 2.12, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.32, residual support = 75.8:
          HN    GLU- 100 - HG3   GLU- 100   2.67 +/- 0.55 100.000% *100.0000% (0.97   4.32  75.76) = 100.000%  kept
    Distance limit 3.98 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 = 6.5, residual support = 75.8:
          HN    GLU- 100 - HG2   GLU- 100   3.29 +/- 0.73 100.000% *100.0000% (0.84   6.50  75.76) = 100.000%  kept
    Distance limit 4.08 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 = 4.64, residual support = 159.3:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.56 +/- 0.07  99.230% * 99.6342% (1.00  10.0   4.64 159.35) = 100.000%  kept
          HN    LYS+ 102 - HB    VAL   41   6.99 +/- 1.31   0.639% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB    VAL   41   8.52 +/- 0.29   0.076% *  0.0272% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    VAL   41  10.58 +/- 0.43   0.021% *  0.0433% (0.43   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    LYS+ 102  12.11 +/- 1.52   0.012% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    LYS+ 102  13.60 +/- 1.79   0.006% *  0.0964% (0.97   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    LYS+ 102  13.40 +/- 1.59   0.006% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  12.23 +/- 1.17   0.010% *  0.0290% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3109 (8.62, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.45, residual support = 22.4:
          HN    ILE  103 - QB    LYS+ 102   3.09 +/- 0.48  99.402% * 98.9445% (1.00   5.45  22.38) =  99.999%  kept
          HN    ILE  103 - HB    VAL   41   7.80 +/- 0.83   0.575% *  0.1632% (0.45   0.02   0.02) =   0.001%
          HN    GLN   90 - QB    LYS+ 102  18.17 +/- 1.93   0.004% *  0.3436% (0.95   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    VAL   41  17.81 +/- 1.46   0.005% *  0.1544% (0.43   0.02   0.02) =   0.000%
          HN    GLY  109 - QB    LYS+ 102  17.94 +/- 0.93   0.003% *  0.1911% (0.53   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    VAL   41  18.26 +/- 0.68   0.003% *  0.0859% (0.24   0.02   0.02) =   0.000%
          HN    SER   82 - QB    LYS+ 102  19.08 +/- 1.57   0.003% *  0.0809% (0.22   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  17.32 +/- 1.14   0.005% *  0.0363% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3110 (7.78, 1.45, 25.01 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 4.42, residual support = 159.3:
          HN    LYS+ 102 - HG2   LYS+ 102   3.81 +/- 0.35  98.658% * 99.2118% (0.73   4.42 159.35) =  99.997%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.42 +/- 1.52   1.211% *  0.2321% (0.38   0.02   0.02) =   0.003%
          HN    GLU-  36 - HG2   LYS+ 102  15.40 +/- 1.39   0.032% *  0.3254% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - HG2   LYS+ 102  14.01 +/- 1.35   0.059% *  0.1083% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG2   LYS+ 102  15.45 +/- 2.26   0.041% *  0.1224% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3111 (3.95, 4.28, 62.30 ppm):
    20 chemical-shift based assignments, quality = 0.634, support = 0.0197, residual support = 0.0197:
        T QB    SER   85 - HA    ILE  103  15.86 +/- 1.78   5.783% * 19.9520% (0.90 10.00   0.02   0.02) =  33.239%  kept
        T QB    SER  117 - HA    ILE  103  14.05 +/- 1.81  12.854% *  7.5887% (0.34 10.00   0.02   0.02) =  28.101%  kept
          HB    THR   94 - HA    ILE  103  12.19 +/- 0.51  25.118% *  1.7002% (0.76  1.00   0.02   0.02) =  12.302%  kept
          HA    LYS+ 121 - HA    ILE  103  15.00 +/- 3.97  12.684% *  1.5282% (0.69  1.00   0.02   0.02) =   5.584%  kept
        T QB    SER   48 - HA    ILE  103  21.65 +/- 1.56   0.934% * 19.2979% (0.87 10.00   0.02   0.02) =   5.191%  kept
          HA    ALA  120 - HA    ILE  103  17.33 +/- 3.37   4.185% *  2.2050% (0.99  1.00   0.02   0.02) =   2.659%  kept
        T QB    SER  117 - HA    THR   39  18.52 +/- 2.45   3.075% *  2.5072% (0.11 10.00   0.02   0.02) =   2.221%  kept
          HA2   GLY   16 - HA    THR   39  14.94 +/- 2.38  11.643% *  0.6592% (0.30  1.00   0.02   0.02) =   2.211%  kept
          HA    LYS+  65 - HA    THR   39  15.30 +/- 0.88   6.913% *  0.6139% (0.28  1.00   0.02   0.02) =   1.223%  kept
        T HD2   PRO   52 - HA    ILE  103  22.49 +/- 1.50   0.750% *  5.5474% (0.25 10.00   0.02   0.02) =   1.198%  kept
        T HA2   GLY   51 - HA    ILE  103  25.73 +/- 1.25   0.304% * 13.4936% (0.61 10.00   0.02   0.02) =   1.183%  kept
          HA    ALA  120 - HA    THR   39  17.53 +/- 4.36   5.408% *  0.7285% (0.33  1.00   0.02   0.02) =   1.135%  kept
          HA    LYS+ 121 - HA    THR   39  16.54 +/- 3.82   6.270% *  0.5049% (0.23  1.00   0.02   0.02) =   0.912%  kept
        T QB    SER   85 - HA    THR   39  23.73 +/- 1.05   0.462% *  6.5917% (0.30 10.00   0.02   0.02) =   0.878%  kept
          HA    LYS+  65 - HA    ILE  103  20.58 +/- 1.08   1.140% *  1.8582% (0.84  1.00   0.02   0.02) =   0.610%  kept
        T QB    SER   48 - HA    THR   39  26.34 +/- 1.15   0.269% *  6.3756% (0.29 10.00   0.02   0.02) =   0.493%
          HA2   GLY   16 - HA    ILE  103  21.99 +/- 1.60   0.795% *  1.9952% (0.90  1.00   0.02   0.02) =   0.457%
          HB    THR   94 - HA    THR   39  20.59 +/- 0.87   1.147% *  0.5617% (0.25  1.00   0.02   0.02) =   0.186%
        T HA2   GLY   51 - HA    THR   39  30.67 +/- 0.94   0.102% *  4.4580% (0.20 10.00   0.02   0.02) =   0.131%
        T HD2   PRO   52 - HA    THR   39  28.43 +/- 1.16   0.165% *  1.8327% (0.08 10.00   0.02   0.02) =   0.087%
    Distance limit 3.09 A violated in 20 structures by 6.58 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.01, residual support = 36.1:
      O   HN    LEU  104 - HA    ILE  103   2.33 +/- 0.29  99.960% * 99.8797% (0.92  10.0   6.01  36.05) = 100.000%  kept
          HN    PHE   72 - HA    THR   39   9.34 +/- 0.60   0.032% *  0.0217% (0.20   1.0   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    ILE  103  14.16 +/- 0.44   0.003% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU  104 - HA    THR   39  12.34 +/- 0.87   0.005% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3114 (7.75, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.332, support = 3.85, residual support = 38.3:
      O   HN    THR   39 - HA    THR   39   2.86 +/- 0.02  96.174% * 72.7551% (0.33  10.0   3.85  38.55) =  98.689%  kept
          HN    LYS+ 102 - HA    ILE  103   4.99 +/- 0.21   3.550% * 26.1874% (0.65   1.0   3.64  22.38) =   1.311%  kept
          HN    GLU-  36 - HA    THR   39   8.13 +/- 0.18   0.184% *  0.0613% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  11.59 +/- 1.60   0.028% *  0.2217% (1.00   1.0   0.02   4.14) =   0.000%
          HN    THR   39 - HA    ILE  103  13.28 +/- 0.65   0.010% *  0.2202% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    THR   39  11.07 +/- 1.23   0.038% *  0.0475% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  15.63 +/- 0.93   0.004% *  0.1856% (0.84   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  16.02 +/- 1.09   0.003% *  0.1081% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  17.35 +/- 2.18   0.003% *  0.0440% (0.20   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.67 +/- 0.53   0.003% *  0.0357% (0.16   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  20.49 +/- 0.91   0.001% *  0.0732% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  18.35 +/- 0.93   0.001% *  0.0343% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  18.46 +/- 0.81   0.001% *  0.0113% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  26.25 +/- 1.43   0.000% *  0.0145% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 4.18, residual support = 24.2:
        T QD1   LEU   98 - HA    ILE  103   2.75 +/- 0.54  99.872% * 99.6453% (0.41 10.00   4.18  24.20) = 100.000%  kept
          QD1   LEU   98 - HA    THR   39  10.03 +/- 0.93   0.103% *  0.0329% (0.14  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    THR   39  12.82 +/- 1.60   0.020% *  0.0799% (0.33  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    ILE  103  16.19 +/- 1.05   0.004% *  0.2418% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.397, support = 2.21, residual support = 3.83:
          HN    ASP- 105 - QG2   ILE  103   3.28 +/- 0.50  97.315% * 26.5668% (0.38   2.15   2.59) =  93.720%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.33 +/- 0.16   2.378% * 72.8422% (0.73   3.05  22.38) =   6.279%  kept
          HD1   TRP   87 - QG2   ILE  103   9.47 +/- 1.35   0.271% *  0.1301% (0.20   0.02   4.14) =   0.001%
          HN    GLU-  36 - QG2   ILE  103  15.67 +/- 0.71   0.011% *  0.3458% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   ILE  103  13.59 +/- 0.49   0.025% *  0.1151% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.33, residual support = 36.1:
          HN    LEU  104 - QG2   ILE  103   2.57 +/- 0.49  99.992% * 99.9383% (0.90   6.33  36.05) = 100.000%  kept
          HN    PHE   72 - QG2   ILE  103  13.54 +/- 0.56   0.008% *  0.0617% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3118 (8.62, 1.86, 38.31 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.73, residual support = 135.6:
      O   HN    ILE  103 - HB    ILE  103   2.16 +/- 0.10  99.998% * 99.8308% (1.00  10.0   6.73 135.65) = 100.000%  kept
          HN    GLN   90 - HB    ILE  103  15.90 +/- 1.89   0.001% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    ILE  103  15.41 +/- 0.91   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  18.46 +/- 1.55   0.000% *  0.0222% (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 3119 (4.31, 1.82, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.2, support = 5.98, residual support = 135.6:
      O T HA    ILE  103 - HG12  ILE  103   2.50 +/- 0.23  99.626% * 97.9216% (0.20  10.0 10.00   5.98 135.65) =  99.999%  kept
          HA    LEU  104 - HG12  ILE  103   6.55 +/- 0.15   0.335% *  0.3001% (0.61   1.0  1.00   0.02  36.05) =   0.001%
          HA    ASP-  86 - HG12  ILE  103  11.42 +/- 2.14   0.018% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG12  ILE  103  11.10 +/- 0.95   0.015% *  0.1614% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG12  ILE  103  14.30 +/- 2.07   0.004% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG12  ILE  103  16.41 +/- 1.62   0.001% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG12  ILE  103  25.53 +/- 2.49   0.000% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG12  ILE  103  28.42 +/- 2.82   0.000% *  0.3892% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  29.92 +/- 3.29   0.000% *  0.1761% (0.36   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 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.92, residual support = 135.6:
          HN    ILE  103 - HG12  ILE  103   2.81 +/- 0.27  99.985% * 99.5128% (0.80   6.92 135.65) = 100.000%  kept
          HN    GLN   90 - HG12  ILE  103  14.80 +/- 1.80   0.007% *  0.2719% (0.76   0.02   0.02) =   0.000%
          HN    GLY  109 - HG12  ILE  103  15.32 +/- 1.07   0.005% *  0.1512% (0.42   0.02   0.02) =   0.000%
          HN    SER   82 - HG12  ILE  103  16.63 +/- 1.51   0.003% *  0.0640% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.26, residual support = 135.6:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  99.987% * 99.2748% (0.58  10.0 10.00   4.26 135.65) = 100.000%  kept
          QG2   THR   94 - HG12  ILE  103   8.12 +/- 0.52   0.011% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   71 - HG12  ILE  103  13.01 +/- 1.20   0.001% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  103  11.37 +/- 0.89   0.002% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  21.50 +/- 1.44   0.000% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  22.23 +/- 2.53   0.000% *  0.0513% (0.30   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 3122 (0.98, 1.82, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.459, support = 4.74, residual support = 135.6:
      O T QD1   ILE  103 - HG12  ILE  103   2.15 +/- 0.01  90.941% * 32.5765% (0.39  10.0 10.00   4.62 135.65) =  83.176%  kept
      O T QG2   ILE  103 - HG12  ILE  103   3.18 +/- 0.12   8.974% * 66.7776% (0.80  10.0 10.00   5.32 135.65) =  16.824%  kept
          QD2   LEU   40 - HG12  ILE  103   7.18 +/- 0.68   0.077% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG12  ILE  103  12.99 +/- 0.99   0.002% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG12  ILE  103  14.36 +/- 2.51   0.002% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  12.34 +/- 1.21   0.003% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  15.14 +/- 2.52   0.001% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  103  17.85 +/- 1.20   0.000% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3123 (0.70, 1.82, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.718, support = 4.72, residual support = 24.2:
          QD1   LEU   98 - HG12  ILE  103   2.53 +/- 0.79  99.995% * 99.6950% (0.72   4.72  24.20) = 100.000%  kept
          QG2   ILE   19 - HG12  ILE  103  16.16 +/- 1.17   0.005% *  0.3050% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3124 (0.95, 1.16, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.771, support = 4.03, residual support = 135.6:
      O   QD1   ILE  103 - HG13  ILE  103   2.15 +/- 0.01  65.976% * 82.5087% (0.84  10.0   3.97 135.65) =  90.243%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.41 +/- 0.15  34.021% * 17.2996% (0.18  10.0   4.65 135.65) =   9.757%  kept
          QG2   ILE  119 - HG13  ILE  103  14.13 +/- 2.58   0.001% *  0.0953% (0.97   1.0   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  103  13.00 +/- 0.82   0.001% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  17.27 +/- 1.03   0.000% *  0.0246% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.55 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 = 2.39, residual support = 24.2:
          QD1   LEU   98 - HG13  ILE  103   2.84 +/- 0.75  99.990% * 99.3993% (0.90   2.39  24.20) = 100.000%  kept
          QG2   ILE   19 - HG13  ILE  103  16.03 +/- 1.01   0.010% *  0.6007% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 1 structures by 0.10 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.552, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   ILE  103  10.02 +/- 1.16  59.285% * 17.5479% (0.45   0.02   0.02) =  51.597%  kept
          HE21  GLN   30 - QD1   ILE  103  13.09 +/- 2.41  17.399% * 30.1124% (0.77   0.02   0.02) =  25.984%  kept
          QD    PHE   59 - QD1   ILE  103  12.43 +/- 1.52  20.830% * 17.5479% (0.45   0.02   0.02) =  18.129%  kept
          HH2   TRP   49 - QD1   ILE  103  18.08 +/- 1.72   2.486% * 34.7918% (0.89   0.02   0.02) =   4.290%  kept
    Distance limit 3.95 A violated in 20 structures by 5.15 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 0.745, residual support = 4.14:
          HE3   TRP   87 - QD1   ILE  103   3.79 +/- 1.86  96.314% * 48.4021% (0.52   0.75   4.14) =  97.579%  kept
          HN    TRP   87 - QD1   ILE  103   7.44 +/- 1.66   2.440% * 46.9128% (0.67   0.57   4.14) =   2.396%  kept
          HD21  ASN   69 - QD1   ILE  103  15.33 +/- 1.26   0.338% *  1.5660% (0.63   0.02   0.02) =   0.011%
          HN    GLN   17 - QD1   ILE  103  18.31 +/- 1.02   0.137% *  1.9776% (0.80   0.02   0.02) =   0.006%
          HN    ALA   91 - QD1   ILE  103  11.73 +/- 1.79   0.478% *  0.5076% (0.21   0.02   0.02) =   0.005%
          HN    ALA   61 - QD1   ILE  103  15.81 +/- 0.85   0.293% *  0.6339% (0.26   0.02   0.02) =   0.004%
    Distance limit 3.61 A violated in 2 structures by 0.53 A, kept.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.68, residual support = 135.6:
          HN    ILE  103 - QD1   ILE  103   3.46 +/- 0.59  99.694% * 99.4069% (0.92   5.68 135.65) =  99.999%  kept
          HN    GLN   90 - QD1   ILE  103  10.99 +/- 1.41   0.146% *  0.3311% (0.87   0.02   0.02) =   0.000%
          HN    GLY  109 - QD1   ILE  103  11.51 +/- 0.91   0.114% *  0.1841% (0.49   0.02   0.02) =   0.000%
          HN    SER   82 - QD1   ILE  103  13.28 +/- 1.26   0.046% *  0.0779% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 5.3, residual support = 135.6:
      O   HA    ILE  103 - HG13  ILE  103   2.59 +/- 0.41  99.275% * 99.0827% (0.73  10.0   5.30 135.65) = 100.000%  kept
          HA    LEU  104 - HG13  ILE  103   6.24 +/- 0.36   0.612% *  0.0379% (0.28   1.0   0.02  36.05) =   0.000%
          HA    ASP-  44 - HG13  ILE  103  10.12 +/- 1.03   0.047% *  0.1224% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG13  ILE  103  11.90 +/- 2.21   0.042% *  0.0991% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HG13  ILE  103  14.30 +/- 2.22   0.014% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HG13  ILE  103  15.87 +/- 1.60   0.004% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HG13  ILE  103  14.41 +/- 0.79   0.004% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG13  ILE  103  20.09 +/- 1.19   0.001% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG13  ILE  103  25.25 +/- 2.27   0.000% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  28.36 +/- 2.57   0.000% *  0.1043% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  30.00 +/- 3.18   0.000% *  0.1260% (0.92   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  23.38 +/- 1.53   0.000% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 6.1, residual support = 135.6:
          HN    ILE  103 - HG13  ILE  103   3.89 +/- 0.18  99.866% * 99.4475% (1.00   6.10 135.65) = 100.000%  kept
          HN    GLN   90 - HG13  ILE  103  14.24 +/- 1.93   0.058% *  0.3084% (0.95   0.02   0.02) =   0.000%
          HN    GLY  109 - HG13  ILE  103  13.90 +/- 1.15   0.058% *  0.1715% (0.53   0.02   0.02) =   0.000%
          HN    SER   82 - HG13  ILE  103  16.80 +/- 1.48   0.017% *  0.0726% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.23, residual support = 135.6:
          HN    ILE  103 - QG2   ILE  103   3.57 +/- 0.08  99.824% * 99.2230% (0.69   6.23 135.65) =  99.999%  kept
          HN    GLY  109 - QG2   ILE  103  11.22 +/- 0.66   0.113% *  0.4478% (0.97   0.02   0.02) =   0.001%
          HN    GLN   90 - QG2   ILE  103  12.97 +/- 1.46   0.058% *  0.2259% (0.49   0.02   0.02) =   0.000%
          HE1   HIS   22 - QG2   ILE  103  20.85 +/- 2.68   0.005% *  0.1033% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3132 (4.62, 1.86, 38.31 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.78, residual support = 22.4:
          HA    LYS+ 102 - HB    ILE  103   4.42 +/- 0.17  99.946% * 98.7661% (0.38   4.78  22.38) = 100.000%  kept
          HA    ALA   20 - HB    ILE  103  20.29 +/- 0.85   0.012% *  1.0161% (0.92   0.02   0.02) =   0.000%
          HA    LEU   71 - HB    ILE  103  16.36 +/- 0.54   0.042% *  0.2178% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.40 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 4.69, residual support = 17.4:
        T HB2   PHE   97 - HB2   LEU  104   3.19 +/- 0.63  85.770% * 96.2210% (0.82 10.00   4.70  17.44) =  99.865%  kept
          QE    LYS+ 106 - HB2   LEU  104   7.12 +/- 1.39   3.038% *  3.5859% (0.78  1.00   0.79   0.02) =   0.132%
          QE    LYS+  99 - HB2   LEU  104   5.56 +/- 1.04  11.172% *  0.0254% (0.22  1.00   0.02  16.68) =   0.003%
          HB3   PHE   60 - HB2   LEU  104  14.95 +/- 1.96   0.013% *  0.0739% (0.63  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   LEU  104  16.36 +/- 0.94   0.007% *  0.0939% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.38, residual support = 38.8:
          HN    ASP- 105 - HB2   LEU  104   2.57 +/- 0.57  99.998% * 99.8757% (0.82   6.38  38.80) = 100.000%  kept
          HN    ALA   88 - HB2   LEU  104  17.75 +/- 1.93   0.002% *  0.1243% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3135 (9.36, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.357, support = 7.39, residual support = 217.8:
      O   HN    LEU  104 - HB2   LEU  104   2.56 +/- 0.36  99.994% * 99.7579% (0.36  10.0   7.39 217.85) = 100.000%  kept
          HN    PHE   72 - HB2   LEU  104  13.50 +/- 0.59   0.006% *  0.2421% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.87, residual support = 217.8:
      O   HN    LEU  104 - HB3   LEU  104   3.56 +/- 0.38  99.978% * 99.9343% (0.71  10.0   6.87 217.85) = 100.000%  kept
          HN    PHE   72 - HB3   LEU  104  14.72 +/- 0.76   0.022% *  0.0657% (0.46   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 7.43, residual support = 217.8:
          HN    LEU  104 - HG    LEU  104   3.29 +/- 0.36  99.977% * 99.8235% (0.92   7.43 217.85) = 100.000%  kept
          HN    PHE   72 - HG    LEU  104  13.84 +/- 0.96   0.023% *  0.1765% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.978, support = 1.5, residual support = 16.6:
          HN    LYS+  99 - HG    LEU  104   3.30 +/- 1.05  88.638% * 96.3289% (0.98   1.50  16.68) =  99.827%  kept
          HE1   HIS  122 - HG    LEU  104   9.85 +/- 6.15  11.339% *  1.3074% (1.00   0.02   0.02) =   0.173%
          HN    GLN   30 - HG    LEU  104  16.66 +/- 1.58   0.011% *  0.5875% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG    LEU  104  18.65 +/- 1.87   0.010% *  0.4918% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HG    LEU  104  23.87 +/- 2.59   0.002% *  1.2844% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 2 structures by 0.20 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.378, support = 6.64, residual support = 202.4:
          HN    LEU  104 - QD1   LEU  104   4.17 +/- 0.44  71.849% * 77.5395% (0.40   6.87 217.85) =  91.280%  kept
          HN    PHE   72 - QD1   LEU   73   5.18 +/- 0.56  24.476% * 21.7283% (0.18   4.31  40.99) =   8.714%  kept
          HN    PHE   72 - QD1   LEU   63   8.28 +/- 1.37   2.741% *  0.1009% (0.18   0.02  17.92) =   0.005%
          HN    PHE   72 - QD1   LEU  104  11.97 +/- 1.08   0.172% *  0.5481% (0.96   0.02   0.02) =   0.002%
          HN    LEU  104 - QD1   LEU   63  10.87 +/- 1.70   0.411% *  0.0416% (0.07   0.02   0.02) =   0.000%
          HN    LEU  104 - QD1   LEU   73  10.44 +/- 1.04   0.350% *  0.0416% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.397, support = 2.96, residual support = 16.7:
        T HB2   LYS+  99 - QD1   LEU  104   2.12 +/- 0.30  98.691% * 97.1108% (0.40 10.00   2.96  16.68) = 100.000%  kept
          HB    VAL   43 - QD1   LEU   73   5.27 +/- 0.89   1.241% *  0.0229% (0.09  1.00   0.02   8.35) =   0.000%
        T HB    VAL   43 - QD1   LEU  104  10.69 +/- 0.96   0.011% *  1.2428% (0.51 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   73  10.70 +/- 0.88   0.010% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   63  12.35 +/- 1.73   0.006% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QD1   LEU   63   9.46 +/- 1.98   0.033% *  0.0229% (0.09  1.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - QD1   LEU  104  16.50 +/- 1.27   0.001% *  1.0590% (0.43 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  12.29 +/- 0.73   0.004% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  13.88 +/- 0.61   0.002% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  14.90 +/- 2.00   0.001% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU  104  20.83 +/- 1.17   0.000% *  0.1059% (0.43  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  18.06 +/- 1.59   0.000% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 0.887, support = 2.02, residual support = 17.0:
          HB2   LYS+  99 - QD2   LEU  104   2.86 +/- 0.56  86.886% * 80.8868% (0.90  1.00   2.00  16.68) =  98.901%  kept
          HB3   GLN   17 - QG2   VAL   18   4.93 +/- 0.75  10.759% *  7.1940% (0.04  1.00   4.16  50.10) =   1.089%  kept
        T HB    VAL   43 - QD2   LEU  104  10.68 +/- 0.92   0.033% *  8.7041% (0.97 10.00   0.02   0.02) =   0.004%
        T HB    VAL   43 - QG1   VAL   41   7.21 +/- 0.71   0.367% *  0.4675% (0.05 10.00   0.02   1.58) =   0.002%
        T HB    VAL   43 - QG2   VAL   18   9.61 +/- 1.03   0.094% *  1.3375% (0.15 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  99 - QG1   VAL   41   5.91 +/- 0.96   1.844% *  0.0434% (0.05  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   VAL   18  15.05 +/- 1.17   0.005% *  0.1279% (0.14  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU  104  20.37 +/- 1.49   0.001% *  0.8326% (0.92  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG2   VAL   18  16.16 +/- 1.03   0.003% *  0.1243% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  19.74 +/- 1.20   0.001% *  0.2249% (0.25  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   41  17.00 +/- 0.87   0.002% *  0.0447% (0.05  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  14.70 +/- 1.18   0.006% *  0.0121% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.723, support = 3.31, residual support = 42.3:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  99.838% * 98.4679% (0.72  10.0 10.00   3.31  42.29) = 100.000%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.20 +/- 0.28   0.153% *  0.1263% (0.93   1.0  1.00   0.02  21.45) =   0.000%
          HB    ILE  103 - HB2   ASP- 105   8.77 +/- 0.62   0.007% *  0.0885% (0.65   1.0  1.00   0.02   2.59) =   0.000%
        T HB2   MET   92 - HB2   ASP- 105  16.32 +/- 1.45   0.000% *  0.4836% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  15.36 +/- 3.22   0.001% *  0.0834% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP- 105  14.13 +/- 1.36   0.000% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  17.09 +/- 1.12   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  17.94 +/- 1.06   0.000% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  17.82 +/- 1.06   0.000% *  0.0678% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  20.34 +/- 1.20   0.000% *  0.1189% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  21.59 +/- 1.36   0.000% *  0.1243% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  21.10 +/- 0.81   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  18.11 +/- 1.45   0.000% *  0.0287% (0.21   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 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.64, residual support = 4.51:
        T QG2   THR  118 - HB2   ASP- 105   4.43 +/- 2.58 100.000% *100.0000% (0.54 10.00   1.64   4.51) = 100.000%  kept
    Distance limit 3.24 A violated in 8 structures by 1.49 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.64, residual support = 4.51:
        T QG2   THR  118 - HB3   ASP- 105   4.88 +/- 2.64 100.000% *100.0000% (0.57 10.00   1.64   4.51) = 100.000%  kept
    Distance limit 3.45 A violated in 8 structures by 1.63 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.885, support = 4.45, residual support = 50.2:
          HB2   PHE   97 - HB2   ASP- 105   3.86 +/- 0.95  74.105% * 54.3783% (0.89   4.58  58.42) =  77.859%  kept
          QE    LYS+ 106 - HB2   ASP- 105   5.42 +/- 1.32  25.383% * 45.1449% (0.85   4.01  21.45) =  22.141%  kept
          QE    LYS+  99 - HB2   ASP- 105   9.16 +/- 1.25   0.412% *  0.0626% (0.24   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   ASP- 105  12.55 +/- 1.47   0.093% *  0.1824% (0.69   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   ASP- 105  17.67 +/- 1.12   0.007% *  0.2318% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.823, support = 3.64, residual support = 54.8:
        T HB2   PHE   97 - HB3   ASP- 105   3.38 +/- 1.13  80.761% * 67.7091% (0.87 10.00   3.64  58.42) =  90.174%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   5.87 +/- 1.53  18.566% * 32.0903% (0.41 10.00   3.61  21.45) =   9.825%  kept
          QE    LYS+  99 - HB3   ASP- 105   8.38 +/- 1.25   0.545% *  0.0567% (0.73  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HB3   ASP- 105  11.54 +/- 1.04   0.078% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   ASP- 105  12.94 +/- 1.70   0.039% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   ASP- 105  17.59 +/- 1.24   0.005% *  0.0700% (0.90  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   ASP- 105  16.78 +/- 1.26   0.006% *  0.0350% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.21, residual support = 42.3:
      O T HA    ASP- 105 - HB3   ASP- 105   2.83 +/- 0.22  99.999% * 99.8608% (0.87  10.0 10.00   3.21  42.29) = 100.000%  kept
          HA    LEU   80 - HB3   ASP- 105  21.99 +/- 1.62   0.001% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP- 105  23.62 +/- 1.58   0.000% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB3   ASP- 105  21.48 +/- 1.58   0.001% *  0.0178% (0.15   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 3150 (7.80, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.64, residual support = 42.3:
      O   HN    ASP- 105 - HB3   ASP- 105   2.91 +/- 0.47  99.996% * 99.9603% (0.95  10.0   4.64  42.29) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  17.81 +/- 1.60   0.004% *  0.0397% (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 3151 (8.99, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 3.85, residual support = 21.4:
          HN    LYS+ 106 - HB3   ASP- 105   3.67 +/- 0.60  99.422% * 99.5440% (0.18   3.85  21.45) =  99.997%  kept
          HN    VAL   41 - HB3   ASP- 105   9.55 +/- 1.14   0.578% *  0.4560% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.83 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.47, residual support = 58.4:
          QD    PHE   97 - HB2   ASP- 105   3.44 +/- 0.56  99.930% * 99.3239% (0.87   3.47  58.42) = 100.000%  kept
          HZ3   TRP   87 - HB2   ASP- 105  12.70 +/- 1.84   0.068% *  0.5380% (0.82   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB2   ASP- 105  24.21 +/- 1.85   0.001% *  0.1381% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.7, residual support = 42.3:
      O   HN    ASP- 105 - HB2   ASP- 105   3.37 +/- 0.36  99.993% * 99.9603% (0.89  10.0   4.70  42.29) = 100.000%  kept
          HN    ALA   88 - HB2   ASP- 105  17.48 +/- 1.55   0.007% *  0.0397% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 3.78, residual support = 21.4:
          HN    LYS+ 106 - HB2   ASP- 105   2.95 +/- 0.37  99.892% * 99.5365% (0.17   3.78  21.45) =  99.999%  kept
          HN    VAL   41 - HB2   ASP- 105  10.22 +/- 0.98   0.108% *  0.4635% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 0.987, residual support = 1.97:
        T HA    MET   96 - HA    LYS+ 106   3.46 +/- 1.17  99.692% * 99.9124% (0.87 10.00   0.99   1.97) = 100.000%  kept
          HA    PHE   72 - HA    LYS+ 106  11.84 +/- 0.56   0.308% *  0.0876% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 2 structures by 0.45 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.37, residual support = 8.72:
          QD    PHE   97 - HA    LYS+ 106   3.83 +/- 1.04  99.465% * 99.5052% (0.45   3.37   8.72) =  99.997%  kept
          HZ3   TRP   87 - HA    LYS+ 106  10.67 +/- 1.36   0.535% *  0.4948% (0.38   0.02   0.02) =   0.003%
    Distance limit 3.80 A violated in 5 structures by 0.45 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 2.54, residual support = 8.72:
          HN    PHE   97 - HA    LYS+ 106   3.79 +/- 1.09  98.667% * 98.9798% (0.90   2.54   8.72) =  99.991%  kept
          HN    LEU  115 - HA    LYS+ 106   9.41 +/- 0.62   0.967% *  0.7787% (0.90   0.02   0.02) =   0.008%
          HN    ASP- 113 - HA    LYS+ 106  12.97 +/- 0.80   0.365% *  0.2414% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 4 structures by 0.42 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.18, residual support = 135.6:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.87 +/- 0.03 100.000% *100.0000% (0.61  10.0   5.18 135.59) = 100.000%  kept
    Distance limit 3.50 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 = 25.7:
      O   HN    VAL  107 - HA    LYS+ 106   2.23 +/- 0.06 100.000% * 99.8992% (0.99  10.0   4.58  25.65) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  18.83 +/- 1.58   0.000% *  0.1008% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3160 (8.99, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 5.36, residual support = 135.6:
      O   HN    LYS+ 106 - QB    LYS+ 106   3.24 +/- 0.25  99.899% * 99.9120% (0.18  10.0   5.36 135.59) = 100.000%  kept
          HN    VAL   41 - QB    LYS+ 106  10.60 +/- 0.69   0.101% *  0.0880% (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 3161 (9.57, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 5.1, residual support = 25.7:
          HN    VAL  107 - QB    LYS+ 106   3.15 +/- 0.16  99.993% * 99.6061% (0.99   5.10  25.65) = 100.000%  kept
          HN    GLY   51 - QB    LYS+ 106  16.87 +/- 1.71   0.007% *  0.3939% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 5.91, residual support = 135.6:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.41 +/- 0.07  99.794% * 94.0497% (0.61  10.0 10.00   5.91 135.59) =  99.999%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.91 +/- 0.95   0.097% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - QB    LYS+ 106  11.24 +/- 1.11   0.013% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+ 106  10.27 +/- 0.79   0.019% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+ 106  10.24 +/- 2.97   0.040% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 106  18.43 +/- 1.81   0.001% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 106  18.52 +/- 1.04   0.001% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 106  12.77 +/- 1.34   0.006% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106  10.06 +/- 0.74   0.022% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+ 106  13.35 +/- 0.69   0.004% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  15.16 +/- 0.93   0.002% *  0.0695% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  14.40 +/- 1.53   0.003% *  0.0431% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  22.15 +/- 2.20   0.000% *  0.1467% (0.95   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 3163 (1.03, 1.87, 37.27 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.69, residual support = 5.4:
          QG2   VAL  108 - QB    LYS+ 106   2.99 +/- 0.21  99.298% * 98.4725% (1.00   2.70   5.40) =  99.995%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.27 +/- 0.36   0.542% *  0.7179% (0.98   0.02   0.02) =   0.004%
          QD1   ILE  119 - QB    LYS+ 106   9.42 +/- 1.24   0.138% *  0.5597% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QB    LYS+ 106  13.16 +/- 1.30   0.023% *  0.2498% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.643, support = 3.63, residual support = 19.2:
          QG2   VAL  107 - QB    LYS+ 106   5.26 +/- 0.28  12.118% * 93.4390% (0.76   4.64  25.65) =  74.213%  kept
          QG2   THR   94 - QB    LYS+ 106   3.72 +/- 1.07  69.935% *  5.4915% (0.28   0.75   0.72) =  25.172%  kept
          HG13  ILE  103 - QB    LYS+ 106   5.12 +/- 1.31  17.767% *  0.5255% (1.00   0.02   0.02) =   0.612%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  11.28 +/- 2.62   0.129% *  0.2771% (0.53   0.02   0.02) =   0.002%
          HB3   LYS+ 112 - QB    LYS+ 106  13.53 +/- 0.75   0.037% *  0.1626% (0.31   0.02   0.02) =   0.000%
          QB    ALA   20 - QB    LYS+ 106  15.13 +/- 1.23   0.015% *  0.1042% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 1 structures by 0.13 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.133, support = 5.44, residual support = 107.4:
          HN    LYS+  81 - QG    LYS+  81   2.19 +/- 0.20  99.775% * 83.5010% (0.13   5.44 107.43) =  99.998%  kept
          QE    PHE   95 - HG2   LYS+ 106   9.49 +/- 2.19   0.173% *  0.7919% (0.34   0.02   0.02) =   0.002%
          HE3   TRP   27 - HG2   LYS+  33  11.28 +/- 2.38   0.018% *  2.2607% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - QG    LYS+  81   9.67 +/- 0.70   0.016% *  0.5810% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  11.24 +/- 1.67   0.008% *  1.0824% (0.47   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+  33  13.90 +/- 1.05   0.002% *  1.2135% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  14.99 +/- 1.41   0.001% *  1.3711% (0.59   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.18 +/- 1.69   0.001% *  1.3232% (0.57   0.02   0.02) =   0.000%
          QE    PHE   95 - HG2   LYS+  33  17.20 +/- 2.94   0.001% *  1.3058% (0.57   0.02   0.02) =   0.000%
          QE    PHE   95 - QG    LYS+  81  15.55 +/- 1.37   0.001% *  0.6252% (0.27   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+  33  16.31 +/- 2.36   0.001% *  0.4564% (0.20   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  18.31 +/- 1.74   0.000% *  1.0446% (0.45   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+ 106  18.33 +/- 2.51   0.001% *  0.2768% (0.12   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+ 106  20.48 +/- 1.27   0.000% *  0.7359% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  20.95 +/- 1.16   0.000% *  0.6413% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  19.93 +/- 1.65   0.000% *  0.3889% (0.17   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  26.37 +/- 1.60   0.000% *  2.1818% (0.95   0.02   0.02) =   0.000%
          HN    LEU   67 - QG    LYS+  81  24.16 +/- 0.59   0.000% *  0.2185% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.758, residual support = 1.52:
          HN    GLU-  79 - QG    LYS+  81   3.84 +/- 0.26  99.247% * 81.4662% (0.27   0.76   1.52) =  99.980%  kept
          HN    VAL   70 - HG2   LYS+  33  12.20 +/- 2.57   0.296% *  3.8599% (0.49   0.02   0.02) =   0.014%
          HN    THR   94 - HG2   LYS+ 106  10.47 +/- 0.96   0.321% *  0.9518% (0.12   0.02   0.72) =   0.004%
          HN    THR   94 - QG    LYS+  81  12.41 +/- 1.20   0.100% *  0.7514% (0.09   0.02   0.02) =   0.001%
          HN    VAL   70 - HG2   LYS+ 106  17.42 +/- 1.76   0.018% *  2.3410% (0.30   0.02   0.02) =   0.001%
          HN    GLU-  79 - HG2   LYS+  33  20.64 +/- 0.96   0.005% *  4.4896% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+ 106  19.73 +/- 1.44   0.006% *  2.7228% (0.34   0.02   0.02) =   0.000%
          HN    THR   94 - HG2   LYS+  33  20.90 +/- 1.68   0.005% *  1.5693% (0.20   0.02   0.02) =   0.000%
          HN    VAL   70 - QG    LYS+  81  23.86 +/- 0.47   0.002% *  1.8481% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.66, residual support = 135.6:
      O   HA    LYS+ 106 - HG3   LYS+ 106   3.24 +/- 0.32  99.963% * 99.8764% (0.18  10.0   5.66 135.59) = 100.000%  kept
          HA    LYS+ 106 - HG3   LYS+ 102  13.09 +/- 1.14   0.031% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  65  18.75 +/- 1.73   0.004% *  0.0419% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  19.88 +/- 1.06   0.002% *  0.0635% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 45.2:
        T HB2   PHE   95 - HB    VAL  107   2.87 +/- 0.75 100.000% *100.0000% (0.69 10.00   4.30  45.23) = 100.000%  kept
    Distance limit 3.17 A violated in 1 structures by 0.15 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.16, residual support = 58.0:
      O T QG2   VAL  107 - HB    VAL  107   2.13 +/- 0.01  99.855% * 99.7352% (0.72  10.0 10.00   3.16  58.03) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   7.27 +/- 1.72   0.126% *  0.0199% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    VAL  107  10.99 +/- 2.46   0.009% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB    VAL  107  10.32 +/- 0.95   0.009% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  16.02 +/- 1.47   0.001% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  19.04 +/- 1.32   0.000% *  0.0176% (0.13   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 3171 (1.10, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.62, residual support = 58.0:
      O T QG1   VAL  107 - HB    VAL  107   2.13 +/- 0.02  99.860% * 99.5954% (0.71  10.0 10.00   3.62  58.03) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   7.27 +/- 1.72   0.127% *  0.0226% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL  107  10.58 +/- 1.61   0.012% *  0.0849% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - HB    VAL  107  16.94 +/- 1.37   0.000% *  0.1779% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    VAL  107  16.87 +/- 1.42   0.000% *  0.0938% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  19.04 +/- 1.32   0.000% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3172 (0.59, 2.40, 36.05 ppm):
    7 chemical-shift based assignments, quality = 0.663, support = 0.733, residual support = 8.06:
          QD2   LEU  115 - HB    VAL  107   4.87 +/- 1.88  68.182% * 76.2029% (0.67   0.75   8.32) =  96.863%  kept
          QD2   LEU   63 - HB    VAL  107   7.91 +/- 1.70   7.526% * 15.4464% (0.33   0.31   0.02) =   2.167%  kept
          QD1   LEU   63 - HB    VAL  107   6.55 +/- 1.49  23.545% *  2.1577% (0.71   0.02   0.02) =   0.947%  kept
          QD1   LEU  104 - HB    VAL  107  10.81 +/- 0.76   0.438% *  1.5121% (0.50   0.02   0.02) =   0.012%
          QD1   LEU   73 - HB    VAL  107  12.72 +/- 1.00   0.156% *  2.1577% (0.71   0.02   0.02) =   0.006%
          QD2   LEU   80 - HB    VAL  107  14.64 +/- 1.33   0.078% *  1.9742% (0.65   0.02   0.02) =   0.003%
          QG1   VAL   83 - HB    VAL  107  14.69 +/- 1.45   0.076% *  0.5489% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 1 structures by 0.43 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.84, residual support = 45.2:
          QD    PHE   95 - HB    VAL  107   3.06 +/- 0.81  99.977% * 99.8332% (0.63   3.84  45.23) = 100.000%  kept
          HN    ALA   47 - HB    VAL  107  13.69 +/- 1.25   0.023% *  0.1668% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.325, support = 0.02, residual support = 2.35:
          QD    PHE   97 - HB    VAL  107   5.74 +/- 0.96  99.307% * 54.4328% (0.33   0.02   2.36) =  99.419%  kept
          HZ3   TRP   87 - HB    VAL  107  14.06 +/- 1.20   0.693% * 45.5672% (0.27   0.02   0.02) =   0.581%  kept
    Distance limit 3.73 A violated in 17 structures by 2.00 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 = 58.0:
      O   HN    VAL  107 - HB    VAL  107   2.39 +/- 0.21  99.999% * 99.8992% (0.72  10.0   3.33  58.03) = 100.000%  kept
          HN    GLY   51 - HB    VAL  107  16.33 +/- 1.50   0.001% *  0.1008% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 45.2:
          HN    PHE   95 - HB    VAL  107   3.85 +/- 1.12 100.000% *100.0000% (0.47   3.24  45.23) = 100.000%  kept
    Distance limit 4.10 A violated in 1 structures by 0.23 A, kept.
 
    Peak 3177 (1.15, 1.09, 22.46 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 4.03, residual support = 58.0:
      O   QG2   VAL  107 - QG1   VAL  107   2.08 +/- 0.05  98.827% * 99.3136% (0.99  10.0  1.00   4.03  58.03) =  99.998%  kept
        T HG13  ILE  119 - QG1   VAL  107   5.54 +/- 1.43   1.057% *  0.1983% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - QG1   VAL  107   8.26 +/- 2.45   0.056% *  0.0967% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG1   VAL  107   9.50 +/- 0.87   0.012% *  0.0648% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   24   9.17 +/- 0.57   0.015% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   VAL   24   8.42 +/- 0.75   0.026% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG1   VAL  107  14.15 +/- 1.26   0.001% *  0.0648% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG1   VAL  107  16.86 +/- 1.25   0.000% *  0.1755% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG2   VAL   24  12.21 +/- 1.29   0.003% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   24  15.02 +/- 1.09   0.001% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   24  22.68 +/- 2.37   0.000% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   24  19.32 +/- 2.01   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 = 58.0:
      O T HB    VAL  107 - QG1   VAL  107   2.13 +/- 0.02  99.445% * 99.1597% (0.65  10.0 10.00   3.62  58.03) = 100.000%  kept
          QE    LYS+ 112 - QG1   VAL  107   7.17 +/- 1.38   0.198% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG2   VAL   24   6.60 +/- 0.80   0.156% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG1   VAL  107   6.42 +/- 0.86   0.167% *  0.0268% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG1   VAL  107  10.13 +/- 1.20   0.013% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL   24   9.92 +/- 0.85   0.012% *  0.0363% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL  107 - QG2   VAL   24  16.94 +/- 1.37   0.000% *  0.2357% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL   24  10.63 +/- 0.87   0.007% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG1   VAL  107  17.24 +/- 1.33   0.000% *  0.1280% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  19.57 +/- 0.80   0.000% *  0.1529% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 112 - QG2   VAL   24  19.54 +/- 2.20   0.000% *  0.0908% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  16.49 +/- 0.79   0.000% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL   24  15.97 +/- 1.82   0.001% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL   24  23.41 +/- 1.24   0.000% *  0.0064% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3179 (2.39, 1.15, 21.16 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.16, residual support = 58.0:
      O T HB    VAL  107 - QG2   VAL  107   2.13 +/- 0.01  99.476% * 99.2330% (0.65  10.0 10.00   3.16  58.03) =  99.998%  kept
        T QE    LYS+ 112 - QG2   VAL  107   6.44 +/- 1.23   0.382% *  0.3825% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QG2   VAL  107   6.66 +/- 0.63   0.122% *  0.0269% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL  107   9.23 +/- 1.16   0.020% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG2   VAL  107  16.74 +/- 1.04   0.000% *  0.1281% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL  107  20.15 +/- 0.86   0.000% *  0.1531% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  17.66 +/- 0.79   0.000% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3180 (2.01, 1.15, 21.16 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 1.74, residual support = 5.37:
        T QB    GLU- 114 - QG2   VAL  107   3.18 +/- 0.76  85.237% * 98.5355% (0.65 10.00   1.74   5.37) =  99.967%  kept
          HB2   LYS+ 111 - QG2   VAL  107   5.42 +/- 1.77  13.164% *  0.1738% (0.99  1.00   0.02   0.02) =   0.027%
        T HB    ILE  119 - QG2   VAL  107   7.01 +/- 1.39   1.515% *  0.3071% (0.18 10.00   0.02   0.02) =   0.006%
          HB2   GLN   17 - QG2   VAL  107  15.92 +/- 1.29   0.011% *  0.1754% (1.00  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   VAL  107  15.20 +/- 2.56   0.021% *  0.0854% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  107  15.90 +/- 2.18   0.012% *  0.1404% (0.80  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   VAL  107  16.96 +/- 1.08   0.007% *  0.1754% (1.00  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG2   VAL  107  16.02 +/- 0.99   0.009% *  0.0993% (0.57  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  107  16.83 +/- 1.12   0.009% *  0.0721% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   VAL  107  21.14 +/- 1.21   0.002% *  0.1659% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  107  16.62 +/- 0.88   0.009% *  0.0307% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  107  18.45 +/- 0.69   0.004% *  0.0390% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 4 structures by 0.45 A, kept.
 
    Peak 3181 (0.59, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.77, support = 1.52, residual support = 5.25:
          QD2   LEU  115 - QG1   VAL  107   3.55 +/- 1.32  19.661% * 27.5186% (0.92  1.00   2.30   8.32) =  51.031%  kept
        T QD1   LEU   63 - QG1   VAL  107   5.52 +/- 1.27   5.259% * 56.1458% (0.98 10.00   0.44   0.02) =  27.851%  kept
        T QG1   VAL   83 - QG2   VAL   24   2.68 +/- 1.02  57.710% *  2.2050% (0.06 10.00   0.29   0.68) =  12.002%  kept
          QD2   LEU   80 - QG2   VAL   24   3.32 +/- 0.42  16.466% *  5.8181% (0.21  1.00   2.11  10.18) =   9.036%  kept
        T QD2   LEU   63 - QG1   VAL  107   6.60 +/- 1.41   0.468% *  1.1602% (0.45 10.00   0.02   0.02) =   0.051%
        T QD1   LEU   73 - QG2   VAL   24   6.90 +/- 1.10   0.379% *  0.6028% (0.23 10.00   0.02   0.02) =   0.022%
        T QD1   LEU  104 - QG1   VAL  107   9.20 +/- 1.04   0.031% *  1.7776% (0.69 10.00   0.02   0.02) =   0.005%
        T QD1   LEU   73 - QG1   VAL  107  11.46 +/- 0.93   0.009% *  2.5366% (0.98 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   83 - QG1   VAL  107  13.25 +/- 1.74   0.007% *  0.6453% (0.25 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG2   VAL   24  14.65 +/- 1.89   0.002% *  0.6028% (0.23 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL  107  13.19 +/- 1.43   0.005% *  0.2321% (0.90  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   24  14.37 +/- 1.20   0.002% *  0.4225% (0.16 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   63 - QG2   VAL   24  15.34 +/- 1.99   0.001% *  0.2757% (0.11 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   24  16.55 +/- 1.70   0.001% *  0.0568% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3182 (0.46, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 1.32, residual support = 8.32:
          QD1   LEU  115 - QG2   VAL  107   3.71 +/- 1.22  98.254% * 97.7589% (0.38   1.32   8.32) =  99.959%  kept
          QG1   VAL   75 - QG2   VAL  107  10.10 +/- 1.05   1.746% *  2.2411% (0.57   0.02   0.02) =   0.041%
    Distance limit 3.58 A violated in 4 structures by 0.53 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   9.70 +/- 0.97  90.834% * 58.0948% (0.90   0.02   0.02) =  93.215%  kept
          QG2   ILE   19 - QG2   VAL  107  14.60 +/- 0.83   9.166% * 41.9052% (0.65   0.02   0.02) =   6.785%  kept
    Distance limit 3.26 A violated in 20 structures by 6.28 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 21.16 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.59, residual support = 58.0:
      O T HA    VAL  107 - QG2   VAL  107   2.66 +/- 0.30  97.937% * 99.4123% (0.45  10.0 10.00   3.59  58.03) =  99.998%  kept
          HA    LYS+ 111 - QG2   VAL  107   5.49 +/- 0.96   1.981% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          HA    PRO   52 - QG2   VAL  107   9.94 +/- 0.89   0.053% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG2   VAL  107  11.59 +/- 1.35   0.026% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   VAL  107  16.16 +/- 0.84   0.003% *  0.1852% (0.84   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 3185 (2.07, 1.09, 22.46 ppm):
    20 chemical-shift based assignments, quality = 0.332, support = 0.0199, residual support = 1.19:
        T HB    ILE  119 - QG1   VAL  107   5.90 +/- 1.68  47.797% * 28.3613% (0.25 10.00   0.02   0.02) =  79.926%  kept
          HB2   PRO   93 - QG1   VAL  107   8.75 +/- 2.68  18.583% *  9.5003% (0.84  1.00   0.02   0.02) =  10.409%  kept
          HB    VAL  108 - QG1   VAL  107   5.75 +/- 0.43  25.456% *  5.0993% (0.45  1.00   0.02  15.34) =   7.654%  kept
          HG2   PRO   58 - QG1   VAL  107   9.85 +/- 1.56   2.024% *  7.3579% (0.65  1.00   0.02   0.02) =   0.878%  kept
          HG3   PRO   52 - QG1   VAL  107  11.84 +/- 2.01   2.015% *  7.3579% (0.65  1.00   0.02   0.02) =   0.874%  kept
          HB2   GLN   30 - QG2   VAL   24   8.29 +/- 0.74   3.491% *  0.6740% (0.06  1.00   0.02   0.02) =   0.139%
          HB2   ARG+  54 - QG1   VAL  107  13.02 +/- 1.11   0.188% *  5.9841% (0.53  1.00   0.02   0.02) =   0.066%
          HB2   PRO   93 - QG2   VAL   24  14.63 +/- 1.23   0.119% *  2.2578% (0.20  1.00   0.02   0.02) =   0.016%
          HB2   GLN   30 - QG1   VAL  107  16.15 +/- 1.09   0.048% *  2.8361% (0.25  1.00   0.02   0.02) =   0.008%
          HB2   GLU-  14 - QG1   VAL  107  20.66 +/- 1.56   0.015% *  8.2592% (0.73  1.00   0.02   0.02) =   0.007%
          HB3   GLU- 100 - QG1   VAL  107  17.32 +/- 0.93   0.038% *  2.2509% (0.20  1.00   0.02   0.02) =   0.005%
          HB2   GLU-  14 - QG2   VAL   24  18.03 +/- 1.53   0.032% *  1.9628% (0.17  1.00   0.02   0.02) =   0.004%
          HB    VAL  108 - QG2   VAL   24  17.09 +/- 1.73   0.042% *  1.2119% (0.11  1.00   0.02   0.02) =   0.003%
          HB3   GLU- 100 - QG2   VAL   24  15.69 +/- 1.76   0.080% *  0.5349% (0.05  1.00   0.02   0.02) =   0.003%
          HG3   PRO   52 - QG2   VAL   24  18.51 +/- 1.66   0.024% *  1.7486% (0.15  1.00   0.02   0.02) =   0.002%
          HG2   MET   11 - QG1   VAL  107  26.60 +/- 2.99   0.004% *  8.6923% (0.76  1.00   0.02   0.02) =   0.002%
          HG2   MET   11 - QG2   VAL   24  22.66 +/- 3.16   0.013% *  2.0658% (0.18  1.00   0.02   0.02) =   0.002%
          HG2   PRO   58 - QG2   VAL   24  21.57 +/- 0.72   0.009% *  1.7486% (0.15  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - QG2   VAL   24  20.89 +/- 1.00   0.011% *  1.4221% (0.13  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - QG2   VAL   24  21.29 +/- 1.82   0.012% *  0.6740% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 15 structures by 1.21 A, eliminated.
    Peak unassigned.
 
    Peak 3186 (4.14, 1.09, 22.46 ppm):
    16 chemical-shift based assignments, quality = 0.875, support = 1.15, residual support = 8.37:
          HA    LEU  115 - QG1   VAL  107   2.41 +/- 1.24  88.004% * 38.5030% (0.90   1.12   8.32) =  93.104%  kept
          HA    GLU- 114 - QG1   VAL  107   4.66 +/- 1.11   3.150% * 41.9428% (0.92   1.19   5.37) =   3.631%  kept
          HA    ASN   28 - QG2   VAL   24   4.81 +/- 0.53   7.628% * 15.5616% (0.21   1.97  13.06) =   3.262%  kept
          HA    THR   26 - QG2   VAL   24   6.37 +/- 0.26   1.065% *  0.1102% (0.14   0.02   2.64) =   0.003%
          HA    ARG+  54 - QG1   VAL  107  11.77 +/- 0.87   0.049% *  0.2608% (0.34   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   VAL   24  12.66 +/- 2.90   0.068% *  0.1801% (0.24   0.02   0.02) =   0.000%
          HA    ALA   34 - QG2   VAL   24  13.06 +/- 0.71   0.018% *  0.1781% (0.23   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG1   VAL  107  15.55 +/- 0.94   0.004% *  0.7579% (0.99   0.02   0.02) =   0.000%
          HA    ALA   34 - QG1   VAL  107  16.85 +/- 0.65   0.003% *  0.7495% (0.98   0.02   0.02) =   0.000%
          HA    ASN   28 - QG1   VAL  107  17.68 +/- 1.04   0.003% *  0.6633% (0.87   0.02   0.02) =   0.000%
          HA    THR   26 - QG1   VAL  107  19.75 +/- 1.21   0.002% *  0.4638% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - QG1   VAL  107  14.04 +/- 1.78   0.003% *  0.1907% (0.25   0.02   0.02) =   0.000%
          HA    LEU  115 - QG2   VAL   24  19.46 +/- 1.27   0.001% *  0.1630% (0.21   0.02   0.02) =   0.000%
          HA    GLU- 114 - QG2   VAL   24  22.38 +/- 1.28   0.001% *  0.1678% (0.22   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG2   VAL   24  19.37 +/- 0.75   0.001% *  0.0620% (0.08   0.02   0.02) =   0.000%
          HA    ALA  124 - QG2   VAL   24  25.91 +/- 3.29   0.000% *  0.0453% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 1 structures by 0.11 A, kept.
 
    Peak 3187 (4.50, 1.09, 22.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 4.31, residual support = 58.0:
      O T HA    VAL  107 - QG1   VAL  107   2.37 +/- 0.37  98.599% * 99.0400% (0.45  10.0 10.00   4.31  58.03) =  99.999%  kept
          HA    LYS+ 111 - QG1   VAL  107   6.81 +/- 1.19   0.495% *  0.0754% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   VAL   24   5.61 +/- 0.47   0.847% *  0.0439% (0.20   1.0  1.00   0.02  25.02) =   0.000%
          HA    PRO   52 - QG1   VAL  107  11.33 +/- 1.58   0.038% *  0.1916% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG1   VAL  107  12.70 +/- 1.10   0.011% *  0.1340% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG1   VAL  107  15.95 +/- 1.12   0.002% *  0.1845% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL  107 - QG2   VAL   24  17.89 +/- 1.26   0.001% *  0.2354% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG2   VAL   24  13.86 +/- 1.39   0.005% *  0.0318% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   VAL   24  20.22 +/- 1.14   0.000% *  0.0455% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QG2   VAL   24  22.16 +/- 1.81   0.000% *  0.0179% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3188 (7.17, 1.09, 22.46 ppm):
    8 chemical-shift based assignments, quality = 0.222, support = 2.28, residual support = 18.2:
          HD1   TRP   27 - QG2   VAL   24   4.15 +/- 1.54  59.613% * 56.9313% (0.12   3.02  25.02) =  71.437%  kept
          QD    PHE   59 - QG1   VAL  107   4.54 +/- 1.35  40.074% * 33.8525% (0.49   0.43   1.18) =  28.555%  kept
          HH2   TRP   49 - QG1   VAL  107  13.96 +/- 1.98   0.047% *  3.1422% (0.97   0.02   0.02) =   0.003%
          HE21  GLN   30 - QG2   VAL   24   9.78 +/- 1.43   0.225% *  0.6463% (0.20   0.02   0.02) =   0.003%
          HE21  GLN   30 - QG1   VAL  107  16.16 +/- 1.75   0.013% *  2.7196% (0.84   0.02   0.02) =   0.001%
          HD1   TRP   27 - QG1   VAL  107  15.67 +/- 1.16   0.015% *  1.5848% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   VAL   24  19.61 +/- 2.03   0.004% *  0.7468% (0.23   0.02   0.02) =   0.000%
          QD    PHE   59 - QG2   VAL   24  16.69 +/- 1.31   0.008% *  0.3766% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 2 structures by 0.26 A, kept.
 
    Peak 3189 (7.02, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.83, residual support = 45.2:
          QD    PHE   95 - QG2   VAL  107   3.16 +/- 0.91  99.387% * 99.4836% (0.95   3.83  45.23) =  99.999%  kept
          HN    ALA   47 - QG2   VAL  107  11.07 +/- 1.11   0.124% *  0.4201% (0.76   0.02   0.02) =   0.001%
          QE    PHE   72 - QG2   VAL  107   9.74 +/- 1.46   0.490% *  0.0963% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 2 structures by 0.27 A, kept.
 
    Peak 3190 (8.40, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 1.8, residual support = 8.25:
          HN    LEU  115 - QG2   VAL  107   3.28 +/- 0.67  94.844% * 82.5472% (0.90   1.81   8.32) =  99.144%  kept
          HN    ASP- 113 - QG2   VAL  107   6.10 +/- 0.69   4.027% * 16.5385% (0.28   1.17   0.02) =   0.843%  kept
          HN    PHE   97 - QG2   VAL  107   7.76 +/- 0.87   1.129% *  0.9143% (0.90   0.02   2.36) =   0.013%
    Distance limit 3.79 A violated in 1 structures by 0.06 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   3.41 +/- 0.26  99.609% * 99.3373% (0.57   3.64  15.34) =  99.997%  kept
          HN    VAL   43 - QG2   VAL  107   9.06 +/- 0.70   0.391% *  0.6627% (0.69   0.02   0.02) =   0.003%
    Distance limit 3.36 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3192 (9.57, 1.09, 22.46 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.84, residual support = 58.0:
          HN    VAL  107 - QG1   VAL  107   3.09 +/- 0.54  99.952% * 99.2323% (0.99   3.84  58.03) = 100.000%  kept
          HN    GLY   51 - QG1   VAL  107  14.03 +/- 1.63   0.037% *  0.5211% (1.00   0.02   0.02) =   0.000%
          HN    VAL  107 - QG2   VAL   24  15.79 +/- 1.17   0.008% *  0.1227% (0.24   0.02   0.02) =   0.000%
          HN    GLY   51 - QG2   VAL   24  18.70 +/- 0.95   0.003% *  0.1238% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3193 (9.18, 1.09, 22.46 ppm):
    2 chemical-shift based assignments, quality = 0.653, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG1   VAL  107   8.54 +/- 0.77  77.250% * 80.7980% (0.69   0.02   0.02) =  93.459%  kept
          HN    VAL   43 - QG2   VAL   24  10.74 +/- 1.09  22.750% * 19.2020% (0.16   0.02   0.02) =   6.541%  kept
    Distance limit 3.42 A violated in 20 structures by 4.72 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 = 6.39:
      O   HN    ALA  110 - HA2   GLY  109   2.96 +/- 0.31  99.969% * 99.9027% (0.99  10.0   2.20   6.39) = 100.000%  kept
          HN    PHE   45 - HA2   GLY  109  12.32 +/- 1.38   0.031% *  0.0973% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3195 (8.62, 3.67, 43.34 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 2.2, residual support = 9.19:
      O   HN    GLY  109 - HA2   GLY  109   2.55 +/- 0.22  99.993% * 99.5895% (0.53  10.0   2.20   9.19) = 100.000%  kept
          HN    GLN   90 - HA2   GLY  109  14.29 +/- 2.47   0.006% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA2   GLY  109  19.04 +/- 0.86   0.001% *  0.1893% (1.00   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY  109  22.58 +/- 2.12   0.000% *  0.0421% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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   2.87 +/- 0.46  99.960% * 99.8788% (0.57  10.0   4.08  62.13) = 100.000%  kept
          HN    VAL   43 - HB    VAL  108  12.02 +/- 1.01   0.040% *  0.1212% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.135, support = 3.09, residual support = 7.63:
          HN    GLY  109 - QG1   VAL  108   2.61 +/- 0.38  99.887% * 89.7983% (0.14   3.09   7.63) =  99.995%  kept
          HN    GLN   90 - QG1   VAL  108   9.88 +/- 2.53   0.099% *  3.7235% (0.87   0.02   0.02) =   0.004%
          HN    ILE  103 - QG1   VAL  108  12.93 +/- 0.91   0.010% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    SER   82 - QG1   VAL  108  16.56 +/- 2.15   0.003% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    GLY   16 - QG1   VAL  108  21.26 +/- 1.80   0.001% *  0.5809% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.55 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   3.60 +/- 0.07  99.900% * 99.4664% (0.57   4.52  62.13) =  99.999%  kept
          HN    VAL   43 - QG1   VAL  108  11.52 +/- 0.67   0.100% *  0.5336% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.05 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   2.73 +/- 0.62  99.851% * 99.4087% (0.57   4.08  62.13) =  99.999%  kept
          HN    VAL   43 - QG2   VAL  108   9.40 +/- 0.78   0.149% *  0.5913% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.22 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3200 (8.65, 1.03, 20.80 ppm):
    3 chemical-shift based assignments, quality = 0.796, support = 0.02, residual support = 0.02:
          HN    SER  117 - QG2   VAL  108   9.86 +/- 1.08  89.291% * 32.6470% (0.80   0.02   0.02) =  90.098%  kept
          HN    SER   82 - QG2   VAL  108  15.74 +/- 1.87   8.907% * 28.0060% (0.69   0.02   0.02) =   7.710%  kept
          HN    GLY   16 - QG2   VAL  108  19.59 +/- 1.64   1.802% * 39.3470% (0.97   0.02   0.02) =   2.192%  kept
    Distance limit 4.23 A violated in 20 structures by 5.42 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  16.43 +/- 1.09 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.80 A violated in 20 structures by 12.63 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 = 5.4:
          HA    LYS+ 106 - QG2   VAL  108   4.72 +/- 0.09 100.000% *100.0000% (0.28   1.42   5.40) = 100.000%  kept
    Distance limit 3.95 A violated in 0 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 = 315.5:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.36 +/- 0.17  99.326% * 98.2964% (0.69  10.0  1.00   6.56 315.47) = 100.000%  kept
          HB2   LYS+ 112 - HB3   LYS+ 111   6.21 +/- 0.79   0.622% *  0.0251% (0.18   1.0  1.00   0.02  28.12) =   0.000%
          HB3   PRO   93 - HB3   LYS+ 111  10.82 +/- 2.46   0.036% *  0.1146% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB3   LYS+ 111  13.07 +/- 2.69   0.006% *  0.3568% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+ 111  14.55 +/- 2.42   0.004% *  0.1381% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 111  14.53 +/- 2.73   0.003% *  0.1428% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 111  17.21 +/- 1.97   0.001% *  0.1195% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 111  18.05 +/- 1.45   0.001% *  0.1403% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  18.73 +/- 2.26   0.001% *  0.1321% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  23.42 +/- 2.73   0.000% *  0.1937% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  22.72 +/- 2.40   0.000% *  0.1283% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  23.31 +/- 2.86   0.000% *  0.0588% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  26.96 +/- 2.49   0.000% *  0.1094% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  29.90 +/- 2.80   0.000% *  0.0442% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3204 (1.16, 1.53, 33.52 ppm):
    6 chemical-shift based assignments, quality = 0.327, support = 3.27, residual support = 27.0:
          HB3   LYS+ 112 - HB3   LYS+ 111   6.25 +/- 1.56  25.732% * 87.5069% (0.31  1.00   3.40  28.12) =  95.984%  kept
          QG2   VAL  107 - HB3   LYS+ 111   4.58 +/- 2.09  73.616% *  1.2732% (0.76  1.00   0.02   0.02) =   3.995%  kept
          QG2   THR   94 - HB3   LYS+ 111   8.89 +/- 1.71   0.616% *  0.4632% (0.28  1.00   0.02   0.02) =   0.012%
        T HG2   LYS+ 121 - HB3   LYS+ 111  14.65 +/- 1.80   0.022% *  8.7648% (0.53 10.00   0.02   0.02) =   0.008%
          HG13  ILE  103 - HB3   LYS+ 111  16.91 +/- 2.47   0.011% *  1.6622% (1.00  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HB3   LYS+ 111  20.27 +/- 2.38   0.003% *  0.3297% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.41 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.96, residual support = 315.5:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.92 +/- 0.15  98.751% * 99.9336% (0.97  10.0   6.96 315.47) = 100.000%  kept
          HA    VAL  108 - HB3   LYS+ 111   7.29 +/- 1.95   1.174% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   LYS+ 111  11.41 +/- 1.95   0.075% *  0.0504% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 315.5:
      O   HN    LYS+ 111 - HB3   LYS+ 111   2.61 +/- 0.49  99.945% * 99.6823% (0.73  10.0   5.50 315.47) = 100.000%  kept
          HN    ILE   56 - HB3   LYS+ 111  10.53 +/- 1.50   0.049% *  0.0468% (0.34   1.0   0.02   2.08) =   0.000%
          HN    LEU   63 - HB3   LYS+ 111  15.11 +/- 2.25   0.005% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LYS+ 111  21.83 +/- 2.44   0.001% *  0.0997% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  33.95 +/- 2.47   0.000% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 315.5:
      O   HN    LYS+ 111 - HB2   LYS+ 111   3.25 +/- 0.55  98.018% * 99.5678% (1.00  10.0   7.06 315.47) = 100.000%  kept
          HN    ILE   56 - HB2   LYS+ 111  10.99 +/- 1.45   0.121% *  0.0834% (0.84   1.0   0.02   2.08) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   7.57 +/- 1.11   1.680% *  0.0031% (0.03   1.0   0.02   7.79) =   0.000%
          HE21  GLN   32 - HG3   GLN   30  10.77 +/- 1.33   0.131% *  0.0146% (0.15   1.0   0.02   1.57) =   0.000%
          HN    LEU   63 - HB2   LYS+ 111  15.47 +/- 2.18   0.021% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   GLN   30  15.13 +/- 1.11   0.015% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   GLN   30  16.63 +/- 1.85   0.010% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LYS+ 111  23.04 +/- 2.29   0.001% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  21.46 +/- 1.82   0.002% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  24.52 +/- 2.97   0.001% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  34.99 +/- 2.20   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  27.22 +/- 1.81   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3208 (7.61, 1.33, 24.92 ppm):
    7 chemical-shift based assignments, quality = 0.175, support = 6.51, residual support = 315.5:
          HN    LYS+ 111 - HG2   LYS+ 111   3.76 +/- 0.37  99.706% * 94.2722% (0.18   6.51 315.47) =  99.998%  kept
          HN    ILE   56 - HG2   LYS+ 111  11.89 +/- 1.71   0.178% *  0.8046% (0.49   0.02   2.08) =   0.002%
          HN    LEU   63 - HG2   LYS+ 111  17.11 +/- 2.65   0.043% *  1.0026% (0.61   0.02   0.02) =   0.000%
          QE    PHE   60 - HG2   LYS+ 111  15.76 +/- 2.88   0.063% *  0.5102% (0.31   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+ 111  21.86 +/- 3.06   0.005% *  1.4825% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+ 111  27.30 +/- 2.43   0.001% *  1.6384% (0.99   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+ 111  22.53 +/- 2.96   0.004% *  0.2895% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 6.55, residual support = 315.5:
          HN    LYS+ 111 - HG3   LYS+ 111   3.30 +/- 0.49  99.486% * 98.0211% (0.65   6.55 315.47) =  99.999%  kept
          HN    ILE   56 - HG3   LYS+ 111  10.93 +/- 2.21   0.199% *  0.4466% (0.97   0.02   2.08) =   0.001%
          HN    LEU   63 - HG3   LYS+ 111  16.73 +/- 2.79   0.031% *  0.4618% (1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HG2   LYS+  74  12.19 +/- 1.36   0.067% *  0.0494% (0.11   0.02   0.02) =   0.000%
          HN    ILE   56 - HG2   LYS+  74  12.76 +/- 1.43   0.046% *  0.0477% (0.10   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+  74  12.50 +/- 1.10   0.057% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+  74  12.58 +/- 1.30   0.057% *  0.0280% (0.06   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+  74  12.99 +/- 1.07   0.042% *  0.0186% (0.04   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   LYS+ 111  22.30 +/- 2.82   0.002% *  0.2994% (0.65   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG3   LYS+ 111  21.90 +/- 2.77   0.002% *  0.1737% (0.38   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG2   LYS+  74  18.28 +/- 2.70   0.007% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   LYS+ 111  27.15 +/- 2.26   0.001% *  0.2620% (0.57   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  20.52 +/- 1.21   0.002% *  0.0123% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  35.41 +/- 2.41   0.000% *  0.1154% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3210 (8.52, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 0.0856, support = 5.54, residual support = 31.1:
          HN    VAL   75 - HG2   LYS+  74   2.95 +/- 0.64  99.844% * 92.5852% (0.09   5.54  31.08) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   8.97 +/- 1.28   0.143% *  0.4139% (0.11   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  19.32 +/- 2.58   0.009% *  3.1285% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  21.29 +/- 2.88   0.003% *  3.8724% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.758, support = 0.824, residual support = 2.42:
        T HB2   LEU  115 - HA    LYS+ 112   2.78 +/- 0.71  88.848% * 68.9535% (0.76 10.00   0.75   2.23) =  97.433%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.29 +/- 0.65   7.272% * 14.5292% (0.73  1.00   1.66   0.02) =   1.680%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.22 +/- 0.28   3.570% * 15.5935% (0.18  1.00   7.40  28.12) =   0.885%  kept
          HG3   PRO   58 - HA    LYS+ 112   9.41 +/- 2.88   0.297% *  0.1927% (0.80  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    LYS+ 112  19.45 +/- 3.62   0.003% *  0.2087% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LYS+ 112  17.28 +/- 2.24   0.003% *  0.0903% (0.38  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LYS+ 112  16.28 +/- 1.52   0.004% *  0.0421% (0.18  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 112  21.39 +/- 1.38   0.001% *  0.1927% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 112  19.59 +/- 2.04   0.001% *  0.0536% (0.22  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  21.46 +/- 1.99   0.001% *  0.0536% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 112  28.71 +/- 1.29   0.000% *  0.0903% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 1.22, residual support = 7.36:
        T QD1   ILE   56 - HA    LYS+ 112   4.00 +/- 2.02  97.670% * 99.5756% (0.84 10.00   1.22   7.36) =  99.998%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  14.11 +/- 0.74   0.559% *  0.1798% (0.92  1.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - HA    LYS+ 112  12.18 +/- 1.50   1.609% *  0.0542% (0.28  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - HA    LYS+ 112  17.06 +/- 1.15   0.140% *  0.1103% (0.57  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 112  24.06 +/- 1.58   0.022% *  0.0801% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 7 structures by 1.14 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.856, support = 0.02, residual support = 0.182:
          QD    PHE   55 - HA    LYS+ 112   5.50 +/- 1.19  65.791% * 27.0710% (0.95   0.02   0.23) =  76.307%  kept
          QE    PHE   95 - HA    LYS+ 112   7.38 +/- 2.11  34.021% * 16.2019% (0.57   0.02   0.02) =  23.616%  kept
          HN    LEU   67 - HA    LYS+ 112  16.39 +/- 1.68   0.138% *  5.6634% (0.20   0.02   0.02) =   0.034%
          HE3   TRP   27 - HA    LYS+ 112  21.31 +/- 1.30   0.026% * 28.0508% (0.98   0.02   0.02) =   0.032%
          HN    THR   23 - HA    LYS+ 112  23.62 +/- 1.21   0.012% * 15.0563% (0.53   0.02   0.02) =   0.008%
          HN    LYS+  81 - HA    LYS+ 112  24.47 +/- 2.09   0.012% *  7.9567% (0.28   0.02   0.02) =   0.004%
    Distance limit 3.63 A violated in 15 structures by 1.29 A, eliminated.
    Peak unassigned.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.73, residual support = 231.1:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.78 +/- 0.06  99.969% * 99.7200% (0.92  10.0   5.73 231.10) = 100.000%  kept
          HN    MET   92 - HA    LYS+ 112  13.93 +/- 2.35   0.024% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HA    LYS+ 112  15.02 +/- 1.58   0.006% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HA    LYS+ 112  19.14 +/- 1.20   0.001% *  0.0937% (0.87   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  34.86 +/- 4.03   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 231.1:
          HN    LYS+ 112 - HG2   LYS+ 112   3.77 +/- 0.41  99.970% * 98.9775% (0.41   6.23 231.10) = 100.000%  kept
          HN    ASP-  78 - HG2   LYS+ 112  20.13 +/- 2.98   0.009% *  0.5910% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG2   LYS+ 112  16.97 +/- 2.16   0.021% *  0.2387% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG2   LYS+ 112  35.06 +/- 3.55   0.000% *  0.1928% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.722, support = 0.02, residual support = 0.02:
          QE    PHE   59 - HG2   LYS+ 112   7.63 +/- 2.02  39.802% * 30.2011% (0.90   0.02   0.02) =  53.346%  kept
          HN    PHE   59 - HG2   LYS+ 112   7.43 +/- 2.36  51.908% * 17.7173% (0.53   0.02   0.02) =  40.813%  kept
          QD    PHE   60 - HG2   LYS+ 112  10.56 +/- 1.67   7.720% * 15.0977% (0.45   0.02   0.02) =   5.173%  kept
          HN    LYS+  66 - HG2   LYS+ 112  15.71 +/- 2.43   0.465% * 31.0863% (0.92   0.02   0.02) =   0.641%  kept
          HN    LYS+  81 - HG2   LYS+ 112  24.85 +/- 3.05   0.105% *  5.8976% (0.18   0.02   0.02) =   0.027%
    Distance limit 4.02 A violated in 15 structures by 2.29 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 = 231.1:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.45 +/- 0.44  99.950% * 93.9398% (0.20  10.0 10.00   4.58 231.10) =  99.998%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  10.64 +/- 2.42   0.041% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   45 - HG2   LYS+ 112  14.84 +/- 2.54   0.008% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG2   LYS+ 112  17.24 +/- 1.93   0.001% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG2   LYS+ 112  24.31 +/- 3.01   0.000% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG2   LYS+ 112  30.91 +/- 2.20   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  31.93 +/- 2.39   0.000% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3218 (2.45, 1.05, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.65, residual support = 231.1:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.94 +/- 0.39  99.892% * 93.9398% (0.20  10.0 10.00   4.65 231.10) =  99.996%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  11.31 +/- 2.29   0.069% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          HB3   PHE   45 - HG3   LYS+ 112  14.89 +/- 2.58   0.033% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   LYS+ 112  17.49 +/- 2.09   0.005% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   LYS+ 112  24.36 +/- 3.11   0.001% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG3   LYS+ 112  31.28 +/- 2.18   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG3   LYS+ 112  32.45 +/- 2.29   0.000% *  0.2128% (0.45   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 3219 (7.36, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.437, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HG3   LYS+ 112   8.86 +/- 2.67  89.037% *  6.9459% (0.28   0.02   0.02) =  72.905%  kept
          HD1   TRP   49 - HG3   LYS+ 112  15.79 +/- 2.64   6.386% * 24.1093% (0.97   0.02   0.02) =  18.150%  kept
          HN    LEU   67 - HG3   LYS+ 112  17.66 +/- 1.80   3.789% * 17.1603% (0.69   0.02   0.02) =   7.666%  kept
          HD2   HIS   22 - HG3   LYS+ 112  26.91 +/- 2.60   0.222% * 24.9820% (1.00   0.02   0.02) =   0.653%  kept
          HN    THR   23 - HG3   LYS+ 112  24.14 +/- 2.12   0.482% *  7.7106% (0.31   0.02   0.02) =   0.438%
          HD21  ASN   35 - HG3   LYS+ 112  31.17 +/- 2.07   0.084% * 19.0919% (0.76   0.02   0.02) =   0.188%
    Distance limit 4.15 A violated in 19 structures by 4.46 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 = 231.1:
          HN    LYS+ 112 - HG3   LYS+ 112   3.26 +/- 0.34  99.991% * 98.9288% (0.41   5.94 231.10) = 100.000%  kept
          HN    ASP-  78 - HG3   LYS+ 112  20.13 +/- 2.99   0.003% *  0.6192% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 112  17.27 +/- 2.04   0.006% *  0.2501% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 112  35.67 +/- 3.64   0.000% *  0.2020% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.65, residual support = 231.1:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.34 +/- 0.14  99.963% * 95.1769% (0.20  10.0  1.00   3.65 231.10) = 100.000%  kept
          HB3   ASP-  62 - HD2   LYS+ 112  10.82 +/- 2.28   0.028% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HD2   LYS+ 112  18.65 +/- 2.67   0.001% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD2   LYS+ 112  15.81 +/- 3.31   0.008% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD2   LYS+ 112  25.52 +/- 3.65   0.000% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD2   LYS+ 112  31.86 +/- 2.63   0.000% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  32.84 +/- 2.72   0.000% *  0.2156% (0.45   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 3222 (0.36, 1.11, 29.98 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.53, residual support = 231.1:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.69 +/- 0.20  99.944% * 99.7845% (0.85  10.0   5.53 231.10) = 100.000%  kept
          QB    ALA   47 - HD3   LYS+ 112  12.86 +/- 2.56   0.047% *  0.1053% (0.89   1.0   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD3   LYS+ 112  13.34 +/- 1.57   0.009% *  0.1103% (0.94   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 231.1:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.41 +/- 0.16  99.955% * 98.0934% (0.19  10.0   2.96 231.10) = 100.000%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  10.31 +/- 2.05   0.040% *  0.4913% (0.94   1.0   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD3   LYS+ 112  16.02 +/- 3.07   0.004% *  0.0981% (0.19   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HD3   LYS+ 112  18.31 +/- 2.30   0.001% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD3   LYS+ 112  25.54 +/- 3.48   0.000% *  0.4140% (0.79   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD3   LYS+ 112  31.73 +/- 2.45   0.000% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  32.37 +/- 2.45   0.000% *  0.2222% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 231.1:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.45 +/- 0.44  99.690% * 99.5374% (0.75  10.0 10.00   4.58 231.10) = 100.000%  kept
          QB    ALA   47 - QE    LYS+ 112  10.61 +/- 2.17   0.119% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB3   ASP-  62  10.64 +/- 2.42   0.041% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - QE    LYS+ 112  11.09 +/- 1.63   0.031% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   ASP-  62   8.96 +/- 0.87   0.117% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   ASP-  62  14.77 +/- 0.60   0.004% *  0.0215% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.439, support = 1.45, residual support = 7.36:
          QD1   ILE   56 - QE    LYS+ 112   3.77 +/- 1.27  88.594% * 88.7506% (0.44   1.45   7.36) =  99.947%  kept
          QG2   THR   46 - QE    LYS+ 112  11.18 +/- 2.70   2.210% *  0.7179% (0.26   0.02   0.02) =   0.020%
          QD1   ILE   56 - HB3   ASP-  62   7.35 +/- 0.91   4.693% *  0.2504% (0.09   0.02   0.02) =   0.015%
          QG2   VAL   18 - HB3   ASP-  62   7.93 +/- 1.32   3.558% *  0.1956% (0.07   0.02   0.02) =   0.009%
          QG2   VAL   18 - QE    LYS+ 112  11.26 +/- 1.71   0.334% *  0.9562% (0.34   0.02   0.02) =   0.004%
          QG1   VAL   43 - QE    LYS+ 112  13.63 +/- 1.84   0.104% *  1.5046% (0.54   0.02   0.02) =   0.002%
          QD2   LEU   73 - QE    LYS+ 112  15.20 +/- 1.52   0.047% *  1.8624% (0.67   0.02   0.02) =   0.001%
          QD2   LEU   73 - HB3   ASP-  62  12.79 +/- 0.66   0.126% *  0.3810% (0.14   0.02   0.02) =   0.001%
          QG1   VAL   41 - QE    LYS+ 112  17.19 +/- 1.72   0.024% *  1.9427% (0.70   0.02   0.02) =   0.001%
          QG1   VAL   43 - HB3   ASP-  62  13.59 +/- 0.88   0.089% *  0.3078% (0.11   0.02   0.02) =   0.000%
          QG2   THR   46 - HB3   ASP-  62  12.40 +/- 1.25   0.175% *  0.1469% (0.05   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB3   ASP-  62  16.00 +/- 1.00   0.037% *  0.3975% (0.14   0.02   0.02) =   0.000%
          HG    LEU   31 - QE    LYS+ 112  22.27 +/- 2.13   0.004% *  2.1471% (0.77   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   ASP-  62  21.78 +/- 1.06   0.005% *  0.4393% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 3 structures by 0.51 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.806, support = 4.65, residual support = 231.1:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.94 +/- 0.39  90.996% * 98.8386% (0.81  10.0 10.00   4.65 231.10) =  99.998%  kept
          HG    LEU   63 - HB3   ASP-  62   5.19 +/- 1.03   8.583% *  0.0188% (0.15   1.0  1.00   0.02  42.43) =   0.002%
          HG    LEU   63 - QE    LYS+ 112   9.85 +/- 2.30   0.218% *  0.0918% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB3   ASP-  62  11.31 +/- 2.29   0.061% *  0.2022% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    LYS+ 112  10.42 +/- 1.40   0.092% *  0.0255% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QE    LYS+ 112  19.54 +/- 2.20   0.003% *  0.7827% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  14.18 +/- 1.92   0.041% *  0.0052% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  17.39 +/- 1.58   0.003% *  0.0158% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   ASP-  62  20.62 +/- 0.83   0.001% *  0.0160% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  17.51 +/- 1.88   0.003% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.495, support = 0.0199, residual support = 0.0199:
        T QG2   VAL  107 - QE    LYS+ 112   6.44 +/- 1.23  36.498% * 59.7816% (0.51 10.00   0.02   0.02) =  93.296%  kept
          HG13  ILE  119 - QE    LYS+ 112   8.22 +/- 1.45  13.491% *  6.3761% (0.54  1.00   0.02   0.02) =   3.678%  kept
          HG13  ILE  119 - HB3   ASP-  62   6.41 +/- 1.93  44.974% *  1.3045% (0.11  1.00   0.02   0.02) =   2.509%  kept
          QG2   VAL  107 - HB3   ASP-  62   9.99 +/- 1.63   3.275% *  1.2231% (0.10  1.00   0.02   0.02) =   0.171%
          QB    ALA   20 - QE    LYS+ 112  15.39 +/- 1.97   0.320% *  9.8344% (0.83  1.00   0.02   0.02) =   0.134%
          HG2   LYS+ 121 - QE    LYS+ 112  14.42 +/- 1.17   0.352% *  8.2327% (0.70  1.00   0.02   0.02) =   0.124%
          QB    ALA   20 - HB3   ASP-  62  13.99 +/- 0.94   0.548% *  2.0121% (0.17  1.00   0.02   0.02) =   0.047%
          HG2   LYS+ 121 - HB3   ASP-  62  14.34 +/- 2.22   0.355% *  1.6844% (0.14  1.00   0.02   0.02) =   0.026%
          HG13  ILE  103 - QE    LYS+ 112  17.66 +/- 1.97   0.097% *  1.9506% (0.17  1.00   0.02   0.02) =   0.008%
          HB3   LEU   31 - QE    LYS+ 112  23.67 +/- 2.48   0.019% *  5.9782% (0.51  1.00   0.02   0.02) =   0.005%
          HB3   LEU   31 - HB3   ASP-  62  22.99 +/- 1.47   0.020% *  1.2231% (0.10  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB3   ASP-  62  19.31 +/- 1.77   0.051% *  0.3991% (0.03  1.00   0.02   0.02) =   0.001%
    Distance limit 3.09 A violated in 17 structures by 2.17 A, eliminated.
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.725, support = 0.23, residual support = 0.225:
          QD    PHE   55 - QE    LYS+ 112   4.68 +/- 1.32  67.774% * 67.8065% (0.72   0.24   0.23) =  96.751%  kept
          QE    PHE   95 - QE    LYS+ 112   7.24 +/- 2.65  21.943% *  6.4734% (0.82   0.02   0.02) =   2.990%  kept
          QE    PHE   95 - HB3   ASP-  62   8.40 +/- 2.22   4.649% *  1.3244% (0.17   0.02   0.02) =   0.130%
          HN    LEU   67 - HB3   ASP-  62   7.79 +/- 0.71   4.543% *  0.8741% (0.11   0.02   0.02) =   0.084%
          HN    LEU   67 - QE    LYS+ 112  14.07 +/- 2.08   0.209% *  4.2722% (0.54   0.02   0.02) =   0.019%
          QD    PHE   55 - HB3   ASP-  62  10.83 +/- 0.93   0.678% *  1.1721% (0.15   0.02   0.02) =   0.017%
          HD1   TRP   49 - QE    LYS+ 112  14.36 +/- 2.42   0.106% *  2.0383% (0.26   0.02   0.02) =   0.005%
          HE3   TRP   27 - QE    LYS+ 112  19.42 +/- 2.04   0.019% *  5.2882% (0.67   0.02   0.02) =   0.002%
          HN    THR   23 - QE    LYS+ 112  20.70 +/- 2.16   0.013% *  6.3734% (0.81   0.02   0.02) =   0.002%
          HE3   TRP   27 - HB3   ASP-  62  19.32 +/- 0.78   0.017% *  1.0820% (0.14   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   ASP-  62  20.52 +/- 0.92   0.013% *  1.3040% (0.16   0.02   0.02) =   0.000%
          HD2   HIS   22 - QE    LYS+ 112  22.87 +/- 2.58   0.010% *  1.3069% (0.17   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASP-  62  19.96 +/- 1.26   0.013% *  0.4170% (0.05   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   ASP-  62  21.27 +/- 1.32   0.012% *  0.2674% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 8 structures by 0.70 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.836, support = 3.28, residual support = 20.9:
          HN    GLU- 114 - QB    ASP- 113   2.65 +/- 0.29  96.648% * 78.1310% (0.84   3.30  21.08) =  99.186%  kept
          HN    GLN  116 - QB    ASP- 113   5.01 +/- 0.22   2.964% * 20.8399% (0.98   0.75   1.49) =   0.811%  kept
          HN    THR  118 - QB    ASP- 113   7.15 +/- 0.59   0.374% *  0.4540% (0.80   0.02   0.02) =   0.002%
          HN    PHE   60 - QB    ASP- 113  12.18 +/- 0.96   0.014% *  0.3210% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ASP- 113  19.92 +/- 1.54   0.001% *  0.2542% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 3.3, residual support = 13.9:
      O   HN    ASP- 113 - QB    ASP- 113   2.13 +/- 0.16  99.998% * 99.9821% (0.98  10.0   3.30  13.91) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  15.53 +/- 1.94   0.002% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 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   7.77 +/- 1.45  98.567% * 39.4133% (0.41 10.00   0.02   0.02) =  99.359%  kept
        T HB3   LYS+  99 - HA    ASP- 113  21.42 +/- 1.65   0.421% * 50.4393% (0.53 10.00   0.02   0.02) =   0.542%  kept
          HB    ILE   89 - HA    ASP- 113  21.61 +/- 2.54   0.338% *  8.8499% (0.92  1.00   0.02   0.02) =   0.076%
          HB    VAL   43 - HA    ASP- 113  19.28 +/- 1.09   0.675% *  1.2975% (0.14  1.00   0.02   0.02) =   0.022%
    Distance limit 3.61 A violated in 20 structures by 4.16 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.794, support = 3.97, residual support = 49.0:
      O   HN    GLU- 114 - HA    GLU- 114   2.80 +/- 0.04  56.849% * 54.8574% (0.84  10.0   3.58  43.78) =  87.910%  kept
      O   HN    GLN  116 - HA    LEU  115   3.60 +/- 0.03  12.625% * 29.6265% (0.45  10.0   7.44  99.38) =  10.544%  kept
          HN    GLN  116 - HA    GLU- 114   4.32 +/- 0.28   4.628% *  9.8671% (0.98   1.0   3.07   0.17) =   1.287%  kept
          HN    GLU- 114 - HA    LEU  115   5.13 +/- 0.15   1.534% *  5.4750% (0.38   1.0   4.34  14.91) =   0.237%
          HN    THR  118 - HA    LEU  115   3.50 +/- 0.35  17.521% *  0.0242% (0.37   1.0   0.02   0.02) =   0.012%
          HN    THR  118 - HA    GLU- 114   4.38 +/- 0.71   6.713% *  0.0526% (0.80   1.0   0.02   0.02) =   0.010%
          HN    PHE   60 - HA    LEU  115   8.23 +/- 0.98   0.119% *  0.0171% (0.26   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.43 +/- 0.85   0.008% *  0.0372% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  15.46 +/- 1.89   0.003% *  0.0136% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  18.98 +/- 1.94   0.001% *  0.0294% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.57, support = 6.68, residual support = 157.6:
      O   HN    LEU  115 - HA    LEU  115   2.79 +/- 0.05  79.883% * 31.4756% (0.41  10.0   7.57 226.29) =  67.519%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.05  17.684% * 68.3936% (0.90  10.0   4.84  14.91) =  32.479%  kept
          HN    ASP- 113 - HA    GLU- 114   5.16 +/- 0.10   1.981% *  0.0212% (0.28   1.0   0.02  21.08) =   0.001%
          HN    ASP- 113 - HA    LEU  115   6.81 +/- 0.36   0.395% *  0.0098% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.42 +/- 2.01   0.046% *  0.0315% (0.41   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  13.00 +/- 1.61   0.011% *  0.0684% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 3.72, residual support = 43.8:
      O   HN    GLU- 114 - QB    GLU- 114   2.29 +/- 0.21  96.893% * 99.6664% (0.81  10.0   3.72  43.78) =  99.997%  kept
          HN    THR  118 - QB    GLU- 114   4.91 +/- 0.71   1.765% *  0.0955% (0.77   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - QB    GLU- 114   4.94 +/- 0.30   1.326% *  0.1170% (0.95   1.0   0.02   0.17) =   0.002%
          HN    PHE   60 - QB    GLU- 114  10.91 +/- 1.41   0.015% *  0.0676% (0.55   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    GLU- 114  16.97 +/- 1.86   0.001% *  0.0535% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 4.74, residual support = 15.1:
          HN    LEU  115 - QB    GLU- 114   3.10 +/- 0.45  89.284% * 82.4201% (0.87   4.78  14.91) =  97.570%  kept
          HN    ASP- 113 - QB    GLU- 114   4.61 +/- 0.24  10.634% * 17.2348% (0.27   3.22  21.08) =   2.430%  kept
          HN    PHE   97 - QB    GLU- 114  10.85 +/- 1.68   0.081% *  0.3451% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.837, support = 4.3, residual support = 42.6:
          HN    GLU- 114 - QG    GLU- 114   2.52 +/- 0.44  93.303% * 52.2410% (0.83   4.33  43.78) =  97.225%  kept
          HN    GLN  116 - QG    GLU- 114   4.89 +/- 0.69   2.926% * 47.2347% (0.98   3.34   0.17) =   2.757%  kept
          HN    THR  118 - QG    GLU- 114   5.26 +/- 0.91   3.743% *  0.2313% (0.80   0.02   0.02) =   0.017%
          HN    PHE   60 - QG    GLU- 114  10.67 +/- 1.15   0.026% *  0.1635% (0.56   0.02   0.02) =   0.000%
          HN    LEU   71 - QG    GLU- 114  16.92 +/- 1.84   0.003% *  0.1295% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 5.15, residual support = 14.9:
          HN    LEU  115 - QG    GLU- 114   2.96 +/- 1.03  99.838% * 98.3635% (0.45   5.15  14.91) =  99.999%  kept
          HN    PHE   97 - QG    GLU- 114  10.73 +/- 1.40   0.160% *  0.3821% (0.45   0.02   0.02) =   0.001%
          HN    ASN   35 - QG    GLU- 114  23.59 +/- 1.77   0.001% *  0.4483% (0.52   0.02   0.02) =   0.000%
          HN    ALA   12 - QG    GLU- 114  30.34 +/- 3.02   0.000% *  0.8061% (0.94   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.973, support = 0.565, residual support = 5.18:
          QG1   VAL  107 - QG    GLU- 114   3.42 +/- 0.78  90.079% * 71.1413% (0.98   0.58   5.37) =  96.431%  kept
          HD3   LYS+ 112 - QG    GLU- 114   7.58 +/- 1.65   9.511% * 24.9095% (0.83   0.24   0.02) =   3.565%  kept
          HG13  ILE  119 - QG    GLU- 114   8.68 +/- 1.05   0.398% *  0.5599% (0.22   0.02   0.02) =   0.003%
          QG1   VAL   24 - QG    GLU- 114  18.56 +/- 1.48   0.005% *  2.3217% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - QG    GLU- 114  18.68 +/- 1.67   0.005% *  0.4405% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG    GLU- 114  21.58 +/- 2.05   0.002% *  0.6271% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.29 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.585, support = 1.74, residual support = 5.37:
        T QG2   VAL  107 - QB    GLU- 114   3.18 +/- 0.76  99.172% * 99.3804% (0.59 10.00   1.74   5.37) =  99.999%  kept
          HG13  ILE  119 - QB    GLU- 114   8.68 +/- 1.29   0.520% *  0.1220% (0.62  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QB    GLU- 114  10.00 +/- 1.14   0.268% *  0.1576% (0.81  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QB    GLU- 114  17.94 +/- 1.37   0.007% *  0.1882% (0.96  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QB    GLU- 114  13.19 +/- 1.45   0.031% *  0.0373% (0.19  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QB    GLU- 114  21.73 +/- 1.62   0.002% *  0.1144% (0.59  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 4 structures by 0.39 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 6.28, residual support = 226.3:
      O T HA    LEU  115 - HB3   LEU  115   2.31 +/- 0.15  99.578% * 97.8960% (0.92  10.0 10.00   6.28 226.29) =  99.999%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.31 +/- 0.28   0.282% *  0.4755% (0.45   1.0 10.00   0.02  14.91) =   0.001%
        T HA    ARG+  54 - HB3   LEU  115  11.31 +/- 0.97   0.009% *  0.8858% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU   40   7.62 +/- 0.36   0.085% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   LEU   40  15.25 +/- 2.06   0.002% *  0.1149% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  14.02 +/- 6.03   0.022% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  10.67 +/- 1.32   0.014% *  0.0075% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU  115  17.15 +/- 1.11   0.001% *  0.0770% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  18.02 +/- 2.23   0.001% *  0.0558% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  14.72 +/- 0.48   0.002% *  0.0118% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  21.73 +/- 1.82   0.000% *  0.0849% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  22.74 +/- 1.82   0.000% *  0.1003% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  22.92 +/- 1.18   0.000% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  17.53 +/- 0.62   0.001% *  0.0218% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  21.54 +/- 2.13   0.000% *  0.0643% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  13.21 +/- 0.20   0.003% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  21.35 +/- 1.94   0.000% *  0.0327% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  24.28 +/- 1.23   0.000% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  28.13 +/- 1.82   0.000% *  0.0236% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  23.85 +/- 0.80   0.000% *  0.0038% (0.04   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 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.13, residual support = 226.3:
      O T QD1   LEU  115 - HB3   LEU  115   2.58 +/- 0.35  99.978% * 99.7570% (0.87  10.0 10.00   6.13 226.29) = 100.000%  kept
          QG1   VAL   75 - HB3   LEU  115  13.08 +/- 1.04   0.010% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  115 - HB3   LEU   40  14.45 +/- 2.31   0.007% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HB3   LEU   40  14.33 +/- 0.40   0.005% *  0.0132% (0.12   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 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.448, support = 7.3, residual support = 226.3:
      O T QD2   LEU  115 - HB3   LEU  115   2.62 +/- 0.38  92.162% * 98.9032% (0.45  10.0 10.00   7.30 226.29) =  99.992%  kept
          QD1   LEU   63 - HB3   LEU  115   6.25 +/- 1.42   3.449% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.007%
          QD2   LEU   63 - HB3   LEU  115   7.80 +/- 1.69   0.493% *  0.2036% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   LEU   40   5.77 +/- 1.16   2.275% *  0.0058% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   40   6.26 +/- 0.68   0.915% *  0.0097% (0.04   1.0  1.00   0.02  19.76) =   0.000%
          QD2   LEU   63 - HB3   LEU   40   8.40 +/- 1.74   0.216% *  0.0239% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU   40   8.38 +/- 0.81   0.130% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   LEU   40   9.41 +/- 1.50   0.094% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   40   7.86 +/- 0.70   0.220% *  0.0058% (0.03   1.0  1.00   0.02  10.26) =   0.000%
        T QD2   LEU  115 - HB3   LEU   40  13.28 +/- 2.17   0.010% *  0.1160% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU  115  14.58 +/- 1.56   0.005% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU  115  14.43 +/- 1.69   0.005% *  0.0828% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU  115  13.75 +/- 1.96   0.009% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   LEU  115  13.71 +/- 1.76   0.008% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  115  16.44 +/- 1.63   0.002% *  0.0907% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  16.94 +/- 1.60   0.002% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  15.18 +/- 0.96   0.003% *  0.0106% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  16.50 +/- 0.85   0.002% *  0.0058% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3246 (8.17, 1.46, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.955, support = 7.68, residual support = 92.3:
          HN    GLN  116 - HB3   LEU  115   4.05 +/- 0.31  40.165% * 69.5055% (0.98   8.09  99.38) =  92.051%  kept
          HN    GLU- 114 - HB3   LEU  115   5.66 +/- 0.50   6.477% * 25.2317% (0.84   3.45  14.91) =   5.388%  kept
          HN    LEU   71 - HB3   LEU   40   4.14 +/- 0.92  43.308% *  1.1945% (0.05   2.59   2.02) =   1.706%  kept
          HN    THR  118 - HB3   LEU  115   5.56 +/- 0.39   6.690% *  3.8250% (0.80   0.54   0.02) =   0.844%  kept
          HN    PHE   60 - HB3   LEU  115   6.89 +/- 1.21   3.293% *  0.0993% (0.57   0.02   0.02) =   0.011%
          HN    LEU   71 - HB3   LEU  115  15.86 +/- 1.80   0.014% *  0.0786% (0.45   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   40  14.44 +/- 2.24   0.029% *  0.0165% (0.09   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  17.35 +/- 2.08   0.008% *  0.0202% (0.12   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   40  15.44 +/- 1.09   0.013% *  0.0116% (0.07   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  19.59 +/- 1.94   0.004% *  0.0172% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 7.45, residual support = 226.3:
      O   HN    LEU  115 - HB3   LEU  115   3.13 +/- 0.40  98.398% * 99.8421% (0.90  10.0   7.45 226.29) =  99.999%  kept
          HN    ASP- 113 - HB3   LEU  115   6.62 +/- 0.79   1.303% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU  115  11.31 +/- 2.14   0.089% *  0.0998% (0.90   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU   40   9.49 +/- 0.83   0.203% *  0.0117% (0.11   1.0   0.02   1.45) =   0.000%
          HN    LEU  115 - HB3   LEU   40  17.69 +/- 1.87   0.006% *  0.0117% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  21.35 +/- 1.83   0.002% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 0.75, residual support = 2.23:
        T HA    LYS+ 112 - HB2   LEU  115   2.78 +/- 0.71  99.901% * 99.6055% (0.69 10.00   0.75   2.23) = 100.000%  kept
          HB2   HIS  122 - HB2   LEU  115  12.68 +/- 1.11   0.060% *  0.1590% (0.41  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LEU  115  13.35 +/- 1.85   0.039% *  0.0765% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB2   LEU  115  25.39 +/- 1.65   0.000% *  0.1590% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.947, support = 1.46, residual support = 6.91:
          QE    PHE   95 - HB2   LEU  115   5.73 +/- 2.18  65.829% * 54.4383% (0.98   1.50   9.10) =  71.030%  kept
          QD    PHE   55 - HB2   LEU  115   6.75 +/- 1.49  33.673% * 43.4000% (0.87   1.35   1.52) =  28.966%  kept
          HN    LEU   67 - HB2   LEU  115  14.50 +/- 1.40   0.371% *  0.4790% (0.65   0.02   0.02) =   0.004%
          HE3   TRP   27 - HB2   LEU  115  19.50 +/- 1.20   0.032% *  0.5930% (0.80   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU  115  17.05 +/- 1.66   0.073% *  0.2286% (0.31   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU  115  22.23 +/- 1.07   0.014% *  0.7146% (0.97   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU  115  24.74 +/- 1.78   0.008% *  0.1465% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 10 structures by 1.11 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.784, support = 7.29, residual support = 96.3:
          HN    GLN  116 - HB2   LEU  115   3.20 +/- 0.43  82.789% * 80.7260% (0.80   7.42  99.38) =  96.345%  kept
          HN    GLU- 114 - HB2   LEU  115   4.55 +/- 0.35  13.550% * 18.6389% (0.34   4.02  14.91) =   3.641%  kept
          HN    THR  118 - HB2   LEU  115   5.72 +/- 0.34   2.916% *  0.2665% (0.98   0.02   0.02) =   0.011%
          HN    PHE   60 - HB2   LEU  115   7.62 +/- 1.06   0.744% *  0.2665% (0.98   0.02   0.02) =   0.003%
          HN    GLU-  15 - HB2   LEU  115  22.75 +/- 1.69   0.001% *  0.1021% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 7.36, residual support = 226.3:
      O   HN    LEU  115 - HB2   LEU  115   2.19 +/- 0.26  99.245% * 99.8692% (0.90  10.0   7.36 226.29) = 100.000%  kept
          HN    ASP- 113 - HB2   LEU  115   5.21 +/- 0.64   0.750% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   LEU  115  12.42 +/- 1.69   0.006% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 0.497, support = 5.43, residual support = 69.7:
      O   HN    GLU- 114 - HA    GLU- 114   2.80 +/- 0.04  56.785% * 15.9221% (0.19  10.0   3.58  43.78) =  50.258%  kept
      O   HN    GLN  116 - HA    LEU  115   3.60 +/- 0.03  12.611% * 68.2909% (0.82  10.0   7.44  99.38) =  47.871%  kept
          HN    GLU- 114 - HA    LEU  115   5.13 +/- 0.15   1.532% * 12.6203% (0.70   1.0   4.34  14.91) =   1.075%  kept
          HN    GLN  116 - HA    GLU- 114   4.32 +/- 0.28   4.623% *  2.8639% (0.22   1.0   3.07   0.17) =   0.736%  kept
          HN    THR  118 - HA    LEU  115   3.50 +/- 0.35  17.502% *  0.0558% (0.67   1.0   0.02   0.02) =   0.054%
          HN    THR  118 - HA    GLU- 114   4.38 +/- 0.71   6.705% *  0.0153% (0.18   1.0   0.02   0.02) =   0.006%
          HN    PHE   60 - HA    LEU  115   8.23 +/- 0.98   0.119% *  0.0394% (0.47   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    ARG+  54   8.22 +/- 0.67   0.099% *  0.0221% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    ARG+  54  13.52 +/- 1.40   0.006% *  0.0383% (0.46   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    ARG+  54  14.47 +/- 1.12   0.003% *  0.0326% (0.39   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  15.46 +/- 1.89   0.003% *  0.0312% (0.37   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.43 +/- 0.85   0.008% *  0.0108% (0.13   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HA    ARG+  54  16.06 +/- 1.06   0.002% *  0.0313% (0.37   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  18.98 +/- 1.94   0.001% *  0.0085% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  20.80 +/- 1.16   0.000% *  0.0175% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 7.42, residual support = 214.2:
      O   HN    LEU  115 - HA    LEU  115   2.79 +/- 0.05  79.869% * 78.3350% (0.75  10.0   7.57 226.29) =  94.289%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.05  17.681% * 21.4329% (0.20  10.0   4.84  14.91) =   5.711%  kept
          HN    ASP- 113 - HA    GLU- 114   5.16 +/- 0.10   1.981% *  0.0066% (0.06   1.0   0.02  21.08) =   0.000%
          HN    ASP- 113 - HA    LEU  115   6.81 +/- 0.36   0.395% *  0.0243% (0.23   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.42 +/- 2.01   0.046% *  0.0783% (0.75   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ARG+  54  13.01 +/- 0.98   0.009% *  0.0439% (0.42   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  13.00 +/- 1.61   0.011% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  13.59 +/- 1.16   0.008% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ARG+  54  18.71 +/- 1.07   0.001% *  0.0439% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 7.5, residual support = 226.3:
          HN    LEU  115 - HG    LEU  115   3.79 +/- 0.62  92.976% * 99.4442% (0.78   7.50 226.29) =  99.993%  kept
          HN    ASP- 113 - HG    LEU  115   6.51 +/- 1.01   4.038% *  0.0823% (0.24   0.02   0.02) =   0.004%
          HN    PHE   97 - HG    LEU   40   7.49 +/- 0.89   2.712% *  0.0901% (0.26   0.02   1.45) =   0.003%
          HN    PHE   97 - HG    LEU  115  12.29 +/- 2.46   0.238% *  0.2653% (0.78   0.02   0.02) =   0.001%
          HN    LEU  115 - HG    LEU   40  16.26 +/- 1.75   0.028% *  0.0901% (0.26   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG    LEU   40  19.97 +/- 1.65   0.007% *  0.0279% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.30 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  10.47 +/- 1.34 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.77 A violated in 20 structures by 6.70 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.731, support = 1.32, residual support = 5.8:
          QE    PHE   95 - QD1   LEU  115   4.53 +/- 2.25  60.239% * 44.4953% (0.57   1.50   9.10) =  56.491%  kept
          QD    PHE   55 - QD1   LEU  115   5.35 +/- 1.61  38.633% * 53.4275% (0.95   1.08   1.52) =  43.503%  kept
          HN    LEU   67 - QD1   LEU  115  11.58 +/- 1.42   1.083% *  0.2074% (0.20   0.02   0.02) =   0.005%
          HE3   TRP   27 - QD1   LEU  115  15.99 +/- 1.89   0.025% *  1.0271% (0.98   0.02   0.02) =   0.001%
          HN    THR   23 - QD1   LEU  115  17.94 +/- 1.29   0.012% *  0.5513% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  115  19.34 +/- 1.91   0.007% *  0.2914% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 5 structures by 0.66 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.47, residual support = 29.4:
          QD    PHE   59 - QD1   LEU  115   3.45 +/- 0.94  99.462% * 98.7171% (0.95   4.47  29.37) =  99.998%  kept
          HH2   TRP   49 - QD1   LEU  115  12.54 +/- 2.25   0.496% *  0.3902% (0.84   0.02   0.02) =   0.002%
          HD1   TRP   27 - QD1   LEU  115  17.59 +/- 1.84   0.027% *  0.4419% (0.95   0.02   0.02) =   0.000%
          HE21  GLN   30 - QD1   LEU  115  17.42 +/- 2.44   0.015% *  0.4508% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 1 structures by 0.32 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.54, residual support = 9.1:
          QD    PHE   95 - QD2   LEU  115   4.50 +/- 2.24  98.480% * 99.5851% (0.84   1.54   9.10) =  99.994%  kept
          HN    ALA   47 - QD2   LEU  115  11.81 +/- 1.69   1.520% *  0.4149% (0.27   0.02   0.02) =   0.006%
    Distance limit 3.38 A violated in 8 structures by 1.37 A, kept.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.893, support = 2.76, residual support = 29.4:
          QE    PHE   59 - QD2   LEU  115   3.30 +/- 1.15  76.654% * 83.0579% (0.89   2.88  29.37) =  94.758%  kept
          HN    PHE   59 - QD2   LEU  115   5.11 +/- 1.49  21.785% * 16.1475% (0.93   0.54  29.37) =   5.236%  kept
          HN    HIS  122 - QD2   LEU  115   7.83 +/- 0.91   1.245% *  0.2801% (0.43   0.02   0.02) =   0.005%
          HN    LYS+  66 - QD2   LEU  115  10.06 +/- 1.37   0.299% *  0.2801% (0.43   0.02   0.02) =   0.001%
          HH2   TRP   87 - QD2   LEU  115  16.19 +/- 2.39   0.017% *  0.2345% (0.36   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 4 structures by 0.51 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.607, support = 3.93, residual support = 14.5:
        T QD1   ILE  119 - HA    GLN  116   3.11 +/- 0.76  98.885% * 99.5742% (0.61 10.00   3.93  14.52) =  99.999%  kept
          QD1   LEU   67 - HA    GLN  116  10.78 +/- 2.87   0.902% *  0.0560% (0.34  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    GLN  116  12.64 +/- 2.37   0.059% *  0.0616% (0.38  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    GLN  116  11.12 +/- 0.60   0.097% *  0.0325% (0.20  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    GLN  116  13.79 +/- 1.32   0.028% *  0.0409% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    GLN  116  14.84 +/- 2.56   0.022% *  0.0507% (0.31  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    GLN  116  18.23 +/- 1.66   0.003% *  0.1553% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    GLN  116  18.57 +/- 2.07   0.004% *  0.0288% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 1 structures by 0.26 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.922, support = 6.28, residual support = 99.3:
          QD2   LEU  115 - HA    GLN  116   3.00 +/- 1.11  78.828% * 98.5600% (0.92   6.29  99.38) =  99.916%  kept
          QD1   LEU   63 - HA    GLN  116   5.96 +/- 2.26  18.250% *  0.3328% (0.98   0.02   0.02) =   0.078%
          QD2   LEU   63 - HA    GLN  116   6.88 +/- 2.12   2.909% *  0.1522% (0.45   0.02   0.02) =   0.006%
          QD1   LEU  104 - HA    GLN  116  13.75 +/- 2.46   0.008% *  0.2332% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLN  116  16.26 +/- 1.92   0.003% *  0.3328% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLN  116  19.34 +/- 1.67   0.001% *  0.3045% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLN  116  20.07 +/- 1.73   0.001% *  0.0847% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 3 structures by 0.29 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.48, residual support = 14.5:
          HN    ILE  119 - HA    GLN  116   3.42 +/- 0.27  99.994% * 97.1357% (0.57   2.48  14.52) = 100.000%  kept
          HN    CYS   21 - HA    GLN  116  21.28 +/- 1.59   0.002% *  1.3352% (0.97   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN  116  21.38 +/- 1.13   0.002% *  0.4719% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    GLN  116  25.49 +/- 2.17   0.001% *  0.7833% (0.57   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLN  116  25.34 +/- 2.49   0.001% *  0.2738% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 6.94, residual support = 121.9:
      O   HN    GLN  116 - HA    GLN  116   2.76 +/- 0.06  93.668% * 89.8332% (0.98  10.0   6.97 122.77) =  99.323%  kept
          HN    THR  118 - HA    GLN  116   4.51 +/- 0.38   5.731% *  9.9973% (0.80   1.0   2.72   0.02) =   0.676%  kept
          HN    GLU- 114 - HA    GLN  116   6.82 +/- 0.23   0.421% *  0.0766% (0.84   1.0   0.02   0.17) =   0.000%
          HN    PHE   60 - HA    GLN  116   8.52 +/- 1.26   0.177% *  0.0519% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLN  116  16.20 +/- 2.51   0.003% *  0.0411% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3264 (4.38, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 0.75, residual support = 1.49:
          HA    ASP- 113 - HB2   GLN  116   2.97 +/- 0.62  99.610% * 66.5564% (0.49  1.00   0.75   1.49) =  99.967%  kept
        T HA    PRO   58 - HB2   GLN  116  11.98 +/- 1.60   0.071% * 14.9903% (0.41 10.00   0.02   0.02) =   0.016%
          HA    ILE   56 - HB2   GLN  116   9.05 +/- 1.52   0.269% *  3.5189% (0.97  1.00   0.02   0.02) =   0.014%
          HA    LEU  123 - HB2   GLN  116  12.12 +/- 0.79   0.045% *  3.6382% (1.00  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HB2   GLN  116  20.95 +/- 2.13   0.002% *  3.0456% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   GLN  116  20.29 +/- 2.02   0.002% *  2.0644% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   GLN  116  23.01 +/- 1.94   0.001% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   GLN  116  27.73 +/- 1.90   0.000% *  3.4492% (0.95  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN  116  29.09 +/- 2.02   0.000% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.448, support = 7.0, residual support = 99.3:
          QD2   LEU  115 - HB2   GLN  116   4.25 +/- 1.08  80.245% * 97.5302% (0.45   7.01  99.38) =  99.871%  kept
          QD1   LEU   63 - HB2   GLN  116   7.92 +/- 2.16  15.509% *  0.4970% (0.80   0.02   0.02) =   0.098%
          QD2   LEU   63 - HB2   GLN  116   8.87 +/- 2.12   4.148% *  0.5730% (0.92   0.02   0.02) =   0.030%
          QD1   LEU   73 - HB2   GLN  116  18.15 +/- 1.50   0.014% *  0.4970% (0.80   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   GLN  116  15.20 +/- 1.95   0.041% *  0.1382% (0.22   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   GLN  116  17.73 +/- 1.36   0.015% *  0.2330% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   GLN  116  17.21 +/- 1.57   0.017% *  0.1382% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   GLN  116  20.74 +/- 1.57   0.005% *  0.2552% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   GLN  116  21.28 +/- 1.54   0.005% *  0.1382% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 4 structures by 0.58 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 6.98, residual support = 99.3:
          QD2   LEU  115 - HG2   GLN  116   3.60 +/- 1.39  78.999% * 98.7939% (1.00   6.98  99.38) =  99.945%  kept
          QD1   LEU   63 - HG2   GLN  116   6.72 +/- 2.61  16.990% *  0.2363% (0.84   0.02   0.02) =   0.051%
          QD2   LEU   63 - HG2   GLN  116   7.62 +/- 2.57   3.991% *  0.0705% (0.25   0.02   0.02) =   0.004%
          QD1   LEU  104 - HG2   GLN  116  15.12 +/- 2.25   0.013% *  0.2537% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG2   GLN  116  17.22 +/- 1.84   0.004% *  0.2363% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG2   GLN  116  20.08 +/- 1.77   0.002% *  0.2823% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG2   GLN  116  20.92 +/- 1.88   0.001% *  0.1268% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 4 structures by 0.52 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 4.37, residual support = 122.8:
      O   HE21  GLN  116 - HG2   GLN  116   2.49 +/- 0.43  98.207% * 99.6673% (0.65  10.0   4.37 122.77) =  99.999%  kept
          HN    ALA  120 - HG2   GLN  116   5.51 +/- 0.57   1.702% *  0.0428% (0.28   1.0   0.02   0.38) =   0.001%
          HN    ALA   57 - HG2   GLN  116  10.12 +/- 2.13   0.092% *  0.1119% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG2   GLN  116  25.92 +/- 2.44   0.000% *  0.1510% (0.98   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  28.86 +/- 2.66   0.000% *  0.0270% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3268 (8.18, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 7.35, residual support = 122.8:
          HN    GLN  116 - HG2   GLN  116   3.38 +/- 0.43  94.852% * 99.0990% (0.80   7.35 122.77) =  99.985%  kept
          HN    THR  118 - HG2   GLN  116   6.35 +/- 0.49   2.897% *  0.3299% (0.98   0.02   0.02) =   0.010%
          HN    PHE   60 - HG2   GLN  116   8.82 +/- 1.66   1.118% *  0.3299% (0.98   0.02   0.02) =   0.004%
          HN    GLU- 114 - HG2   GLN  116   7.14 +/- 0.72   1.131% *  0.1148% (0.34   0.02   0.17) =   0.001%
          HN    GLU-  15 - HG2   GLN  116  22.42 +/- 2.20   0.002% *  0.1263% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HB2   GLN  116   9.00 +/- 1.49  45.911% * 15.3326% (0.76   0.02   0.02) =  62.440%  kept
          QD    PHE   55 - HB2   GLN  116   8.89 +/- 2.46  49.696% *  6.8436% (0.34   0.02   0.02) =  30.168%  kept
          HN    LEU   67 - HB2   GLN  116  14.89 +/- 1.67   3.761% * 20.0629% (1.00   0.02   0.02) =   6.693%  kept
          HD1   TRP   49 - HB2   GLN  116  21.14 +/- 2.11   0.269% * 16.7579% (0.84   0.02   0.02) =   0.400%
          HN    THR   23 - HB2   GLN  116  26.12 +/- 1.32   0.086% * 16.0651% (0.80   0.02   0.02) =   0.123%
          HE3   TRP   27 - HB2   GLN  116  23.22 +/- 1.02   0.176% *  5.5782% (0.28   0.02   0.02) =   0.087%
          HD2   HIS   22 - HB2   GLN  116  28.16 +/- 1.88   0.055% * 13.7814% (0.69   0.02   0.02) =   0.067%
          HD21  ASN   35 - HB2   GLN  116  29.58 +/- 2.24   0.047% *  5.5782% (0.28   0.02   0.02) =   0.023%
    Distance limit 3.72 A violated in 18 structures by 3.89 A, eliminated.
    Peak unassigned.
 
    Peak 3270 (8.17, 2.37, 29.51 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 7.57, residual support = 122.8:
      O   HN    GLN  116 - HB2   GLN  116   2.11 +/- 0.08  99.068% * 99.7303% (0.98  10.0   7.57 122.77) =  99.999%  kept
          HN    GLU- 114 - HB2   GLN  116   5.10 +/- 0.38   0.583% *  0.0850% (0.84   1.0   0.02   0.17) =   0.001%
          HN    THR  118 - HB2   GLN  116   5.50 +/- 0.30   0.340% *  0.0815% (0.80   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB2   GLN  116  10.36 +/- 1.15   0.009% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   GLN  116  18.73 +/- 2.07   0.000% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 27.9:
          HN    SER  117 - HB2   GLN  116   3.21 +/- 0.23  99.998% * 99.5584% (0.98   4.87  27.85) = 100.000%  kept
          HN    GLY   16 - HB2   GLN  116  21.04 +/- 2.11   0.002% *  0.3487% (0.84   0.02   0.02) =   0.000%
          HN    SER   82 - HB2   GLN  116  28.53 +/- 1.76   0.000% *  0.0929% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.87, residual support = 27.9:
      O   HN    SER  117 - HA    GLN  116   3.57 +/- 0.05  99.993% * 99.8922% (0.98  10.0   4.87  27.85) = 100.000%  kept
          HN    GLY   16 - HA    GLN  116  18.56 +/- 2.21   0.007% *  0.0851% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  27.27 +/- 1.74   0.001% *  0.0227% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3273 (1.48, 4.24, 61.69 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 2.37, residual support = 6.4:
        T QB    ALA  120 - HA    SER  117   2.75 +/- 0.40  94.627% * 99.2618% (0.92 10.00   2.37   6.40) =  99.999%  kept
          HD2   LYS+ 121 - HA    SER  117   5.76 +/- 1.62   4.890% *  0.0188% (0.18  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HA    SER  117   8.04 +/- 0.82   0.265% *  0.0993% (0.92  1.00   0.02   1.68) =   0.000%
          HB3   LEU  115 - HA    SER  117   8.14 +/- 0.26   0.189% *  0.0404% (0.38  1.00   0.02   1.68) =   0.000%
          HG    LEU   67 - HA    SER  117  15.11 +/- 2.98   0.014% *  0.0523% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    SER  117  15.98 +/- 2.69   0.004% *  0.1075% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    SER  117  15.14 +/- 2.61   0.007% *  0.0404% (0.38  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    SER  117  22.41 +/- 1.20   0.000% *  0.2990% (0.28 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  17.17 +/- 1.38   0.002% *  0.0239% (0.22  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    SER  117  21.24 +/- 1.25   0.001% *  0.0566% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.469, support = 1.45, residual support = 17.5:
          HE21  GLN  116 - HA    SER  117   5.65 +/- 1.38  14.103% * 84.6539% (0.65   2.10  27.85) =  51.676%  kept
          HN    ALA  120 - HA    SER  117   3.56 +/- 0.23  85.876% * 13.0002% (0.28   0.75   6.40) =  48.323%  kept
          HN    ALA   57 - HA    SER  117  14.67 +/- 1.21   0.020% *  0.9054% (0.73   0.02   0.02) =   0.001%
          HE21  GLN   90 - HA    SER  117  26.87 +/- 2.00   0.001% *  1.2222% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HA    SER  117  27.50 +/- 2.96   0.001% *  0.2184% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3275 (8.68, 4.24, 61.69 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 3.58, residual support = 16.1:
      O   HN    SER  117 - HA    SER  117   2.77 +/- 0.05  99.999% * 99.9049% (0.57  10.0   3.58  16.10) = 100.000%  kept
          HN    GLY   16 - HA    SER  117  21.13 +/- 2.05   0.001% *  0.0602% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   20 - HA    SER  117  24.44 +/- 1.03   0.000% *  0.0349% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3278 (7.30, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 0.23, support = 0.0198, residual support = 0.0198:
          HN    LYS+  81 - QB    SER   85   7.02 +/- 0.32  53.951% *  3.4992% (0.12   0.02   0.02) =  38.824%  kept
          QD    PHE   55 - QB    SER  117  10.71 +/- 1.70   6.970% * 14.4446% (0.49   0.02   0.02) =  20.703%  kept
          QE    PHE   95 - QB    SER  117   8.53 +/- 0.92  19.280% *  4.5788% (0.15   0.02   0.02) =  18.154%  kept
          HN    LYS+  81 - QB    SER   48  10.47 +/- 1.47   6.999% *  5.8981% (0.20   0.02   0.02) =   8.489%  kept
          QD    PHE   60 - QB    SER  117  11.50 +/- 0.99   3.173% * 12.2000% (0.41   0.02   0.02) =   7.960%  kept
          QD    PHE   60 - QB    SER   48  12.44 +/- 1.61   2.528% *  3.1728% (0.11   0.02   0.02) =   1.649%  kept
          HE3   TRP   27 - QB    SER   85  12.10 +/- 1.28   2.522% *  2.5923% (0.09   0.02   0.02) =   1.344%  kept
          QD    PHE   55 - QB    SER   48  13.04 +/- 1.19   1.470% *  3.7566% (0.13   0.02   0.02) =   1.136%  kept
          HE3   TRP   27 - QB    SER   48  15.18 +/- 1.96   0.770% *  4.3694% (0.15   0.02   0.02) =   0.692%  kept
          HE3   TRP   27 - QB    SER  117  20.09 +/- 1.19   0.103% * 16.8009% (0.57   0.02   0.02) =   0.356%
          QE    PHE   95 - QB    SER   48  13.81 +/- 2.04   1.422% *  1.1908% (0.04   0.02   0.02) =   0.348%
          HN    LYS+  81 - QB    SER  117  24.82 +/- 1.31   0.029% * 22.6789% (0.76   0.02   0.02) =   0.133%
          QD    PHE   60 - QB    SER   85  17.06 +/- 0.68   0.264% *  1.8824% (0.06   0.02   0.02) =   0.102%
          QE    PHE   95 - QB    SER   85  16.19 +/- 1.17   0.416% *  0.7065% (0.02   0.02   0.02) =   0.060%
          QD    PHE   55 - QB    SER   85  20.11 +/- 1.67   0.105% *  2.2287% (0.08   0.02   0.02) =   0.048%
    Distance limit 3.78 A violated in 20 structures by 2.55 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 68.07 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.85, residual support = 38.4:
      O T QG2   THR  118 - HB    THR  118   2.16 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   3.85  38.37) = 100.000%  kept
    Distance limit 3.07 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 = 0.893, support = 1.89, residual support = 9.01:
          QG1   VAL  107 - HB    THR  118   2.61 +/- 1.92  85.120% * 56.3381% (0.98   1.50   4.70) =  88.532%  kept
          HG13  ILE  119 - HB    THR  118   5.23 +/- 0.77  14.792% * 41.9891% (0.22   4.92  42.27) =  11.467%  kept
          HD3   LYS+ 112 - HB    THR  118  10.42 +/- 1.40   0.086% *  0.6401% (0.84   0.02   0.02) =   0.001%
          QG1   VAL   24 - HB    THR  118  19.23 +/- 1.99   0.001% *  0.7074% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    THR  118  20.64 +/- 1.88   0.001% *  0.1911% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    THR  118  19.25 +/- 1.43   0.001% *  0.1342% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3282 (7.24, 3.88, 68.07 ppm):
    4 chemical-shift based assignments, quality = 0.492, support = 1.73, residual support = 10.4:
          QE    PHE   59 - HB    THR  118   3.58 +/- 1.33  93.222% * 39.2604% (0.45   1.78  11.21) =  90.702%  kept
          HN    HIS  122 - HB    THR  118   7.02 +/- 0.20   6.347% * 59.0598% (0.92   1.30   2.81) =   9.289%  kept
          HN    PHE   59 - HB    THR  118   9.76 +/- 1.02   0.394% *  0.8241% (0.84   0.02  11.21) =   0.008%
          HH2   TRP   87 - HB    THR  118  17.40 +/- 2.11   0.037% *  0.8558% (0.87   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 5 structures by 0.36 A, kept.
 
    Peak 3283 (8.18, 3.88, 68.07 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.7, residual support = 38.4:
      O   HN    THR  118 - HB    THR  118   2.07 +/- 0.12  99.465% * 99.7459% (0.98  10.0   3.70  38.37) = 100.000%  kept
          HN    GLN  116 - HB    THR  118   5.33 +/- 0.44   0.426% *  0.0815% (0.80   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB    THR  118   6.94 +/- 0.73   0.094% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB    THR  118   9.35 +/- 0.84   0.014% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB    THR  118  22.07 +/- 2.10   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3284 (0.26, 3.69, 67.42 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 3.89, residual support = 38.4:
      O T QG2   THR  118 - HA    THR  118   2.74 +/- 0.18 100.000% *100.0000% (0.14  10.0 10.00   3.89  38.37) = 100.000%  kept
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3285 (0.95, 3.69, 67.42 ppm):
    5 chemical-shift based assignments, quality = 0.861, support = 0.0199, residual support = 42.1:
        T QG2   ILE  119 - HA    THR  118   6.05 +/- 0.05  87.974% * 82.9340% (0.87 10.00   0.02  42.27) =  99.536%  kept
          QD1   ILE  103 - HA    THR  118  11.73 +/- 2.09   2.391% *  7.1780% (0.75  1.00   0.02   0.02) =   0.234%
          QG2   ILE  103 - HA    THR  118   9.74 +/- 2.27   9.068% *  1.5050% (0.16  1.00   0.02   0.02) =   0.186%
          QD2   LEU   71 - HA    THR  118  14.98 +/- 1.60   0.478% *  6.2402% (0.65  1.00   0.02   0.02) =   0.041%
          HG3   LYS+  74 - HA    THR  118  19.43 +/- 1.25   0.088% *  2.1428% (0.22  1.00   0.02   0.02) =   0.003%
    Distance limit 3.13 A violated in 20 structures by 2.92 A, eliminated.
    Peak unassigned.
 
    Peak 3286 (1.10, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.6, support = 2.86, residual support = 20.1:
          QG1   VAL  107 - HA    THR  118   4.69 +/- 1.90  81.127% * 24.6419% (0.88  1.00   1.50   4.70) =  58.998%  kept
        T HG13  ILE  119 - HA    THR  118   6.26 +/- 0.54  18.616% * 74.6264% (0.20 10.00   4.81  42.27) =  41.000%  kept
          HD3   LYS+ 112 - HA    THR  118  12.59 +/- 1.45   0.234% *  0.2800% (0.75  1.00   0.02   0.02) =   0.002%
          QG1   VAL   24 - HA    THR  118  20.40 +/- 2.42   0.008% *  0.3094% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    THR  118  20.77 +/- 2.31   0.007% *  0.0836% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    THR  118  20.32 +/- 1.71   0.008% *  0.0587% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 3 structures by 0.64 A, kept.
 
    Peak 3287 (1.50, 3.69, 67.42 ppm):
    10 chemical-shift based assignments, quality = 0.545, support = 2.56, residual support = 8.56:
        T HB3   LYS+ 121 - HA    THR  118   3.62 +/- 0.30  34.458% * 66.2011% (0.22 10.00   2.63   8.56) =  51.736%  kept
          HD2   LYS+ 121 - HA    THR  118   3.10 +/- 1.29  65.193% * 32.6430% (0.89  1.00   2.48   8.56) =  48.263%  kept
          QD    LYS+  66 - HA    THR  118  11.90 +/- 2.45   0.162% *  0.1928% (0.65  1.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    THR  118  11.47 +/- 2.87   0.056% *  0.0662% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    THR  118  10.90 +/- 1.83   0.074% *  0.0465% (0.16  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR  118  16.16 +/- 1.72   0.011% *  0.2655% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    THR  118  12.54 +/- 2.38   0.041% *  0.0591% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    THR  118  18.64 +/- 1.32   0.002% *  0.2218% (0.75  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    THR  118  19.58 +/- 1.34   0.002% *  0.2631% (0.89  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    THR  118  18.48 +/- 1.35   0.002% *  0.0410% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.685, support = 0.0199, residual support = 41.7:
        T HB    ILE  119 - HA    THR  118   5.73 +/- 0.16  82.290% * 57.0728% (0.69 10.00   0.02  42.27) =  98.564%  kept
          HB    VAL  108 - HA    THR  118  10.85 +/- 2.66   7.322% *  7.0645% (0.85  1.00   0.02   0.02) =   1.086%  kept
          HB3   PRO   68 - HA    THR  118  15.12 +/- 4.32   8.981% *  1.1523% (0.14  1.00   0.02   0.02) =   0.217%
          HB2   PRO   93 - HA    THR  118  15.07 +/- 2.19   0.629% *  7.0645% (0.85  1.00   0.02   0.02) =   0.093%
          HG2   PRO   58 - HA    THR  118  13.87 +/- 1.58   0.484% *  1.3079% (0.16  1.00   0.02   0.02) =   0.013%
          HB2   ARG+  54 - HA    THR  118  19.60 +/- 1.19   0.052% *  7.3202% (0.88  1.00   0.02   0.02) =   0.008%
          HB3   GLU- 100 - HA    THR  118  19.44 +/- 2.85   0.074% *  5.1298% (0.62  1.00   0.02   0.02) =   0.008%
          HB2   GLN   30 - HA    THR  118  20.22 +/- 1.91   0.046% *  5.7073% (0.69  1.00   0.02   0.02) =   0.006%
          HG3   GLN   30 - HA    THR  118  20.75 +/- 2.10   0.041% *  3.3482% (0.40  1.00   0.02   0.02) =   0.003%
          HG3   PRO   52 - HA    THR  118  19.29 +/- 1.34   0.059% *  1.3079% (0.16  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HA    THR  118  24.71 +/- 2.66   0.016% *  1.6626% (0.20  1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - HA    THR  118  30.91 +/- 3.56   0.005% *  1.8622% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 20 structures by 1.86 A, eliminated.
    Peak unassigned.
 
    Peak 3289 (2.28, 3.69, 67.42 ppm):
    8 chemical-shift based assignments, quality = 0.401, support = 0.02, residual support = 42.2:
        T HG12  ILE  119 - HA    THR  118   5.43 +/- 0.20  99.026% * 44.9828% (0.40 10.00   0.02  42.27) =  99.801%  kept
          HB2   ASP-  44 - HA    THR  118  13.65 +/- 1.34   0.473% *  9.4912% (0.85  1.00   0.02   0.02) =   0.101%
          HB3   PHE   72 - HA    THR  118  14.52 +/- 1.44   0.333% *  8.7032% (0.78  1.00   0.02   0.02) =   0.065%
          QG    GLU-  15 - HA    THR  118  18.94 +/- 2.44   0.078% *  9.9446% (0.89  1.00   0.02   0.02) =   0.017%
          QG    GLN   90 - HA    THR  118  20.27 +/- 1.68   0.042% *  8.0341% (0.72  1.00   0.02   0.02) =   0.008%
          QG    GLU-  14 - HA    THR  118  21.97 +/- 2.10   0.029% *  9.2620% (0.83  1.00   0.02   0.02) =   0.006%
          QB    MET   11 - HA    THR  118  27.74 +/- 3.21   0.008% *  8.0341% (0.72  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HA    THR  118  25.68 +/- 1.72   0.010% *  1.5481% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 20 structures by 1.64 A, eliminated.
    Peak unassigned.
 
    Peak 3290 (3.89, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.13, residual support = 38.4:
      O T HB    THR  118 - HA    THR  118   2.97 +/- 0.07  99.919% * 99.8099% (0.72  10.0 10.00   3.13  38.37) = 100.000%  kept
          HA    PHE   60 - HA    THR  118  10.34 +/- 1.22   0.074% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  17.61 +/- 2.37   0.003% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR  118  18.51 +/- 1.97   0.002% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  21.34 +/- 2.38   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  24.30 +/- 2.53   0.000% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3291 (7.19, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.842, support = 0.0198, residual support = 11.1:
          QD    PHE   59 - HA    THR  118   7.12 +/- 0.89  99.218% * 25.6201% (0.85   0.02  11.21) =  99.228%  kept
          HE21  GLN   30 - HA    THR  118  19.91 +/- 2.13   0.382% * 26.1376% (0.87   0.02   0.02) =   0.390%
          HD1   TRP   27 - HA    THR  118  20.68 +/- 2.26   0.244% * 25.6201% (0.85   0.02   0.02) =   0.244%
          HH2   TRP   49 - HA    THR  118  21.80 +/- 1.57   0.156% * 22.6222% (0.75   0.02   0.02) =   0.138%
    Distance limit 3.43 A violated in 20 structures by 3.69 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 67.42 ppm):
    3 chemical-shift based assignments, quality = 0.471, support = 0.02, residual support = 0.02:
          HN    LEU  123 - HA    THR  118   6.88 +/- 0.22  99.749% * 43.4534% (0.47   0.02   0.02) =  99.830%  kept
          HZ2   TRP   49 - HA    THR  118  20.99 +/- 1.28   0.138% * 40.2018% (0.44   0.02   0.02) =   0.128%
          HE21  GLN   17 - HA    THR  118  22.20 +/- 1.81   0.113% * 16.3448% (0.18   0.02   0.02) =   0.043%
    Distance limit 3.81 A violated in 20 structures by 3.07 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 67.42 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 5.46, residual support = 42.3:
      O   HN    ILE  119 - HA    THR  118   3.55 +/- 0.05  99.989% * 99.6357% (0.51  10.0   5.46  42.27) = 100.000%  kept
          HN    CYS   21 - HA    THR  118  21.10 +/- 1.70   0.003% *  0.1698% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    THR  118  19.51 +/- 2.14   0.005% *  0.0600% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    THR  118  22.83 +/- 2.02   0.002% *  0.0996% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    THR  118  22.12 +/- 2.33   0.002% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3294 (8.20, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.508, support = 3.84, residual support = 38.4:
      O   HN    THR  118 - HA    THR  118   2.82 +/- 0.03  99.554% * 99.6520% (0.51  10.0   3.84  38.37) = 100.000%  kept
          HN    GLN  116 - HA    THR  118   7.04 +/- 0.18   0.420% *  0.0543% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    THR  118  11.43 +/- 0.80   0.025% *  0.1409% (0.72   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    THR  118  22.53 +/- 2.22   0.001% *  0.1527% (0.78   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.378, support = 3.16, residual support = 38.4:
      O T HA    THR  118 - HB    THR  118   2.97 +/- 0.07  90.871% * 73.4704% (0.38  10.0 10.00   3.13  38.37) =  98.258%  kept
          HA    ILE  119 - HB    THR  118   4.96 +/- 0.26   4.527% * 26.1123% (0.53   1.0  1.00   5.07  42.27) =   1.740%  kept
          HA2   GLY  109 - HB    THR  118  10.30 +/- 2.57   4.566% *  0.0302% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   58 - HB    THR  118  11.34 +/- 0.98   0.033% *  0.0953% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    THR  118  17.88 +/- 1.12   0.002% *  0.1496% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    THR  118  18.79 +/- 1.57   0.002% *  0.0544% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    THR  118  22.30 +/- 1.16   0.001% *  0.0878% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3296 (1.11, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.545, support = 4.0, residual support = 17.7:
          QG1   VAL  107 - QG2   THR  118   2.86 +/- 1.74  80.256% * 31.4161% (0.51   3.16   4.70) =  65.451%  kept
          HG13  ILE  119 - QG2   THR  118   3.81 +/- 0.77  19.689% * 67.5957% (0.62   5.60  42.27) =  34.548%  kept
          HD3   LYS+ 112 - QG2   THR  118   9.89 +/- 1.13   0.045% *  0.3393% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   THR  118  15.14 +/- 1.93   0.004% *  0.3153% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   THR  118  15.76 +/- 1.74   0.002% *  0.2553% (0.65   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   THR  118  13.65 +/- 0.93   0.005% *  0.0783% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3297 (1.88, 0.24, 20.84 ppm):
    13 chemical-shift based assignments, quality = 0.261, support = 1.63, residual support = 4.44:
        T HB3   ASP- 105 - QG2   THR  118   4.88 +/- 2.64  66.124% * 77.9407% (0.25 10.00   1.64   4.51) =  95.092%  kept
          QB    LYS+ 106 - QG2   THR  118   5.82 +/- 1.86  17.871% * 14.4970% (0.51  1.00   1.50   3.21) =   4.780%  kept
          HB3   PRO   58 - QG2   THR  118  11.19 +/- 1.44   0.855% *  5.5778% (0.62  1.00   0.47   0.02) =   0.088%
          HB    ILE   56 - QG2   THR  118   8.40 +/- 1.33   4.043% *  0.3239% (0.85  1.00   0.02   0.02) =   0.024%
          HG3   PRO   68 - QG2   THR  118  11.30 +/- 3.58  10.250% *  0.0678% (0.18  1.00   0.02   0.02) =   0.013%
          HB2   MET   92 - QG2   THR  118  12.70 +/- 1.03   0.205% *  0.2970% (0.78  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QG2   THR  118  10.80 +/- 2.23   0.325% *  0.0762% (0.20  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   THR  118  15.22 +/- 1.47   0.045% *  0.3304% (0.87  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   THR  118  14.45 +/- 1.03   0.166% *  0.0854% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   THR  118  16.10 +/- 1.76   0.027% *  0.3416% (0.89  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   THR  118  15.44 +/- 1.27   0.043% *  0.1285% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   THR  118  17.02 +/- 1.45   0.028% *  0.1535% (0.40  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   THR  118  18.21 +/- 1.35   0.019% *  0.1801% (0.47  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 8 structures by 1.20 A, kept.
 
    Peak 3298 (2.25, 0.24, 20.84 ppm):
    11 chemical-shift based assignments, quality = 0.654, support = 3.61, residual support = 23.1:
        T HB2   ASP- 105 - QG2   THR  118   4.43 +/- 2.58  35.763% * 64.2748% (0.51 10.00   1.64   4.51) =  50.631%  kept
          HG12  ILE  119 - QG2   THR  118   3.13 +/- 0.66  63.890% * 35.0818% (0.80  1.00   5.64  42.27) =  49.369%  kept
          HB3   PHE   72 - QG2   THR  118  10.00 +/- 1.35   0.175% *  0.0675% (0.44  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QG2   THR  118   8.89 +/- 1.13   0.124% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   THR  118  12.95 +/- 1.42   0.013% *  0.1280% (0.83  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   THR  118  14.41 +/- 1.97   0.018% *  0.0386% (0.25  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   THR  118  15.19 +/- 1.41   0.004% *  0.0785% (0.51  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   THR  118  16.71 +/- 1.86   0.005% *  0.0570% (0.37  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   THR  118  15.04 +/- 2.21   0.004% *  0.0386% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   THR  118  19.35 +/- 1.25   0.001% *  0.1359% (0.88  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   THR  118  16.82 +/- 1.17   0.002% *  0.0473% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3299 (3.70, 0.24, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.388, support = 4.43, residual support = 39.8:
      O T HA    THR  118 - QG2   THR  118   2.74 +/- 0.18  67.516% * 41.5367% (0.34  10.0 10.00   3.89  38.37) =  62.081%  kept
        T HA    ILE  119 - QG2   THR  118   3.26 +/- 0.28  29.418% * 58.2274% (0.47   1.0 10.00   5.33  42.27) =  37.918%  kept
          HA2   GLY  109 - QG2   THR  118   9.62 +/- 2.18   3.010% *  0.0171% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QG2   THR  118   9.64 +/- 1.18   0.048% *  0.0539% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   THR  118  13.97 +/- 1.15   0.005% *  0.0846% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  15.12 +/- 1.60   0.003% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   THR  118  18.84 +/- 0.90   0.001% *  0.0496% (0.40   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 3300 (3.89, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.85, residual support = 38.4:
      O T HB    THR  118 - QG2   THR  118   2.16 +/- 0.01  99.561% * 99.8099% (0.72  10.0 10.00   3.85  38.37) = 100.000%  kept
          HA    PHE   60 - QG2   THR  118   6.47 +/- 1.33   0.434% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR  118  13.52 +/- 1.76   0.002% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  13.55 +/- 1.63   0.002% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  16.69 +/- 1.65   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  18.78 +/- 2.04   0.000% *  0.0311% (0.22   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 3301 (6.83, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 0.962, residual support = 2.81:
          HD2   HIS  122 - QG2   THR  118   3.27 +/- 0.13  99.360% * 96.4252% (0.90   0.96   2.81) =  99.991%  kept
          HE22  GLN  116 - QG2   THR  118   8.76 +/- 0.75   0.310% *  1.9991% (0.89   0.02   0.02) =   0.006%
          QD    PHE   45 - QG2   THR  118   9.05 +/- 1.39   0.324% *  0.7520% (0.34   0.02   0.02) =   0.003%
          HE22  GLN   17 - QG2   THR  118  17.13 +/- 1.63   0.006% *  0.8237% (0.37   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.29 A, kept.
 
    Peak 3302 (7.19, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 3.64, residual support = 11.2:
          QD    PHE   59 - QG2   THR  118   4.34 +/- 1.30  99.371% * 98.4283% (0.85   3.64  11.21) =  99.997%  kept
          HE21  GLN   30 - QG2   THR  118  14.67 +/- 1.68   0.343% *  0.5523% (0.87   0.02   0.02) =   0.002%
          HD1   TRP   27 - QG2   THR  118  15.19 +/- 1.68   0.184% *  0.5414% (0.85   0.02   0.02) =   0.001%
          HH2   TRP   49 - QG2   THR  118  16.44 +/- 1.20   0.102% *  0.4780% (0.75   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 8 structures by 1.03 A, kept.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.33, residual support = 42.3:
        T QG2   THR  118 - HA    ILE  119   3.26 +/- 0.28 100.000% *100.0000% (0.57 10.00   5.33  42.27) = 100.000%  kept
    Distance limit 3.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.491, support = 4.27, residual support = 40.6:
          QB    ALA  120 - HA    ILE  119   5.01 +/- 0.02  48.523% * 59.9640% (0.45   5.00  54.94) =  72.700%  kept
          HD2   LYS+ 121 - HA    ILE  119   5.97 +/- 1.28  28.624% * 38.0032% (0.61   2.34   2.53) =  27.180%  kept
          HG    LEU  115 - HA    ILE  119   7.28 +/- 1.50  14.438% *  0.2398% (0.45   0.02   8.44) =   0.087%
          QD    LYS+  66 - HA    ILE  119   8.74 +/- 2.22   7.507% *  0.1334% (0.25   0.02   0.02) =   0.025%
          HB3   LEU   40 - HA    ILE  119  11.74 +/- 3.13   0.587% *  0.3674% (0.69   0.02   0.02) =   0.005%
          HG2   LYS+  65 - HA    ILE  119  12.31 +/- 1.14   0.246% *  0.3674% (0.69   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HA    ILE  119  16.20 +/- 1.79   0.049% *  0.5161% (0.97   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    ILE  119  17.96 +/- 1.82   0.027% *  0.4087% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 12 structures by 0.85 A, kept.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.944, support = 0.02, residual support = 20.4:
          QD    PHE   59 - HA    ILE  119   5.14 +/- 0.89  99.753% * 25.6201% (0.95   0.02  20.46) =  99.753%  kept
          HE21  GLN   30 - HA    ILE  119  18.08 +/- 2.87   0.147% * 26.1376% (0.97   0.02   0.02) =   0.150%
          HD1   TRP   27 - HA    ILE  119  19.92 +/- 3.11   0.075% * 25.6201% (0.95   0.02   0.02) =   0.075%
          HH2   TRP   49 - HA    ILE  119  21.60 +/- 1.64   0.025% * 22.6222% (0.84   0.02   0.02) =   0.022%
    Distance limit 3.22 A violated in 16 structures by 1.92 A, eliminated.
    Peak unassigned.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.74, residual support = 262.1:
      O   HN    ILE  119 - HA    ILE  119   2.83 +/- 0.03  99.996% * 99.7485% (0.98  10.0   8.74 262.08) = 100.000%  kept
          HN    CYS   21 - HA    ILE  119  18.88 +/- 1.83   0.001% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ILE  119  20.47 +/- 2.14   0.001% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE  119  21.05 +/- 3.02   0.001% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  21.56 +/- 2.90   0.001% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.206, support = 5.79, residual support = 52.2:
      O   HN    ALA  120 - HA    ILE  119   3.62 +/- 0.02  87.196% * 72.4432% (0.18  10.0   6.01  54.94) =  94.995%  kept
          HN    LEU  123 - HA    ILE  119   5.07 +/- 0.34  12.442% * 26.7377% (0.80   1.0   1.61   0.10) =   5.003%  kept
          HN    ALA  124 - HA    ILE  119   9.10 +/- 0.45   0.356% *  0.4055% (0.98   1.0   0.02   0.02) =   0.002%
          HE21  GLN   17 - HA    ILE  119  18.55 +/- 1.78   0.006% *  0.4137% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 2.74, residual support = 14.5:
          HA    GLN  116 - HB    ILE  119   2.69 +/- 0.61  99.973% * 96.8253% (0.84   2.74  14.52) = 100.000%  kept
          HA    VAL   70 - HB    ILE  119  13.79 +/- 2.91   0.013% *  0.7057% (0.84   0.02   0.02) =   0.000%
          HA    VAL   18 - HB    ILE  119  14.99 +/- 1.69   0.007% *  0.3847% (0.46   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB    ILE  119  15.93 +/- 2.05   0.005% *  0.2257% (0.27   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    ILE  119  21.71 +/- 2.93   0.001% *  0.4730% (0.56   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    ILE  119  24.96 +/- 2.73   0.000% *  0.5310% (0.63   0.02   0.02) =   0.000%
          HA    SER   48 - HB    ILE  119  22.10 +/- 1.41   0.001% *  0.1128% (0.13   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    ILE  119  26.73 +/- 2.51   0.000% *  0.4140% (0.49   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    ILE  119  27.99 +/- 2.15   0.000% *  0.3278% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.522, support = 4.98, residual support = 54.4:
          HN    ALA  120 - HB    ILE  119   2.67 +/- 0.15  82.500% * 93.0586% (0.53   5.04  54.94) =  98.758%  kept
          HE21  GLN  116 - HB    ILE  119   4.37 +/- 1.36  16.836% *  5.7267% (0.22   0.75  14.52) =   1.240%  kept
          HN    LEU  123 - HB    ILE  119   6.19 +/- 0.38   0.599% *  0.1880% (0.27   0.02   0.10) =   0.001%
          HN    ALA  124 - HB    ILE  119   9.83 +/- 0.59   0.039% *  0.4878% (0.69   0.02   0.02) =   0.000%
          HN    ALA   57 - HB    ILE  119  10.95 +/- 1.19   0.024% *  0.1205% (0.17   0.02   0.02) =   0.000%
          HE21  GLN   17 - HB    ILE  119  19.39 +/- 2.19   0.001% *  0.4184% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 7.54, residual support = 262.1:
      O   HN    ILE  119 - HB    ILE  119   2.30 +/- 0.19  99.999% * 99.7485% (0.85  10.0   7.54 262.08) = 100.000%  kept
          HN    CYS   21 - HB    ILE  119  20.26 +/- 1.77   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    ILE  119  21.39 +/- 1.58   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  23.61 +/- 2.87   0.000% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  23.95 +/- 2.65   0.000% *  0.0157% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 54.9:
          HA    ALA  120 - QG2   ILE  119   3.41 +/- 0.35  97.465% * 94.9060% (0.57   3.85  54.94) =  99.992%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.60 +/- 0.17   2.041% *  0.1724% (0.20   0.02   2.53) =   0.004%
          HA    LYS+  65 - QG2   ILE  119   9.24 +/- 1.30   0.344% *  0.8241% (0.95   0.02   0.02) =   0.003%
          HA2   GLY   16 - QG2   ILE  119  12.45 +/- 1.65   0.055% *  0.7813% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   ILE  119  15.67 +/- 1.21   0.018% *  0.6658% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - QG2   ILE  119  12.85 +/- 1.45   0.046% *  0.2172% (0.25   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   ILE  119  17.89 +/- 1.19   0.007% *  0.2972% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   ILE  119  16.50 +/- 1.39   0.014% *  0.1344% (0.15   0.02   0.02) =   0.000%
          QB    SER   85 - QG2   ILE  119  20.84 +/- 1.47   0.002% *  0.7813% (0.90   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   ILE  119  18.63 +/- 1.40   0.005% *  0.2689% (0.31   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   ILE  119  21.01 +/- 2.75   0.002% *  0.4932% (0.57   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   ILE  119  21.11 +/- 1.41   0.002% *  0.4583% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.592, support = 5.49, residual support = 52.4:
          HN    ALA  120 - QG2   ILE  119   3.22 +/- 0.33  62.536% * 78.7546% (0.61   5.63  54.94) =  95.425%  kept
          HN    LEU  123 - QG2   ILE  119   4.46 +/- 0.37  10.897% * 19.5862% (0.31   2.75   0.10) =   4.135%  kept
          HE21  GLN  116 - QG2   ILE  119   4.38 +/- 1.38  25.331% *  0.8823% (0.25   0.15  14.52) =   0.433%
          HN    ALA  124 - QG2   ILE  119   6.99 +/- 0.63   0.736% *  0.3691% (0.80   0.02   0.02) =   0.005%
          HN    ALA   57 - QG2   ILE  119   9.28 +/- 1.29   0.489% *  0.0912% (0.20   0.02   0.02) =   0.001%
          HE21  GLN   17 - QG2   ILE  119  14.78 +/- 1.97   0.011% *  0.3166% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3313 (7.91, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.87, residual support = 262.1:
          HN    ILE  119 - QG2   ILE  119   3.64 +/- 0.07  99.969% * 99.2744% (0.80   7.87 262.08) = 100.000%  kept
          HN    SER   37 - QG2   ILE  119  18.74 +/- 2.86   0.008% *  0.3143% (1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - QG2   ILE  119  18.61 +/- 1.47   0.006% *  0.3039% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - QG2   ILE  119  16.22 +/- 1.75   0.017% *  0.1074% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.842, support = 2.05, residual support = 7.28:
          QD2   LEU  115 - HG12  ILE  119   3.20 +/- 0.88  70.036% * 66.5367% (0.90   2.14   8.44) =  83.363%  kept
          QD1   LEU   63 - HG12  ILE  119   4.18 +/- 1.57  29.876% * 31.1275% (0.57   1.59   1.47) =  16.636%  kept
          QD1   LEU  104 - HG12  ILE  119  11.97 +/- 2.79   0.048% *  0.6932% (1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG12  ILE  119  13.60 +/- 1.90   0.018% *  0.3925% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG12  ILE  119  16.93 +/- 1.64   0.004% *  0.6399% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG12  ILE  119  17.69 +/- 1.97   0.005% *  0.5034% (0.73   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG12  ILE  119  13.96 +/- 1.27   0.014% *  0.1070% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.76, support = 1.86, residual support = 5.55:
          QD2   LEU  115 - HG13  ILE  119   3.83 +/- 0.94  35.641% * 70.0570% (0.90   2.20   8.44) =  58.552%  kept
          QD1   LEU   63 - HG13  ILE  119   3.73 +/- 1.74  64.156% * 27.5487% (0.57   1.37   1.47) =  41.445%  kept
          QD1   LEU  104 - HG13  ILE  119  12.00 +/- 2.93   0.120% *  0.7106% (1.00   0.02   0.02) =   0.002%
          QD1   LEU   73 - HG13  ILE  119  13.18 +/- 2.10   0.042% *  0.4023% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG13  ILE  119  16.78 +/- 1.83   0.009% *  0.6559% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG13  ILE  119  17.67 +/- 2.28   0.010% *  0.5160% (0.73   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG13  ILE  119  14.32 +/- 1.31   0.022% *  0.1096% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3316 (0.17, 1.12, 30.83 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - HG13  ILE  119   7.89 +/- 2.38 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.56 A violated in 20 structures by 4.32 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.28, residual support = 20.5:
          QD    PHE   59 - HG13  ILE  119   3.42 +/- 0.93  99.957% * 98.2582% (0.95   3.28  20.46) = 100.000%  kept
          HE21  GLN   30 - HG13  ILE  119  17.88 +/- 2.71   0.025% *  0.6121% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG13  ILE  119  19.50 +/- 2.96   0.013% *  0.5999% (0.95   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG13  ILE  119  19.67 +/- 1.74   0.005% *  0.5297% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 2 structures by 0.29 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.38, residual support = 262.1:
          HN    ILE  119 - HG13  ILE  119   3.43 +/- 0.58  99.982% * 99.2258% (0.80   7.38 262.08) = 100.000%  kept
          HN    ILE   89 - HG13  ILE  119  19.72 +/- 1.80   0.005% *  0.3243% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - HG13  ILE  119  17.75 +/- 1.91   0.010% *  0.1146% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE  119  21.80 +/- 2.74   0.003% *  0.3353% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 3.81, residual support = 20.5:
          QD    PHE   59 - HG12  ILE  119   3.14 +/- 0.53  99.988% * 98.9868% (0.84   3.81  20.46) = 100.000%  kept
          HE21  GLN   30 - HG12  ILE  119  18.57 +/- 2.43   0.006% *  0.3025% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG12  ILE  119  19.79 +/- 2.47   0.003% *  0.5190% (0.84   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG12  ILE  119  19.08 +/- 1.78   0.003% *  0.1918% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.94, residual support = 262.1:
          HN    ILE  119 - HG12  ILE  119   2.53 +/- 0.35  99.998% * 99.2803% (0.80   7.94 262.08) = 100.000%  kept
          HN    ILE   89 - HG12  ILE  119  19.24 +/- 1.77   0.001% *  0.3014% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE  119  18.33 +/- 1.53   0.001% *  0.1065% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE  119  22.45 +/- 2.29   0.000% *  0.3117% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 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   7.48 +/- 2.14 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.04 A violated in 20 structures by 4.44 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.291, support = 3.26, residual support = 5.47:
          QD2   LEU  115 - QD1   ILE  119   2.41 +/- 0.79  62.454% * 42.6066% (0.40  1.00   4.57   8.44) =  57.387%  kept
        T QD1   LEU   63 - QD1   ILE  119   3.41 +/- 1.56  37.517% * 52.6649% (0.15 10.00   1.50   1.47) =  42.612%  kept
        T QD1   LEU  104 - QD1   ILE  119  11.23 +/- 2.33   0.009% *  3.1158% (0.66 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QD1   ILE  119  11.59 +/- 1.79   0.009% *  0.6999% (0.15 10.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD1   ILE  119  11.93 +/- 1.05   0.007% *  0.2568% (0.55  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   ILE  119  15.12 +/- 1.73   0.002% *  0.4526% (0.96  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   ILE  119  14.22 +/- 1.40   0.002% *  0.2034% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.93, residual support = 14.5:
        T HA    GLN  116 - QD1   ILE  119   3.11 +/- 0.76  99.474% * 99.4587% (0.51 10.00   3.93  14.52) = 100.000%  kept
          HA    VAL   70 - QD1   ILE  119  11.23 +/- 2.38   0.228% *  0.0995% (0.51  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QD1   ILE  119  12.03 +/- 1.84   0.113% *  0.1514% (0.77  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QD1   ILE  119  10.66 +/- 1.39   0.173% *  0.0256% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QD1   ILE  119  17.79 +/- 2.33   0.007% *  0.1886% (0.96  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD1   ILE  119  20.05 +/- 2.20   0.003% *  0.0471% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  21.09 +/- 2.06   0.002% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 2 structures by 0.27 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.84, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119   7.51 +/- 2.69  54.741% * 81.6578% (0.96 10.00   0.02   0.02) =  84.337%  kept
        T QD    PHE   72 - QD1   ILE  119   7.55 +/- 1.84  45.259% * 18.3422% (0.21 10.00   0.02   0.02) =  15.663%  kept
    Distance limit 3.26 A violated in 17 structures by 3.28 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.517, support = 0.02, residual support = 0.02:
          QD    PHE   95 - QD1   ILE  119   5.22 +/- 1.87  71.515% * 23.3518% (0.47   0.02   0.02) =  66.268%  kept
          QE    PHE   72 - QD1   ILE  119   6.52 +/- 2.27  27.336% * 29.0981% (0.59   0.02   0.02) =  31.563%  kept
          HN    ALA   47 - QD1   ILE  119  12.53 +/- 0.92   1.150% * 47.5501% (0.96   0.02   0.02) =   2.169%  kept
    Distance limit 3.31 A violated in 13 structures by 1.57 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 1.39, residual support = 13.9:
          HN    HIS  122 - QD1   ILE  119   6.32 +/- 0.43  13.813% * 98.0335% (0.87   1.43  13.71) =  96.786%  kept
          HN    PHE   59 - QD1   ILE  119   4.43 +/- 0.74  86.128% *  0.5212% (0.33   0.02  20.46) =   3.208%  kept
          HH2   TRP   87 - QD1   ILE  119  16.59 +/- 2.27   0.059% *  1.4453% (0.91   0.02   0.02) =   0.006%
    Distance limit 3.46 A violated in 8 structures by 0.79 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.95, residual support = 262.1:
          HN    ILE  119 - QD1   ILE  119   3.63 +/- 0.25  99.947% * 99.2800% (0.95   6.95 262.08) = 100.000%  kept
          HN    CYS   21 - QD1   ILE  119  14.96 +/- 1.39   0.027% *  0.2433% (0.81   0.02   0.02) =   0.000%
          HN    ILE   89 - QD1   ILE  119  16.68 +/- 1.33   0.013% *  0.2433% (0.81   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE  119  19.32 +/- 2.28   0.006% *  0.1884% (0.62   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE  119  19.06 +/- 2.15   0.007% *  0.0449% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.22, residual support = 24.9:
        T QD1   LEU  123 - HA    ALA  120   2.40 +/- 0.57  98.832% * 99.1996% (0.45 10.00   5.22  24.86) =  99.998%  kept
          HB3   LEU   63 - HA    ALA  120   8.81 +/- 2.61   0.479% *  0.2169% (0.98  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - HA    ALA  120   8.95 +/- 3.48   0.645% *  0.1520% (0.69  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HA    ALA  120  15.01 +/- 1.80   0.024% *  0.1164% (0.53  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    ALA  120  14.35 +/- 1.61   0.005% *  0.1772% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    ALA  120  13.71 +/- 3.97   0.011% *  0.0388% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    ALA  120  15.65 +/- 3.01   0.004% *  0.0992% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.482, support = 3.6, residual support = 19.5:
      O   HN    ALA  120 - HA    ALA  120   2.79 +/- 0.05  45.793% * 54.5998% (0.18  10.0   3.61  14.38) =  50.962%  kept
          HN    LEU  123 - HA    ALA  120   2.71 +/- 0.12  53.720% * 44.7828% (0.80   1.0   3.59  24.86) =  49.035%  kept
          HN    ALA  124 - HA    ALA  120   5.97 +/- 0.33   0.486% *  0.3056% (0.98   1.0   0.02   0.02) =   0.003%
          HE21  GLN   17 - HA    ALA  120  21.12 +/- 2.89   0.000% *  0.3118% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 6.29, residual support = 314.8:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.76 +/- 0.01  99.996% * 99.7700% (0.45  10.0   6.29 314.80) = 100.000%  kept
          HZ2   TRP   49 - HA    LYS+ 121  25.57 +/- 1.38   0.000% *  0.2105% (0.95   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 121 - HA    LYS+  65  15.24 +/- 1.06   0.004% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HA    LYS+  65  24.82 +/- 0.87   0.000% *  0.0132% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 0.873, support = 2.61, residual support = 8.2:
          HA    THR  118 - HB2   LYS+ 121   2.38 +/- 0.50  96.727% * 33.9506% (0.87   2.50   8.56) =  93.985%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.72 +/- 0.15   3.220% * 65.2572% (0.97   4.32   2.53) =   6.015%  kept
          HA2   GLY  109 - HB2   LYS+ 121  14.72 +/- 2.73   0.052% *  0.1772% (0.57   0.02   0.02) =   0.000%
          HA    ALA   84 - HB2   LYS+ 121  22.34 +/- 2.32   0.000% *  0.2392% (0.76   0.02   0.02) =   0.000%
          HA    VAL   75 - HB2   LYS+ 121  20.94 +/- 1.85   0.000% *  0.0870% (0.28   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB2   LYS+ 121  27.01 +/- 1.25   0.000% *  0.2889% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.64, residual support = 8.49:
        T HA    THR  118 - HB3   LYS+ 121   3.62 +/- 0.30  93.918% * 83.0633% (0.72 10.00   2.63   8.56) =  98.730%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.87 +/- 0.29   6.012% * 16.6943% (0.81  1.00   3.61   2.53) =   1.270%  kept
          HA2   GLY  109 - HB3   LYS+ 121  15.68 +/- 2.86   0.065% *  0.0542% (0.47  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   LYS+ 121  22.71 +/- 2.57   0.002% *  0.0732% (0.64  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  21.46 +/- 2.10   0.003% *  0.0266% (0.23  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB3   LYS+ 121  28.10 +/- 1.06   0.000% *  0.0884% (0.77  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.29, residual support = 314.8:
      O   HN    LYS+ 121 - HB3   LYS+ 121   3.18 +/- 0.32  99.999% * 99.9582% (0.75  10.0   6.29 314.80) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  24.12 +/- 1.23   0.001% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.31, residual support = 49.7:
          HN    HIS  122 - HB3   LYS+ 121   3.83 +/- 0.34  99.944% * 99.5474% (0.75   6.31  49.70) = 100.000%  kept
          HN    PHE   59 - HB3   LYS+ 121  14.37 +/- 0.91   0.045% *  0.1199% (0.28   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   LYS+ 121  18.84 +/- 3.72   0.011% *  0.3326% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.35, residual support = 49.7:
          HN    HIS  122 - HB2   LYS+ 121   3.40 +/- 0.14  99.449% * 99.2327% (0.41   7.35  49.70) =  99.999%  kept
          QD    PHE   59 - HB2   LYS+ 121   8.34 +/- 0.78   0.543% *  0.2239% (0.34   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB2   LYS+ 121  19.05 +/- 3.43   0.005% *  0.3195% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 121  21.44 +/- 2.94   0.002% *  0.2239% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 6.82, residual support = 314.8:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.12 +/- 0.17 100.000% * 99.9061% (0.92  10.0   6.82 314.80) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  23.07 +/- 1.39   0.000% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.373, support = 1.58, residual support = 7.45:
          QG2   ILE  119 - HB2   HIS  122   5.05 +/- 1.08  24.556% * 57.5669% (0.53   1.50  13.71) =  45.477%  kept
          QD1   LEU   40 - HB2   HIS  122   6.07 +/- 4.33  45.694% * 28.8390% (0.20   2.00   2.87) =  42.393%  kept
          QD2   LEU   67 - HB2   HIS  122   7.05 +/- 3.54  29.609% * 12.7327% (0.41   0.42   0.02) =  12.128%  kept
          QD2   LEU   71 - HB2   HIS  122  11.43 +/- 3.15   0.110% *  0.3638% (0.25   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   HIS  122  13.73 +/- 3.24   0.031% *  0.4976% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.541, support = 0.0199, residual support = 0.0199:
          QD1   LEU  104 - HB2   HIS  122   8.98 +/- 5.00  37.507% * 20.0916% (0.69   0.02   0.02) =  67.242%  kept
          QD1   LEU   63 - HB2   HIS  122   6.82 +/- 2.00  49.871% *  4.5130% (0.15   0.02   0.02) =  20.083%  kept
          QD2   LEU  115 - HB2   HIS  122   9.07 +/- 1.03  10.718% * 12.0248% (0.41   0.02   0.02) =  11.500%  kept
          QD1   LEU   73 - HB2   HIS  122  12.90 +/- 3.30   1.587% *  4.5130% (0.15   0.02   0.02) =   0.639%  kept
          QG1   VAL   83 - HB2   HIS  122  18.84 +/- 2.86   0.088% * 29.1845% (1.00   0.02   0.02) =   0.230%
          QG2   ILE   89 - HB2   HIS  122  17.32 +/- 1.49   0.126% * 16.5597% (0.57   0.02   0.02) =   0.186%
          QD2   LEU   80 - HB2   HIS  122  18.32 +/- 2.43   0.102% * 13.1134% (0.45   0.02   0.02) =   0.120%
    Distance limit 4.02 A violated in 14 structures by 1.43 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.9, residual support = 72.3:
      O   HD2   HIS  122 - HB2   HIS  122   3.59 +/- 0.47  99.822% * 99.8219% (1.00  10.0   3.90  72.26) = 100.000%  kept
          HE22  GLN  116 - HB2   HIS  122  11.36 +/- 1.68   0.139% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB2   HIS  122  15.19 +/- 2.19   0.033% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   HIS  122  19.59 +/- 2.12   0.006% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 5.86, residual support = 72.3:
      O   HN    HIS  122 - HB2   HIS  122   3.29 +/- 0.62  99.602% * 99.7165% (0.41  10.0   5.86  72.26) = 100.000%  kept
          QD    PHE   59 - HB2   HIS  122   9.05 +/- 1.71   0.379% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   HIS  122  18.89 +/- 4.63   0.011% *  0.1181% (0.49   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   HIS  122  19.65 +/- 4.34   0.008% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 3.9, residual support = 72.3:
      O   HD2   HIS  122 - HB3   HIS  122   3.05 +/- 0.47  99.894% * 99.8219% (1.00  10.0   3.90  72.26) = 100.000%  kept
          HE22  GLN  116 - HB3   HIS  122  10.73 +/- 1.78   0.094% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB3   HIS  122  15.03 +/- 2.75   0.009% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   HIS  122  19.59 +/- 2.10   0.002% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3345 (7.23, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 5.86, residual support = 72.3:
      O   HN    HIS  122 - HB3   HIS  122   2.86 +/- 0.41  99.958% * 99.8567% (0.90  10.0   5.86  72.26) = 100.000%  kept
          HN    PHE   59 - HB3   HIS  122  12.22 +/- 1.50   0.039% *  0.0380% (0.34   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   HIS  122  19.24 +/- 5.04   0.003% *  0.1053% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3346 (0.94, 2.76, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.325, support = 0.945, residual support = 6.63:
        T QD1   LEU   40 - HB3   HIS  122   6.81 +/- 4.37  37.411% * 59.0903% (0.20 10.00   0.69   2.87) =  59.704%  kept
          QG2   ILE  119 - HB3   HIS  122   4.48 +/- 0.66  40.312% * 32.9105% (0.53  1.00   1.44  13.71) =  35.830%  kept
          QD2   LEU   67 - HB3   HIS  122   7.40 +/- 3.50  22.081% *  7.4863% (0.41  1.00   0.42   0.02) =   4.464%  kept
          QD2   LEU   71 - HB3   HIS  122  12.05 +/- 3.08   0.132% *  0.2166% (0.25  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB3   HIS  122  13.86 +/- 3.73   0.064% *  0.2963% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 3.54 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 = 0.68, support = 3.12, residual support = 24.7:
          HA    ALA  120 - HG    LEU  123   2.75 +/- 1.00  95.859% * 84.0769% (0.68  1.00   3.13  24.86) =  99.429%  kept
          HA    LYS+ 121 - HG    LEU  123   6.51 +/- 0.73   3.931% * 11.7507% (0.47  1.00   0.63   2.26) =   0.570%  kept
          QB    SER  117 - HG    LEU  123   9.15 +/- 1.00   0.151% *  0.1848% (0.23  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG    LEU  123  13.13 +/- 2.03   0.040% *  0.4525% (0.57  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG    LEU  123  16.70 +/- 2.54   0.013% *  0.4859% (0.62  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG    LEU  123  23.32 +/- 2.21   0.001% *  1.3508% (0.17 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG    LEU  123  19.38 +/- 1.55   0.002% *  0.4140% (0.52  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG    LEU  123  24.25 +/- 2.57   0.001% *  0.3286% (0.42  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG    LEU  123  25.48 +/- 1.69   0.001% *  0.4699% (0.60  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG    LEU  123  28.12 +/- 1.73   0.000% *  0.4859% (0.62  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.82, residual support = 202.3:
          HN    LEU  123 - HG    LEU  123   3.40 +/- 0.37  99.996% * 99.5549% (0.36   5.82 202.29) = 100.000%  kept
          HE21  GLN   17 - HG    LEU  123  20.42 +/- 2.86   0.003% *  0.1286% (0.14   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HG    LEU  123  25.42 +/- 2.24   0.001% *  0.3164% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.13, residual support = 24.9:
          HA    ALA  120 - HB3   LEU  123   3.20 +/- 0.76  97.880% * 96.1916% (0.99   3.13  24.86) =  99.991%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.38 +/- 0.80   1.900% *  0.4257% (0.69   0.02   2.26) =   0.009%
          QB    SER  117 - HB3   LEU  123   9.74 +/- 0.76   0.160% *  0.2114% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   LEU  123  13.83 +/- 2.68   0.042% *  0.5177% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LEU  123  17.32 +/- 3.28   0.013% *  0.5559% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LEU  123  20.40 +/- 1.76   0.002% *  0.4737% (0.76   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LEU  123  25.45 +/- 2.12   0.001% *  0.3759% (0.61   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LEU  123  26.55 +/- 1.64   0.000% *  0.5376% (0.87   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LEU  123  28.92 +/- 2.06   0.000% *  0.5559% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   LEU  123  24.51 +/- 1.67   0.001% *  0.1545% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3350 (7.46, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.926, support = 5.65, residual support = 177.5:
      O   HN    LEU  123 - HB3   LEU  123   3.15 +/- 0.64  46.606% * 88.3643% (0.98  10.0   5.82 202.29) =  86.953%  kept
          HN    ALA  124 - HB3   LEU  123   3.36 +/- 0.57  53.393% * 11.5738% (0.57   1.0   4.54  12.18) =  13.047%  kept
          HE21  GLN   17 - HB3   LEU  123  21.21 +/- 3.59   0.001% *  0.0619% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 3.13, residual support = 24.9:
          HA    ALA  120 - HB2   LEU  123   2.45 +/- 0.62  99.025% * 88.6632% (0.99  1.00   3.13  24.86) =  99.959%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.64 +/- 0.73   0.884% *  3.9243% (0.69 10.00   0.02   2.26) =   0.039%
        T HA    LYS+  65 - HB2   LEU  123  13.77 +/- 2.51   0.022% *  4.7718% (0.84 10.00   0.02   0.02) =   0.001%
          QB    SER  117 - HB2   LEU  123   9.01 +/- 0.64   0.061% *  0.1949% (0.34  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU  123  17.29 +/- 3.10   0.007% *  0.5124% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU  123  19.69 +/- 1.56   0.001% *  0.4366% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU  123  26.08 +/- 1.21   0.000% *  0.4956% (0.87  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU  123  25.03 +/- 2.00   0.000% *  0.3465% (0.61  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU  123  28.31 +/- 2.04   0.000% *  0.5124% (0.90  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   LEU  123  23.99 +/- 1.72   0.000% *  0.1425% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 0.971, support = 6.11, residual support = 198.0:
      O   HN    LEU  123 - HB2   LEU  123   2.56 +/- 0.47  83.998% * 89.2043% (0.98  10.0   6.15 202.29) =  97.759%  kept
          HN    ALA  124 - HB2   LEU  123   3.93 +/- 0.42  16.002% * 10.7332% (0.57   1.0   4.17  12.18) =   2.241%  kept
          HE21  GLN   17 - HB2   LEU  123  21.12 +/- 3.46   0.001% *  0.0625% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 5.22, residual support = 24.9:
        T HA    ALA  120 - QD1   LEU  123   2.40 +/- 0.57  98.066% * 98.4994% (0.57 10.00   5.22  24.86) =  99.999%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.43 +/- 0.63   1.884% *  0.0344% (0.20  1.00   0.02   2.26) =   0.001%
          HA    LYS+  65 - QD1   LEU  123  10.27 +/- 1.54   0.036% *  0.1646% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  123  13.33 +/- 1.87   0.008% *  0.1560% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QD1   LEU  123  21.93 +/- 1.69   0.000% *  0.5370% (0.31 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD1   LEU  123  19.00 +/- 1.71   0.001% *  0.1330% (0.76  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  15.79 +/- 1.47   0.002% *  0.0434% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD1   LEU  123  21.99 +/- 3.20   0.001% *  0.0985% (0.57  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  123  23.17 +/- 1.53   0.000% *  0.1560% (0.90  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  123  20.82 +/- 1.46   0.000% *  0.0593% (0.34  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  19.78 +/- 1.99   0.001% *  0.0268% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  23.72 +/- 1.56   0.000% *  0.0915% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3354 (7.46, 1.35, 20.20 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 1.81, residual support = 9.22:
      O   HN    ALA  124 - QB    ALA  124   2.38 +/- 0.35  98.259% * 99.6753% (0.57  10.0   1.81   9.22) =  99.997%  kept
          HN    LEU  123 - QB    ALA  124   5.38 +/- 0.49   1.741% *  0.1909% (0.98   1.0   0.02  12.18) =   0.003%
          HE21  GLN   17 - QB    ALA  124  19.66 +/- 3.01   0.001% *  0.1338% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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   2.57 +/- 0.29  98.704% * 99.7391% (0.98  10.0   1.81   9.22) =  99.999%  kept
          HN    LEU  123 - HA    ALA  124   5.77 +/- 0.41   1.247% *  0.0901% (0.80   1.0   0.02  12.18) =   0.001%
          HN    ALA  120 - HA    ALA  124   9.92 +/- 0.55   0.044% *  0.0197% (0.18   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA  124  23.17 +/- 3.50   0.000% *  0.1126% (1.00   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   34  17.58 +/- 1.97   0.002% *  0.0130% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  20.14 +/- 6.15   0.002% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  19.08 +/- 4.54   0.001% *  0.0104% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  20.94 +/- 3.00   0.001% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.949, support = 4.46, residual support = 45.7:
      O   HN    ALA  124 - HA    LEU  123   2.29 +/- 0.01  79.143% * 55.0021% (0.98  10.0   4.07  12.18) =  82.362%  kept
      O   HN    LEU  123 - HA    LEU  123   2.86 +/- 0.05  20.746% * 44.9320% (0.80  10.0   6.26 202.29) =  17.637%  kept
          HN    ALA  120 - HA    LEU  123   6.88 +/- 0.25   0.111% *  0.0098% (0.18   1.0   0.02  24.86) =   0.000%
          HE21  GLN   17 - HA    LEU  123  20.13 +/- 3.11   0.000% *  0.0561% (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 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  15.55 +/- 5.44 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.24 A violated in 20 structures by 12.31 A, eliminated.
    Peak unassigned.
 
    Peak 3358 (8.63, 4.60, 54.68 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.97, residual support = 22.4:
      O   HN    ILE  103 - HA    LYS+ 102   2.31 +/- 0.11  99.999% * 99.7350% (0.69  10.0   5.97  22.38) = 100.000%  kept
          HN    GLN   90 - HA    LYS+ 102  18.78 +/- 2.12   0.000% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  19.34 +/- 1.82   0.000% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.46 +/- 0.69   0.000% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  22.52 +/- 1.94   0.000% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3359 (9.88, 4.95, 63.38 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 3.16, residual support = 14.9:
      O   HN    PHE   95 - HA    THR   94   2.41 +/- 0.11 100.000% *100.0000% (0.73  10.0   3.16  14.88) = 100.000%  kept
    Distance limit 2.42 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3360 (8.08, 1.41, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.05, residual support = 78.3:
      O   HN    LEU   80 - HB2   LEU   80   2.48 +/- 0.43  99.990% * 99.7811% (1.00  10.0   6.05  78.25) = 100.000%  kept
          HN    ALA   34 - HB2   LEU   80  16.55 +/- 0.71   0.002% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   80  15.84 +/- 1.56   0.002% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   LEU   80  14.71 +/- 0.76   0.005% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.24, residual support = 78.3:
      O   HN    LEU   80 - HB3   LEU   80   3.35 +/- 0.35  99.964% * 99.7811% (1.00  10.0   6.24  78.25) = 100.000%  kept
          HN    ALA   34 - HB3   LEU   80  16.43 +/- 0.75   0.008% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   80  16.57 +/- 1.15   0.008% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   LEU   80  14.46 +/- 0.77   0.019% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.78, residual support = 78.2:
      O   HA    LEU   80 - HB3   LEU   80   2.61 +/- 0.20  97.072% * 99.6901% (0.98  10.0   4.78  78.25) =  99.997%  kept
          HA    THR   23 - HB3   LEU   80   5.46 +/- 0.68   1.904% *  0.0912% (0.90   1.0   0.02   6.02) =   0.002%
          HB    THR   23 - HB3   LEU   80   6.53 +/- 1.35   0.867% *  0.0912% (0.90   1.0   0.02   6.02) =   0.001%
          HA    ASP-  78 - HB3   LEU   80   8.04 +/- 0.47   0.157% *  0.0617% (0.61   1.0   0.02   2.52) =   0.000%
          HA    ASP- 105 - HB3   LEU   80  19.43 +/- 1.34   0.001% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 3.81, residual support = 78.3:
      O   QD2   LEU   80 - HB3   LEU   80   2.44 +/- 0.23  76.843% * 77.3053% (0.57  10.0  1.00   3.72  78.25) =  93.297%  kept
      O   QD1   LEU   80 - HB3   LEU   80   3.06 +/- 0.26  23.093% * 18.4793% (0.14  10.0  1.00   5.12  78.25) =   6.702%  kept
        T QD1   LEU   73 - HB3   LEU   80   9.20 +/- 0.57   0.030% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HB3   LEU   80  15.93 +/- 1.74   0.001% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   63 - HB3   LEU   80  17.17 +/- 1.75   0.001% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   80  10.96 +/- 0.94   0.012% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   80  10.37 +/- 1.45   0.018% *  0.0185% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   80  17.63 +/- 1.11   0.001% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   80  17.44 +/- 2.25   0.001% *  0.0828% (0.61   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 3365 (4.81, 1.44, 26.98 ppm):
    20 chemical-shift based assignments, quality = 0.633, support = 4.36, residual support = 76.9:
      O   HA    LEU   80 - HG    LEU   80   3.25 +/- 0.50  68.340% * 93.9701% (0.63  10.0   4.42  78.25) =  98.122%  kept
          HA    THR   23 - HG    LEU   80   4.26 +/- 1.17  23.290% *  5.2486% (0.58   1.0   1.22   6.02) =   1.868%  kept
          HB    THR   23 - HG    LEU   80   5.49 +/- 1.43   7.472% *  0.0860% (0.58   1.0   0.02   6.02) =   0.010%
          HA    ASP-  78 - HG    LEU   80   8.64 +/- 0.83   0.342% *  0.0581% (0.39   1.0   0.02   2.52) =   0.000%
          HA    ASP- 105 - HG    LEU   40   9.63 +/- 1.16   0.175% *  0.0467% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   73  10.33 +/- 1.37   0.226% *  0.0341% (0.23   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   73  12.27 +/- 1.26   0.057% *  0.0341% (0.23   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG12  ILE   19  12.60 +/- 0.55   0.029% *  0.0293% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   73  13.47 +/- 0.78   0.021% *  0.0373% (0.25   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG12  ILE   19  14.01 +/- 0.81   0.015% *  0.0293% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  15.25 +/- 1.48   0.010% *  0.0246% (0.17   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   40  18.53 +/- 1.53   0.003% *  0.0647% (0.44   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   80  19.64 +/- 1.58   0.003% *  0.0620% (0.42   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG12  ILE   19  17.11 +/- 1.08   0.005% *  0.0320% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   40  20.47 +/- 1.33   0.002% *  0.0707% (0.48   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   40  20.54 +/- 1.45   0.002% *  0.0647% (0.44   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  17.46 +/- 0.46   0.004% *  0.0231% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  19.75 +/- 1.30   0.002% *  0.0198% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  20.95 +/- 2.49   0.002% *  0.0211% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  24.01 +/- 0.81   0.001% *  0.0438% (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 3367 (8.96, 1.44, 26.98 ppm):
    16 chemical-shift based assignments, quality = 0.186, support = 5.39, residual support = 155.6:
          HN    LEU   73 - HG    LEU   73   3.18 +/- 0.81  46.371% * 47.0988% (0.20   5.70 171.48) =  83.030%  kept
          HN    ILE   19 - HG12  ILE   19   3.29 +/- 0.81  34.846% *  7.6947% (0.03   5.38 128.78) =  10.194%  kept
          HN    VAL   42 - HG    LEU   40   5.10 +/- 1.06   2.665% * 36.3104% (0.37   2.32   1.24) =   3.678%  kept
          HN    VAL   42 - HG    LEU   73   4.05 +/- 1.07  13.220% *  6.1516% (0.20   0.74   1.55) =   3.092%  kept
          HN    ILE   19 - HG    LEU   73   6.19 +/- 1.14   2.326% *  0.0334% (0.04   0.02   4.00) =   0.003%
          HN    LEU   73 - HG12  ILE   19   7.30 +/- 1.81   0.422% *  0.1418% (0.17   0.02   4.00) =   0.002%
          HN    LEU   73 - HG    LEU   40   8.92 +/- 0.83   0.049% *  0.3135% (0.37   0.02   0.02) =   0.001%
          HN    VAL   42 - HG12  ILE   19   9.99 +/- 2.31   0.049% *  0.1418% (0.17   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  10.72 +/- 1.00   0.020% *  0.3426% (0.41   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  11.48 +/- 0.71   0.012% *  0.4166% (0.49   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  13.29 +/- 1.09   0.006% *  0.4166% (0.49   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  13.15 +/- 1.09   0.005% *  0.0841% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  15.25 +/- 1.46   0.002% *  0.1807% (0.21   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  12.70 +/- 1.10   0.006% *  0.0633% (0.08   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  18.97 +/- 1.48   0.001% *  0.4553% (0.54   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  20.67 +/- 2.38   0.000% *  0.1550% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 5.88, residual support = 173.0:
      O T HA    LYS+  99 - HB3   LYS+  99   2.65 +/- 0.26  94.733% * 97.7927% (0.76  10.0 10.00   5.88 173.01) =  99.995%  kept
          HA    LEU   40 - HB3   LYS+  99   4.47 +/- 0.58   5.202% *  0.0828% (0.65   1.0  1.00   0.02  11.46) =   0.005%
          HA    ASN   35 - HB3   LYS+  99  10.10 +/- 1.05   0.051% *  0.1148% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LYS+  99  15.31 +/- 5.71   0.011% *  0.1254% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HB3   LYS+  99  21.88 +/- 1.34   0.000% *  1.1812% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP- 113 - HB3   LYS+  99  21.42 +/- 1.65   0.000% *  0.5261% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LYS+  99  19.18 +/- 1.70   0.001% *  0.0574% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  21.75 +/- 1.21   0.000% *  0.0623% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LYS+  99  23.75 +/- 2.72   0.000% *  0.0574% (0.45   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 3373 (8.35, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 3.82, residual support = 173.0:
      O   HN    LYS+  99 - HB3   LYS+  99   3.08 +/- 0.26  94.944% * 99.4797% (0.31  10.0   3.82 173.01) =  99.996%  kept
          HE1   HIS  122 - HB3   LYS+  99  10.38 +/- 5.46   5.001% *  0.0804% (0.25   1.0   0.02   0.02) =   0.004%
          HN    ASN   35 - HB3   LYS+  99  11.38 +/- 1.04   0.054% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB3   LYS+  99  25.72 +/- 3.00   0.000% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   LYS+  99  22.38 +/- 2.34   0.001% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3375 (0.62, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 1.49, residual support = 16.7:
        T QD1   LEU  104 - HB3   LYS+  99   2.53 +/- 0.57  99.983% * 96.9463% (0.41 10.00   1.49  16.68) = 100.000%  kept
        T QG2   ILE   89 - HB3   LYS+  99  16.25 +/- 0.87   0.003% *  2.6457% (0.84 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LYS+  99  14.95 +/- 1.05   0.006% *  0.2748% (0.87  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LYS+  99  14.58 +/- 2.23   0.005% *  0.0627% (0.20  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LYS+  99  15.84 +/- 0.97   0.003% *  0.0705% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.86, residual support = 11.5:
        T QD2   LEU   40 - HB3   LYS+  99   2.82 +/- 0.74  98.830% * 99.5779% (0.76 10.00   1.86  11.46) =  99.999%  kept
          QG2   ILE  103 - HB3   LYS+  99   7.03 +/- 0.47   0.980% *  0.0849% (0.61  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HB3   LYS+  99  11.29 +/- 2.52   0.168% *  0.1017% (0.73  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB3   LYS+  99  16.64 +/- 0.91   0.005% *  0.1324% (0.95  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LYS+  99  14.11 +/- 2.43   0.016% *  0.0349% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LYS+  99  20.34 +/- 0.91   0.001% *  0.0681% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.54, residual support = 173.0:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.69 +/- 0.22  99.915% * 99.4593% (0.97  10.0   5.54 173.01) = 100.000%  kept
          HG2   LYS+  38 - HB3   LYS+  99  10.10 +/- 0.87   0.044% *  0.1028% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+  99  12.87 +/- 1.17   0.010% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  14.73 +/- 5.19   0.019% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  99  15.24 +/- 1.36   0.004% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  99  17.62 +/- 1.97   0.001% *  0.0894% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  15.85 +/- 0.68   0.003% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  17.44 +/- 0.99   0.002% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  22.38 +/- 3.04   0.000% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  20.00 +/- 1.15   0.001% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3378 (1.77, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 7.0, residual support = 173.0:
      O T HB2   LYS+  99 - HA    LYS+  99   2.86 +/- 0.26  99.961% * 99.7492% (0.99  10.0 10.00   7.00 173.01) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  99  11.12 +/- 0.90   0.037% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  99  20.01 +/- 1.45   0.001% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    LYS+  99  23.38 +/- 1.39   0.000% *  0.0986% (0.98   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 3379 (1.72, 1.24, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.61, support = 5.18, residual support = 181.5:
      O   HB3   LYS+  99 - HG3   LYS+  99   2.84 +/- 0.28  19.493% * 58.3907% (0.99  10.0  1.00   5.07 173.01) =  41.385%  kept
      O T QD    LYS+  99 - HG3   LYS+  99   2.33 +/- 0.15  53.161% * 20.0954% (0.34  10.0 10.00   5.27 173.01) =  38.843%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.63 +/- 0.23  27.247% * 19.9563% (0.34  10.0 10.00   5.20 216.15) =  19.771%  kept
        T QD    LYS+ 106 - HG12  ILE   89  10.23 +/- 2.22   0.023% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+  38   7.97 +/- 1.28   0.055% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  99  12.70 +/- 0.87   0.002% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  19.22 +/- 1.26   0.000% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38   9.99 +/- 1.24   0.011% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  13.62 +/- 2.45   0.003% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  21.57 +/- 1.29   0.000% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG12  ILE   89  18.59 +/- 1.63   0.000% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  15.40 +/- 1.38   0.001% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  13.84 +/- 1.88   0.002% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  18.41 +/- 1.92   0.000% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  18.86 +/- 1.41   0.000% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  24.37 +/- 1.30   0.000% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  17.13 +/- 1.00   0.000% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  26.01 +/- 1.55   0.000% *  0.0051% (0.09   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 3380 (1.77, 1.24, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 6.44, residual support = 173.0:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.50 +/- 0.23  99.863% * 97.9462% (0.99  10.0 10.00   6.44 173.01) = 100.000%  kept
        T HB    VAL   43 - HG12  ILE   89   9.37 +/- 1.69   0.056% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG3   LYS+  38  10.07 +/- 1.37   0.047% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.85 +/- 0.95   0.005% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.57 +/- 1.58   0.026% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  18.56 +/- 2.00   0.001% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  99  21.78 +/- 1.98   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  17.85 +/- 1.28   0.001% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  25.88 +/- 1.40   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  23.45 +/- 1.06   0.000% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  22.80 +/- 1.54   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  28.29 +/- 1.20   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.48, residual support = 122.8:
    * O   HA    GLN  116 - HG3   GLN  116   3.31 +/- 0.35  99.983% * 99.5202% (1.00  10.0   5.48 122.77) = 100.000%  kept
          HA    VAL   70 - HG3   GLN  116  18.34 +/- 2.71   0.005% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLN  116  18.25 +/- 2.05   0.004% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  19.12 +/- 2.71   0.004% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  22.38 +/- 3.13   0.002% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  26.22 +/- 2.70   0.001% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  29.31 +/- 2.28   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  30.63 +/- 2.00   0.000% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  30.34 +/- 2.30   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.02, residual support = 122.8:
      O   HB2   GLN  116 - HG3   GLN  116   2.38 +/- 0.22  99.904% * 99.6757% (0.98  10.0   6.02 122.77) = 100.000%  kept
          HB2   PRO   58 - HG3   GLN  116   9.65 +/- 2.43   0.094% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   GLN  116  15.64 +/- 2.28   0.002% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   GLN  116  25.98 +/- 2.09   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  25.27 +/- 2.37   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  28.65 +/- 1.91   0.000% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.02, residual support = 99.3:
          QD2   LEU  115 - HG3   GLN  116   4.45 +/- 1.24  78.730% * 98.8068% (0.97   7.03  99.38) =  99.957%  kept
          QD1   LEU   63 - HG3   GLN  116   7.91 +/- 2.61  15.160% *  0.2001% (0.69   0.02   0.02) =   0.039%
          QD2   LEU   63 - HG3   GLN  116   8.79 +/- 2.60   6.071% *  0.0450% (0.15   0.02   0.02) =   0.004%
          QD1   LEU  104 - HG3   GLN  116  16.09 +/- 2.15   0.022% *  0.2856% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG3   GLN  116  18.37 +/- 1.88   0.010% *  0.2001% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   GLN  116  21.03 +/- 1.92   0.004% *  0.2856% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   GLN  116  21.85 +/- 1.95   0.003% *  0.1767% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 4 structures by 0.74 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.46, residual support = 122.8:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.999% * 99.7025% (0.98  10.0  1.00   6.46 122.77) = 100.000%  kept
          HB3   PHE   95 - HG3   GLN  116  12.17 +/- 1.37   0.001% *  0.0962% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  32.64 +/- 1.67   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 = 4.04, residual support = 122.8:
      O   HE21  GLN  116 - HG3   GLN  116   3.35 +/- 0.30  97.144% * 99.6819% (0.69  10.0   4.04 122.77) =  99.998%  kept
          HN    ALA  120 - HG3   GLN  116   6.51 +/- 0.65   2.390% *  0.0448% (0.31   1.0   0.02   0.38) =   0.001%
          HN    ALA   57 - HG3   GLN  116  10.63 +/- 2.38   0.465% *  0.1109% (0.76   1.0   0.02   0.02) =   0.001%
          HE21  GLN   90 - HG3   GLN  116  26.51 +/- 2.84   0.001% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG3   GLN  116  30.23 +/- 2.60   0.000% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 7.66, residual support = 122.8:
          HN    GLN  116 - HG3   GLN  116   3.72 +/- 0.32  94.623% * 98.9996% (0.69   7.66 122.77) =  99.987%  kept
          HN    THR  118 - HG3   GLN  116   7.12 +/- 0.43   2.242% *  0.3473% (0.92   0.02   0.02) =   0.008%
          HN    GLU- 114 - HG3   GLN  116   6.92 +/- 0.63   2.594% *  0.0938% (0.25   0.02   0.17) =   0.003%
          HN    PHE   60 - HG3   GLN  116   9.90 +/- 1.88   0.539% *  0.3762% (1.00   0.02   0.02) =   0.002%
          HN    GLU-  15 - HG3   GLN  116  23.69 +/- 2.29   0.002% *  0.1831% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 177.2:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.756% * 88.2996% (1.00  10.0 10.00   6.61 173.01) =  90.832%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.756% *  8.9120% (0.10  10.0 10.00   6.42 219.14) =   9.168%  kept
        T HG2   LYS+  38 - HG3   LYS+  99   8.63 +/- 1.21   0.005% *  0.8540% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG12  ILE   89   4.74 +/- 0.25   0.133% *  0.0247% (0.28   1.0  1.00   0.02   8.25) =   0.000%
          QB    ALA   84 - HG12  ILE   89   4.86 +/- 1.15   0.256% *  0.0063% (0.07   1.0  1.00   0.02  10.64) =   0.000%
        T HG2   LYS+  99 - HG3   LYS+  38   7.75 +/- 1.24   0.011% *  0.0921% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG12  ILE   89   5.62 +/- 0.61   0.060% *  0.0111% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   9.03 +/- 2.44   0.013% *  0.0261% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.81 +/- 0.67   0.004% *  0.0221% (0.25   1.0  1.00   0.02  17.63) =   0.000%
        T HG2   LYS+ 111 - HG12  ILE   89  16.99 +/- 3.95   0.000% *  0.3313% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.36 +/- 1.49   0.000% *  0.0768% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  14.74 +/- 5.76   0.001% *  0.0302% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  11.81 +/- 0.78   0.001% *  0.0175% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  10.77 +/- 1.47   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  12.28 +/- 2.28   0.001% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  24.49 +/- 2.92   0.000% *  0.8169% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  16.66 +/- 1.66   0.000% *  0.0537% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.21 +/- 0.95   0.000% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  16.87 +/- 2.30   0.000% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.68 +/- 0.94   0.000% *  0.0431% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  19.32 +/- 2.05   0.000% *  0.0608% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  21.61 +/- 1.23   0.000% *  0.0643% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  18.42 +/- 1.46   0.000% *  0.0218% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  20.42 +/- 2.11   0.000% *  0.0358% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.12 +/- 1.01   0.000% *  0.0273% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.81 +/- 1.62   0.000% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  18.50 +/- 5.85   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  20.06 +/- 1.36   0.000% *  0.0155% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  24.91 +/- 2.04   0.000% *  0.0346% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  22.22 +/- 0.77   0.000% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  23.96 +/- 2.06   0.000% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  21.14 +/- 1.30   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  23.45 +/- 2.27   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.96 +/- 0.99   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  23.88 +/- 1.12   0.000% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  22.49 +/- 1.16   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  23.07 +/- 1.52   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  31.54 +/- 2.89   0.000% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  27.45 +/- 1.53   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                               :   2700
      with diagonal assignment               :    465
      without assignment possibility         :     14
      with one assignment possibility        :    111
      with multiple assignment possibilities :   2110
      with given assignment possibilities    :      0
      with unique volume contribution        :   1723
      with multiple volume contributions     :    498
      eliminated by violation filter         :     99
 
    Peaks:
      selected                               :   2700
      without assignment                     :    137
      with assignment                        :   2563
      with unique assignment                 :   2006
      with multiple assignment               :    557
      with reference assignment              :   1605
      with identical reference assignment    :   1268
      with compatible reference assignment   :    329
      with incompatible reference assignment :      8
      with additional reference assignment   :      0
      with additional assignment             :    958
 
    Atoms with eliminated volume contribution > 2.5:
    QD1   ILE   19       2.5
    HA    HIS   22       3.0
    QB    LYS+  33       2.8
    QD2   LEU   40       3.0
    QD    PHE   45       4.0
    QG2   ILE   56       3.0
    QD    PHE   59       3.4
    QD    PHE   60       2.7
    HN    LYS+  65       6.0
    HZ    PHE   72       2.9
    HD2   PRO   93       3.0
    HA    THR  118       5.0
    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 = 3.93, residual support = 71.5:
        T HA    PHE   60 - QD    PHE   60   2.84 +/- 0.44  99.710% * 98.3426% (0.87 10.00   3.93  71.47) =  99.999%  kept
        T QB    SER  117 - QD    PHE   60  11.50 +/- 0.99   0.037% *  1.0168% (0.90 10.00   0.02   0.02) =   0.000%
        T QB    SER   48 - QD    PHE   60  12.44 +/- 1.61   0.028% *  0.4255% (0.38 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    PHE   60   9.29 +/- 0.97   0.136% *  0.0552% (0.49  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   60  12.33 +/- 1.33   0.022% *  0.0733% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   60  11.94 +/- 1.91   0.052% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   60  13.72 +/- 1.68   0.016% *  0.0642% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 74.0:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  99.738% * 99.2427% (0.69  10.0   1.00  74.03) = 100.000%  kept
          HN    TRP   87 - HZ3   TRP   87   6.76 +/- 0.22   0.257% *  0.1753% (0.61   1.0   0.02  74.03) =   0.000%
          HN    ALA   91 - HZ3   TRP   87  13.84 +/- 0.80   0.004% *  0.0892% (0.31   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HZ3   TRP   87  20.10 +/- 2.69   0.001% *  0.1636% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HZ3   TRP   87  22.67 +/- 2.02   0.000% *  0.2208% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HZ3   TRP   87  20.49 +/- 1.46   0.000% *  0.1084% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 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  21.05 +/- 2.70 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 4.66 A violated in 20 structures by 16.38 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.18, residual support = 5.17:
          QB    ALA   20 - HE1   HIS   22   4.50 +/- 0.12  99.823% * 93.7663% (0.76   1.18   5.17) =  99.999%  kept
          HB3   LEU   31 - HE1   HIS   22  16.96 +/- 2.86   0.127% *  0.5186% (0.25   0.02   0.02) =   0.001%
          QG2   VAL  107 - HE1   HIS   22  20.51 +/- 2.96   0.024% *  1.9674% (0.95   0.02   0.02) =   0.000%
          HG13  ILE  103 - HE1   HIS   22  22.53 +/- 3.34   0.015% *  1.0942% (0.53   0.02   0.02) =   0.000%
          HG13  ILE  119 - HE1   HIS   22  23.12 +/- 2.71   0.009% *  0.5783% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HE1   HIS   22  29.53 +/- 2.78   0.002% *  2.0752% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.62 A, kept.
 
    Peak 48 (8.78, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.305, support = 5.14, residual support = 46.7:
          HN    ASN   28 - HD1   TRP   27   4.00 +/- 0.47  94.768% * 35.6684% (0.25   5.37  50.42) =  92.516%  kept
          HN    GLU-  25 - HD1   TRP   27   7.20 +/- 0.73   4.283% * 63.7266% (0.99   2.41   0.18) =   7.470%  kept
          HN    ASP-  44 - HD1   TRP   27   9.01 +/- 0.95   0.944% *  0.5227% (0.98   0.02   0.02) =   0.014%
          HN    ALA  110 - HD1   TRP   27  21.65 +/- 2.00   0.005% *  0.0823% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 49 (10.20, 7.19, 127.61 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.37, residual support = 108.1:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.37 108.10) = 100.000%  kept
    Distance limit 3.55 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 = 1.58, residual support = 108.1:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  99.999% * 99.9803% (0.89  10.0   1.58 108.10) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  17.20 +/- 1.67   0.001% *  0.0197% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 4.28, residual support = 108.1:
          HA    TRP   27 - HE3   TRP   27   3.60 +/- 1.50  99.549% * 98.5818% (0.96   4.28 108.10) =  99.999%  kept
          HA    ALA   91 - HE3   TRP   27  15.50 +/- 2.31   0.132% *  0.4726% (0.98   0.02   0.02) =   0.001%
          HA    VAL  107 - HE3   TRP   27  17.37 +/- 1.09   0.035% *  0.4402% (0.91   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   67  16.54 +/- 2.10   0.141% *  0.0685% (0.14   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LEU   67  17.20 +/- 1.13   0.046% *  0.0716% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HE3   TRP   27  21.02 +/- 1.67   0.014% *  0.1790% (0.37   0.02   0.02) =   0.000%
          HA    ALA  110 - HE3   TRP   27  20.60 +/- 2.78   0.018% *  0.0736% (0.15   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  19.64 +/- 3.46   0.054% *  0.0114% (0.02   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   67  24.44 +/- 1.72   0.004% *  0.0735% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  21.38 +/- 0.76   0.008% *  0.0278% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 7 structures by 0.52 A, kept.
 
    Peak 52 (3.02, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.174, support = 4.5, residual support = 108.1:
      O   HB3   TRP   27 - HE3   TRP   27   3.00 +/- 0.27  99.899% * 98.0783% (0.17  10.0   4.50 108.10) = 100.000%  kept
          QE    LYS+ 102 - HE3   TRP   27  14.26 +/- 2.04   0.019% *  0.5405% (0.96   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HE3   TRP   27  14.76 +/- 1.54   0.012% *  0.4678% (0.83   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    LEU   67  12.22 +/- 1.05   0.029% *  0.0728% (0.13   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HE3   TRP   27  17.64 +/- 1.57   0.004% *  0.5551% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HE3   TRP   27  13.38 +/- 0.83   0.016% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  13.65 +/- 1.38   0.015% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU   67  18.23 +/- 1.36   0.002% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    LEU   67  20.76 +/- 1.15   0.001% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  17.98 +/- 1.43   0.003% *  0.0153% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 0.928, support = 1.46, residual support = 9.48:
          QG1   VAL   43 - HE3   TRP   27   4.73 +/- 0.85  53.077% * 72.3788% (0.99   1.50   9.16) =  90.799%  kept
          QD2   LEU   73 - HE3   TRP   27   5.91 +/- 1.00  15.578% * 18.7240% (0.28   1.40  13.15) =   6.894%  kept
          HG    LEU   31 - HE3   TRP   27   6.15 +/- 1.61  19.352% *  4.7044% (0.41   0.24  11.77) =   2.152%  kept
          QG1   VAL   41 - HE3   TRP   27   7.67 +/- 1.68   4.758% *  0.9129% (0.94   0.02   0.02) =   0.103%
          QG2   THR   46 - HE3   TRP   27   9.29 +/- 1.25   1.062% *  0.8061% (0.83   0.02   0.02) =   0.020%
          QG2   VAL   18 - HE3   TRP   27  10.34 +/- 1.30   0.541% *  0.8909% (0.91   0.02   0.02) =   0.011%
          QG2   VAL   18 - HN    LEU   67   8.11 +/- 1.54   2.917% *  0.1386% (0.14   0.02   0.02) =   0.010%
          QD1   ILE   19 - HE3   TRP   27  10.16 +/- 1.47   0.646% *  0.4697% (0.48   0.02   0.02) =   0.007%
          QD1   ILE   19 - HN    LEU   67   9.63 +/- 1.55   1.080% *  0.0731% (0.08   0.02   0.02) =   0.002%
          QD2   LEU   73 - HN    LEU   67   9.76 +/- 0.47   0.542% *  0.0418% (0.04   0.02   0.02) =   0.001%
          QD2   LEU  104 - HE3   TRP   27  13.79 +/- 1.42   0.067% *  0.3292% (0.34   0.02   0.02) =   0.001%
          QG1   VAL   43 - HN    LEU   67  12.43 +/- 0.64   0.130% *  0.1502% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    LEU   67  12.37 +/- 0.51   0.131% *  0.1420% (0.15   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   67  14.64 +/- 1.07   0.049% *  0.1254% (0.13   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   67  14.72 +/- 1.46   0.058% *  0.0512% (0.05   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LEU   67  18.30 +/- 1.05   0.012% *  0.0617% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 54 (0.60, 7.32, 120.14 ppm):
    14 chemical-shift based assignments, quality = 0.621, support = 4.68, residual support = 13.5:
          QD2   LEU   80 - HE3   TRP   27   3.90 +/- 1.50  43.112% * 57.1557% (0.76   4.58  14.10) =  61.578%  kept
          QD1   LEU   73 - HE3   TRP   27   4.05 +/- 1.12  46.273% * 31.2059% (0.37   5.10  13.15) =  36.085%  kept
          QG1   VAL   83 - HE3   TRP   27   4.87 +/- 1.21   8.767% * 10.6581% (0.89   0.73   3.52) =   2.335%  kept
          QG2   ILE   89 - HE3   TRP   27   9.31 +/- 1.40   0.351% *  0.0907% (0.28   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    LEU   67   6.29 +/- 0.74   1.295% *  0.0191% (0.06   0.02   0.02) =   0.001%
          QD1   LEU   63 - HE3   TRP   27  13.05 +/- 1.98   0.036% *  0.1225% (0.37   0.02   0.02) =   0.000%
          QD1   LEU  104 - HE3   TRP   27  13.85 +/- 1.37   0.014% *  0.3087% (0.94   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   67  10.72 +/- 1.22   0.073% *  0.0369% (0.11   0.02   0.02) =   0.000%
          QD2   LEU  115 - HE3   TRP   27  15.79 +/- 2.00   0.007% *  0.2370% (0.72   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   67  13.03 +/- 1.86   0.030% *  0.0480% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU   67  11.52 +/- 0.71   0.036% *  0.0191% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   67  17.27 +/- 1.09   0.002% *  0.0388% (0.12   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  18.81 +/- 1.00   0.002% *  0.0455% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  18.11 +/- 0.71   0.002% *  0.0141% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (0.12, 7.32, 120.14 ppm):
    4 chemical-shift based assignments, quality = 0.72, support = 1.41, residual support = 4.25:
          QG2   VAL   75 - HE3   TRP   27   3.46 +/- 1.44  93.413% * 98.5212% (0.72   1.41   4.25) =  99.972%  kept
          QG2   VAL   42 - HE3   TRP   27   9.39 +/- 0.71   1.613% *  1.0912% (0.56   0.02   0.02) =   0.019%
          QG2   VAL   42 - HN    LEU   67   7.45 +/- 0.90   4.885% *  0.1698% (0.09   0.02   0.02) =   0.009%
          QG2   VAL   75 - HN    LEU   67  14.16 +/- 0.58   0.089% *  0.2178% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 4 structures by 0.40 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.54, residual support = 34.8:
      O T HB2   HIS   22 - HD2   HIS   22   3.17 +/- 0.52  99.997% * 99.9216% (0.92  10.0 10.00   2.54  34.83) = 100.000%  kept
          HA    LEU   63 - HD2   HIS   22  20.35 +/- 1.30   0.002% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HD2   HIS   22  26.31 +/- 2.07   0.001% *  0.0214% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 57 (3.25, 7.36, 120.68 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.16, residual support = 34.8:
      O T HB3   HIS   22 - HD2   HIS   22   3.61 +/- 0.46  99.998% * 99.8217% (0.45  10.0 10.00   3.16  34.83) = 100.000%  kept
          HD3   ARG+  54 - HD2   HIS   22  23.67 +/- 2.60   0.002% *  0.1783% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 58 (2.79, 7.36, 120.68 ppm):
    5 chemical-shift based assignments, quality = 0.848, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22  10.41 +/- 1.13  59.908% * 29.7119% (0.92   0.02   0.02) =  81.542%  kept
          HB3   ASP-  78 - HD2   HIS   22  15.25 +/- 1.76   7.660% * 19.5221% (0.61   0.02   0.02) =   6.851%  kept
          HB2   PHE   72 - HD2   HIS   22  12.02 +/- 1.21  28.042% *  4.9662% (0.15   0.02   0.02) =   6.380%  kept
          QB    CYS   50 - HD2   HIS   22  17.21 +/- 1.50   3.335% * 28.8658% (0.90   0.02   0.02) =   4.409%  kept
          HB3   ASN   69 - HD2   HIS   22  20.99 +/- 1.61   1.055% * 16.9340% (0.53   0.02   0.02) =   0.819%  kept
    Distance limit 4.70 A violated in 20 structures by 4.83 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.15, residual support = 5.17:
        T QB    ALA   20 - HD2   HIS   22   4.94 +/- 0.09  99.867% * 98.9678% (0.28 10.00   2.15   5.17) = 100.000%  kept
          QG2   VAL  107 - HD2   HIS   22  19.88 +/- 1.55   0.028% *  0.3088% (0.87  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   HIS   22  20.52 +/- 1.38   0.022% *  0.3435% (0.97  1.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HD2   HIS   22  17.02 +/- 1.42   0.076% *  0.0704% (0.20  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HD2   HIS   22  28.24 +/- 2.18   0.003% *  0.2303% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HD2   HIS   22  27.88 +/- 2.71   0.004% *  0.0792% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.60 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  19.64 +/- 2.70 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.65 A violated in 20 structures by 14.99 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 3.23, residual support = 7.35:
          HA    CYS   21 - HD2   HIS   22   3.84 +/- 0.28  99.963% * 97.4311% (0.95   3.23   7.35) = 100.000%  kept
          HA    TRP   49 - HD2   HIS   22  21.32 +/- 3.06   0.006% *  0.6368% (1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   HIS   22  20.17 +/- 1.94   0.006% *  0.6024% (0.95   0.02   0.02) =   0.000%
          HA    ALA   47 - HD2   HIS   22  17.66 +/- 2.52   0.019% *  0.1771% (0.28   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD2   HIS   22  22.09 +/- 1.89   0.004% *  0.4120% (0.65   0.02   0.02) =   0.000%
          HA1   GLY  109 - HD2   HIS   22  27.79 +/- 2.03   0.001% *  0.6146% (0.97   0.02   0.02) =   0.000%
          HA    VAL  108 - HD2   HIS   22  24.25 +/- 1.70   0.002% *  0.1260% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 0.993, support = 3.22, residual support = 50.2:
          HA    ASN   28 - HD1   TRP   27   3.91 +/- 0.94  95.704% * 79.9672% (1.00   3.23  50.42) =  99.355%  kept
          HA    THR   26 - HD1   TRP   27   7.35 +/- 0.60   2.800% * 17.6138% (0.28   2.55  22.59) =   0.640%  kept
          HA1   GLY  101 - HD1   TRP   27  11.95 +/- 3.23   0.503% *  0.3795% (0.76   0.02   0.02) =   0.002%
          HA    ALA   34 - HD1   TRP   27  11.20 +/- 2.15   0.263% *  0.4584% (0.92   0.02   0.02) =   0.002%
          HA    LYS+  81 - HD1   TRP   27  12.41 +/- 2.48   0.676% *  0.0983% (0.20   0.02   0.02) =   0.001%
          HA    LEU  115 - HD1   TRP   27  20.28 +/- 1.43   0.009% *  0.4922% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD1   TRP   27  15.35 +/- 1.90   0.034% *  0.0672% (0.14   0.02   0.02) =   0.000%
          HA    ARG+  54 - HD1   TRP   27  21.85 +/- 1.10   0.006% *  0.3411% (0.69   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD1   TRP   27  23.87 +/- 1.22   0.003% *  0.3012% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - HD1   TRP   27  26.56 +/- 4.88   0.002% *  0.2811% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.20 A, kept.
 
    Peak 63 (3.77, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 4.91, residual support = 25.0:
          HA    VAL   24 - HD1   TRP   27   4.31 +/- 0.91  99.628% * 99.5021% (1.00   4.91  25.02) =  99.999%  kept
          HA    LYS+  38 - HD1   TRP   27  14.31 +/- 2.12   0.269% *  0.2790% (0.69   0.02   0.02) =   0.001%
          HD2   PRO   68 - HD1   TRP   27  19.35 +/- 2.88   0.043% *  0.1386% (0.34   0.02   0.02) =   0.000%
          HA    ALA   61 - HD1   TRP   27  17.27 +/- 1.64   0.060% *  0.0804% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 6 structures by 0.54 A, kept.
 
    Peak 64 (3.58, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.66, residual support = 108.1:
      O T HB2   TRP   27 - HD1   TRP   27   3.17 +/- 0.52  99.948% * 99.7544% (0.65  10.0 10.00   3.66 108.10) = 100.000%  kept
          HA    THR   77 - HD1   TRP   27  11.51 +/- 2.02   0.049% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HD1   TRP   27  18.52 +/- 1.16   0.003% *  0.0998% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.09, residual support = 108.1:
      O T HB3   TRP   27 - HD1   TRP   27   3.57 +/- 0.15  99.931% * 99.6316% (0.73  10.0 10.00   4.09 108.10) = 100.000%  kept
          HB2   PHE   97 - HD1   TRP   27  14.13 +/- 1.18   0.031% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HD1   TRP   27  15.27 +/- 1.55   0.023% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HD1   TRP   27  15.88 +/- 1.20   0.015% *  0.1267% (0.92   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 66 (1.08, 7.19, 127.61 ppm):
    6 chemical-shift based assignments, quality = 0.751, support = 3.01, residual support = 25.0:
        T QG2   VAL   24 - HD1   TRP   27   4.15 +/- 1.54  63.804% * 94.1614% (0.76 10.00   3.02  25.02) =  97.131%  kept
          QG1   VAL   24 - HD1   TRP   27   5.00 +/- 1.18  36.114% *  4.9120% (0.31  1.00   2.58  25.02) =   2.868%  kept
        T QG1   VAL  107 - HD1   TRP   27  15.67 +/- 1.16   0.042% *  0.7971% (0.65 10.00   0.02   0.02) =   0.001%
          HG    LEU   63 - HD1   TRP   27  18.22 +/- 3.13   0.035% *  0.0747% (0.61  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HD1   TRP   27  24.96 +/- 2.76   0.002% *  0.0274% (0.22  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD1   TRP   27  24.31 +/- 2.26   0.002% *  0.0274% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.20 A, kept.
 
    Peak 67 (0.60, 7.19, 127.61 ppm):
    7 chemical-shift based assignments, quality = 0.684, support = 2.87, residual support = 8.71:
          QG1   VAL   83 - HD1   TRP   27   4.90 +/- 2.46  43.909% * 32.3549% (0.80   2.51   3.52) =  47.317%  kept
          QD1   LEU   73 - HD1   TRP   27   4.68 +/- 2.45  46.622% * 25.6341% (0.49   3.27  13.15) =  39.805%  kept
          QD2   LEU   80 - HD1   TRP   27   5.30 +/- 1.51   9.384% * 41.2018% (0.87   2.95  14.10) =  12.878%  kept
          QD1   LEU  104 - HD1   TRP   27  13.79 +/- 1.39   0.013% *  0.3194% (0.99   0.02   0.02) =   0.000%
          QG2   ILE   89 - HD1   TRP   27  10.63 +/- 1.75   0.055% *  0.0638% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  115 - HD1   TRP   27  17.26 +/- 2.12   0.007% *  0.2692% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   63 - HD1   TRP   27  14.44 +/- 2.45   0.009% *  0.1569% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 1 structures by 0.06 A, kept.
 
    Peak 68 (0.08, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.85, support = 1.42, residual support = 8.04:
          QD2   LEU   31 - HD1   TRP   27   3.55 +/- 1.32  61.856% * 42.1533% (0.73   1.43  11.77) =  54.795%  kept
          QG2   VAL   83 - HD1   TRP   27   5.85 +/- 2.27  37.654% * 57.1176% (1.00   1.41   3.52) =  45.198%  kept
          QD1   ILE   89 - HD1   TRP   27  10.29 +/- 2.45   0.490% *  0.7291% (0.90   0.02   0.02) =   0.008%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 69 (6.73, 6.31, 122.21 ppm):
    2 chemical-shift based assignments, quality = 0.278, support = 1.18, residual support = 108.1:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  99.996% * 99.7536% (0.28  10.0 10.00   1.18 108.10) = 100.000%  kept
          HZ    PHE   72 - HH2   TRP   27  14.54 +/- 1.86   0.004% *  0.2464% (0.69   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 70 (6.75, 6.35, 121.95 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 1.94, residual support = 108.1:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   1.94 108.10) = 100.000%  kept
    Distance limit 4.70 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 = 1.58, residual support = 108.1:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  99.892% * 99.6584% (1.00  10.0   1.58 108.10) = 100.000%  kept
          HN    THR   23 - HZ3   TRP   27   9.16 +/- 1.18   0.054% *  0.0766% (0.61   1.0   0.02   0.73) =   0.000%
          QE    PHE   95 - HZ3   TRP   27  11.19 +/- 1.69   0.022% *  0.0817% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  11.29 +/- 2.77   0.030% *  0.0281% (0.22   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HZ3   TRP   27  19.26 +/- 1.79   0.001% *  0.1238% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HZ3   TRP   27  17.20 +/- 1.67   0.001% *  0.0315% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.73 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 = 1.43, residual support = 9.18:
        T QG1   VAL   43 - HH2   TRP   27   3.00 +/- 0.86  80.758% * 93.6653% (0.92 10.00   1.43   9.16) =  99.285%  kept
          HG    LEU   31 - HH2   TRP   27   6.30 +/- 1.67   9.101% *  5.8342% (0.65  1.00   1.27  11.77) =   0.697%  kept
          QG1   VAL   41 - HH2   TRP   27   6.20 +/- 2.01   9.670% *  0.1419% (1.00  1.00   0.02   0.02) =   0.018%
          QD2   LEU   73 - HH2   TRP   27   7.35 +/- 1.13   0.333% *  0.0692% (0.49  1.00   0.02  13.15) =   0.000%
          QG2   THR   46 - HH2   TRP   27  10.54 +/- 0.93   0.052% *  0.0863% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HH2   TRP   27  11.73 +/- 1.19   0.023% *  0.1033% (0.73  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HH2   TRP   27  10.70 +/- 1.60   0.045% *  0.0249% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HH2   TRP   27  12.31 +/- 1.74   0.013% *  0.0395% (0.28  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HH2   TRP   27  14.98 +/- 1.67   0.006% *  0.0355% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.02 A, kept.
 
    Peak 73 (0.76, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.92, support = 2.94, residual support = 9.16:
        T QG1   VAL   43 - HZ3   TRP   27   3.86 +/- 0.86  71.935% * 93.6769% (0.92 10.00   2.96   9.16) =  99.291%  kept
          HG    LEU   31 - HZ3   TRP   27   6.65 +/- 2.05   8.447% *  4.1630% (0.65  1.00   1.27  11.77) =   0.518%  kept
          QD2   LEU   73 - HZ3   TRP   27   6.43 +/- 1.75   6.273% *  1.8523% (0.49  1.00   0.75  13.15) =   0.171%
          QG1   VAL   41 - HZ3   TRP   27   6.97 +/- 2.54  12.384% *  0.1013% (1.00  1.00   0.02   0.02) =   0.018%
          QG2   THR   46 - HZ3   TRP   27   9.51 +/- 1.38   0.546% *  0.0616% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HZ3   TRP   27  10.72 +/- 1.42   0.170% *  0.0737% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HZ3   TRP   27  11.10 +/- 2.14   0.176% *  0.0282% (0.28  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HZ3   TRP   27  12.39 +/- 1.76   0.044% *  0.0178% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HZ3   TRP   27  14.98 +/- 1.63   0.026% *  0.0253% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.02 A, kept.
 
    Peak 74 (0.58, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.871, support = 2.08, residual support = 13.2:
        T QD1   LEU   73 - HZ3   TRP   27   4.41 +/- 1.94  32.641% * 92.5221% (0.90 10.00   2.10  13.15) =  93.513%  kept
          QD2   LEU   80 - HZ3   TRP   27   4.96 +/- 1.91  38.285% *  5.1519% (0.53  1.00   1.90  14.10) =   6.108%  kept
          QD1   LEU   80 - HZ3   TRP   27   6.36 +/- 2.25  13.278% *  0.8932% (0.15  1.00   1.12  14.10) =   0.367%
          QG2   VAL   41 - HZ3   TRP   27   5.56 +/- 1.69   8.896% *  0.0287% (0.28  1.00   0.02   0.02) =   0.008%
          QD2   LEU   98 - HZ3   TRP   27   5.80 +/- 1.66   6.839% *  0.0159% (0.15  1.00   0.02   0.02) =   0.003%
        T QD1   LEU   63 - HZ3   TRP   27  12.27 +/- 2.02   0.025% *  0.9252% (0.90 10.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HZ3   TRP   27  12.55 +/- 1.83   0.016% *  0.3184% (0.31 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HZ3   TRP   27  13.01 +/- 2.08   0.014% *  0.0862% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HZ3   TRP   27  14.80 +/- 2.16   0.007% *  0.0584% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 75 (0.08, 6.35, 121.95 ppm):
    3 chemical-shift based assignments, quality = 0.779, support = 1.57, residual support = 11.2:
        T QD2   LEU   31 - HZ3   TRP   27   5.09 +/- 1.98  44.519% * 94.4951% (0.76 10.00   1.63  11.77) =  93.601%  kept
          QG2   VAL   83 - HZ3   TRP   27   4.71 +/- 2.15  53.476% *  5.3732% (1.00  1.00   0.71   3.52) =   6.393%  kept
          QD1   ILE   89 - HZ3   TRP   27   8.17 +/- 2.13   2.005% *  0.1317% (0.87  1.00   0.02   0.02) =   0.006%
    Distance limit 4.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 76 (0.08, 6.31, 122.21 ppm):
    3 chemical-shift based assignments, quality = 0.883, support = 1.65, residual support = 7.56:
          QG2   VAL   83 - HH2   TRP   27   4.99 +/- 1.69  47.304% * 50.0404% (1.00   1.45   3.52) =  50.924%  kept
          QD2   LEU   31 - HH2   TRP   27   4.84 +/- 1.66  46.137% * 49.3592% (0.76   1.87  11.77) =  48.991%  kept
          QD1   ILE   89 - HH2   TRP   27   7.49 +/- 1.77   6.559% *  0.6003% (0.87   0.02   0.02) =   0.085%
    Distance limit 4.13 A violated in 0 structures by 0.06 A, kept.
 
    Peak 77 (0.58, 6.31, 122.21 ppm):
    8 chemical-shift based assignments, quality = 0.825, support = 1.99, residual support = 12.0:
          QD1   LEU   73 - HH2   TRP   27   5.19 +/- 1.39  20.050% * 53.1902% (1.00   2.09  13.15) =  62.940%  kept
          QD2   LEU   80 - HH2   TRP   27   6.30 +/- 1.33   9.922% * 39.1928% (0.76   2.01  14.10) =  22.950%  kept
          QG1   VAL   83 - HH2   TRP   27   5.34 +/- 1.85  39.150% *  6.0492% (0.15   1.53   3.52) =  13.977%  kept
          QG2   VAL   41 - HH2   TRP   27   4.75 +/- 1.39  30.451% *  0.0692% (0.14   0.02   0.02) =   0.124%
          QD1   LEU  104 - HH2   TRP   27  11.04 +/- 1.66   0.220% *  0.2690% (0.53   0.02   0.02) =   0.003%
          QD1   LEU   63 - HH2   TRP   27  12.11 +/- 2.01   0.100% *  0.5101% (1.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - HH2   TRP   27  12.80 +/- 2.08   0.065% *  0.3101% (0.61   0.02   0.02) =   0.001%
          QD2   LEU  115 - HH2   TRP   27  14.43 +/- 2.31   0.041% *  0.4094% (0.80   0.02   0.02) =   0.001%
    Distance limit 4.69 A violated in 0 structures by 0.05 A, kept.
 
    Peak 78 (6.31, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.18, residual support = 108.1:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.18 108.10) = 100.000%  kept
    Distance limit 3.55 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 = 0.961, support = 1.06, residual support = 13.7:
          HZ2   TRP   87 - HZ2   TRP   27   3.40 +/- 1.18  93.283% * 24.7484% (0.98   0.75   6.12) =  82.881%  kept
          HD21  ASN   28 - HZ2   TRP   27   6.55 +/- 0.61   6.398% * 74.5034% (0.87   2.55  50.42) =  17.114%  kept
          QE    PHE   60 - HZ2   TRP   27  11.08 +/- 1.80   0.293% *  0.4625% (0.69   0.02   0.02) =   0.005%
          HN    LEU   63 - HZ2   TRP   27  17.43 +/- 1.27   0.018% *  0.1679% (0.25   0.02   0.02) =   0.000%
          HN    ILE   56 - HZ2   TRP   27  19.77 +/- 1.07   0.008% *  0.1179% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.09 A, kept.
 
    Peak 80 (10.20, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 1.66, residual support = 108.1:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.66 108.10) = 100.000%  kept
    Distance limit 4.46 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 = 6.12:
          HE1   TRP   87 - HZ2   TRP   27   5.17 +/- 0.86 100.000% *100.0000% (0.92   2.00   6.12) = 100.000%  kept
    Distance limit 4.39 A violated in 9 structures by 0.87 A, kept.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.773, support = 2.04, residual support = 9.95:
        T QG2   VAL   43 - HZ2   TRP   27   3.46 +/- 0.78  68.269% * 51.9221% (0.90 10.00   1.17   9.16) =  69.911%  kept
        T QD2   LEU   31 - HZ2   TRP   27   3.99 +/- 0.65  31.731% * 48.0779% (0.49 10.00   4.04  11.77) =  30.089%  kept
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 83 (0.08, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.909, support = 1.23, residual support = 7.16:
        T QD1   ILE   89 - QD    PHE   45   3.59 +/- 1.20  62.595% * 81.7426% (0.90 10.00   1.10   7.71) =  88.326%  kept
          QG2   VAL   83 - QD    PHE   45   4.45 +/- 1.47  37.285% * 18.1371% (1.00  1.00   2.19   3.01) =  11.674%  kept
          QD2   LEU   31 - QD    PHE   45   9.06 +/- 0.80   0.121% *  0.1203% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.971, support = 2.8, residual support = 5.74:
          QD1   ILE   89 - QE    PHE   45   3.07 +/- 1.37  55.127% * 52.8014% (0.97   2.96   7.71) =  58.052%  kept
          QG2   VAL   83 - QE    PHE   45   3.30 +/- 1.45  44.776% * 46.9741% (0.98   2.59   3.01) =  41.948%  kept
          QD2   LEU   31 - QE    PHE   45   7.74 +/- 1.01   0.098% *  0.2244% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 17.5:
        T QG1   VAL   75 - QD    PHE   45   2.91 +/- 0.56  99.801% * 99.9034% (1.00 10.00   2.96  17.54) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   45   9.54 +/- 1.55   0.199% *  0.0966% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 86 (1.00, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 2.0, residual support = 17.5:
        T HB    VAL   75 - QD    PHE   45   3.95 +/- 0.83  94.681% * 99.7391% (0.99 10.00   2.00  17.54) =  99.998%  kept
          HG3   LYS+  74 - QD    PHE   45   8.49 +/- 0.50   2.153% *  0.0378% (0.38  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QD    PHE   45   8.72 +/- 0.99   1.363% *  0.0490% (0.49  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QD    PHE   45  10.21 +/- 1.42   0.957% *  0.0343% (0.34  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD    PHE   45  10.40 +/- 0.65   0.417% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    PHE   45  12.20 +/- 1.49   0.249% *  0.0610% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QD    PHE   45  12.43 +/- 0.73   0.179% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 3 structures by 0.28 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.633, support = 2.32, residual support = 8.88:
        T QG2   THR   77 - QD    PHE   45   2.83 +/- 0.72  89.169% * 76.1631% (0.65 10.00   2.25   8.55) =  96.860%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.50 +/- 0.13   9.445% * 23.2995% (0.20 10.00   4.41  19.14) =   3.139%  kept
          QB    ALA   88 - QD    PHE   45   7.77 +/- 0.60   0.431% *  0.1136% (0.97  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QD    PHE   45   6.86 +/- 1.11   0.884% *  0.0442% (0.38  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QD    PHE   45  14.32 +/- 2.15   0.020% *  0.0714% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    PHE   45  13.37 +/- 0.79   0.016% *  0.0619% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    PHE   45  11.47 +/- 1.53   0.028% *  0.0327% (0.28  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    PHE   45  16.19 +/- 0.89   0.005% *  0.1021% (0.87  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    PHE   45  20.06 +/- 0.49   0.001% *  0.1114% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.02 A, kept.
 
    Peak 88 (1.20, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.756, support = 0.75, residual support = 25.4:
          QG2   THR   94 - QD    PHE   45   3.92 +/- 0.56  79.043% * 67.1270% (0.80   0.75  27.18) =  90.839%  kept
          HG12  ILE   89 - QD    PHE   45   5.33 +/- 0.64  20.659% * 25.8744% (0.31   0.75   7.71) =   9.151%  kept
          HD2   LYS+ 112 - QD    PHE   45  14.63 +/- 2.52   0.127% *  2.2355% (1.00   0.02   0.02) =   0.005%
          HB3   LEU   71 - QD    PHE   45  12.75 +/- 0.84   0.076% *  2.2157% (0.99   0.02   0.02) =   0.003%
          HB3   LYS+ 112 - QD    PHE   45  14.68 +/- 1.66   0.042% *  1.7084% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - QD    PHE   45  14.07 +/- 1.98   0.053% *  0.8390% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 89 (0.45, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.31, residual support = 17.5:
        T QG1   VAL   75 - QE    PHE   45   3.19 +/- 0.33  99.879% * 99.9191% (0.90 10.00   2.31  17.54) = 100.000%  kept
          QD1   LEU  115 - QE    PHE   45  10.71 +/- 1.60   0.121% *  0.0809% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 0.594, support = 0.711, residual support = 7.29:
          HB    ILE   89 - QE    PHE   45   4.21 +/- 0.88  22.410% * 94.4406% (0.61   0.75   7.71) =  94.601%  kept
          HB    VAL   43 - QE    PHE   45   3.03 +/- 0.80  77.329% *  1.5584% (0.38   0.02   0.02) =   5.387%  kept
          QD    LYS+  81 - QE    PHE   45   9.88 +/- 1.06   0.121% *  1.2816% (0.31   0.02   0.02) =   0.007%
          QG1   ILE   56 - QE    PHE   45  10.45 +/- 1.69   0.075% *  0.6407% (0.15   0.02   0.02) =   0.002%
          HB2   LYS+  99 - QE    PHE   45  13.32 +/- 0.94   0.030% *  1.1545% (0.28   0.02   0.02) =   0.002%
          HB3   LYS+  99 - QE    PHE   45  13.05 +/- 0.77   0.034% *  0.9244% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 91 (1.95, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 2.0, residual support = 9.81:
          HB3   MET   96 - QE    PHE   45   2.89 +/- 1.04  99.770% * 93.6218% (0.45   2.00   9.82) =  99.996%  kept
          HB    VAL   18 - QE    PHE   45  11.53 +/- 1.12   0.142% *  1.4344% (0.69   0.02   0.02) =   0.002%
          HB2   LEU   40 - QE    PHE   45  13.31 +/- 0.53   0.043% *  1.7443% (0.84   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QE    PHE   45  15.66 +/- 0.67   0.018% *  1.9277% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   67 - QE    PHE   45  15.27 +/- 1.71   0.021% *  0.8585% (0.41   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QE    PHE   45  19.14 +/- 1.65   0.006% *  0.4133% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 1 structures by 0.06 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.222, support = 1.97, residual support = 9.8:
        T HB2   MET   96 - QE    PHE   45   3.76 +/- 0.99  93.499% * 89.1097% (0.22 10.00   1.97   9.82) =  99.887%  kept
          HB3   ASP-  76 - QE    PHE   45   9.08 +/- 0.42   0.947% *  8.4299% (0.73  1.00   0.57   0.02) =   0.096%
          HG3   MET   92 - QE    PHE   45  10.10 +/- 1.33   1.691% *  0.3913% (0.97  1.00   0.02   0.02) =   0.008%
        T HB3   PHE   72 - QE    PHE   45  10.43 +/- 0.66   0.434% *  0.7102% (0.18 10.00   0.02   0.02) =   0.004%
          QG    GLN   90 - QE    PHE   45   7.49 +/- 0.97   2.672% *  0.0903% (0.22  1.00   0.02   0.02) =   0.003%
          HB2   ASP- 105 - QE    PHE   45  10.63 +/- 1.31   0.468% *  0.3743% (0.92  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  29 - QE    PHE   45  13.77 +/- 1.03   0.139% *  0.3637% (0.90  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - QE    PHE   45  12.73 +/- 2.09   0.093% *  0.2133% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   45  16.20 +/- 1.15   0.032% *  0.2623% (0.65  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   45  17.55 +/- 1.79   0.023% *  0.0549% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 2 structures by 0.14 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 80.3:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  98.779% * 99.8696% (0.53  10.0 10.00   1.00  80.26) =  99.998%  kept
          HZ3   TRP   27 - QE    PHE   45   5.41 +/- 1.36   1.221% *  0.1304% (0.69   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.56 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 = 3.51, residual support = 80.3:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  99.995% * 99.6976% (0.65  10.0   3.51  80.26) = 100.000%  kept
          HD2   HIS  122 - QE    PHE   45  13.34 +/- 2.75   0.004% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - QE    PHE   45  18.54 +/- 1.38   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  18.05 +/- 1.82   0.000% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 95 (1.94, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 2.0, residual support = 9.81:
          HB3   MET   96 - QD    PHE   45   4.28 +/- 0.65  98.830% * 96.5080% (0.80   2.00   9.82) =  99.994%  kept
          HB    VAL   18 - QD    PHE   45  10.50 +/- 1.00   0.796% *  0.4111% (0.34   0.02   0.02) =   0.003%
          HB2   LEU   40 - QD    PHE   45  14.35 +/- 0.42   0.099% *  1.2052% (1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QD    PHE   45  13.51 +/- 0.65   0.162% *  0.7310% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   67 - QD    PHE   45  15.01 +/- 1.62   0.087% *  0.1860% (0.15   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD    PHE   45  18.81 +/- 1.48   0.023% *  0.5867% (0.49   0.02   0.02) =   0.000%
          HG3   MET   11 - QD    PHE   45  25.68 +/- 3.07   0.003% *  0.3720% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 2 structures by 0.15 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.87, support = 1.95, residual support = 9.31:
          HB2   MET   96 - QD    PHE   45   5.34 +/- 0.84  79.310% * 63.6311% (0.87   2.00   9.82) =  94.887%  kept
          HB3   ASP-  76 - QD    PHE   45   7.96 +/- 0.61   7.917% * 33.8870% (0.92   1.00   0.02) =   5.044%  kept
          HG3   MET   92 - QD    PHE   45   8.37 +/- 1.19  10.155% *  0.2502% (0.34   0.02   0.02) =   0.048%
          HB2   ASP- 105 - QD    PHE   45  11.16 +/- 1.18   1.474% *  0.5327% (0.73   0.02   0.02) =   0.015%
          HB    VAL   70 - QD    PHE   45  13.53 +/- 0.65   0.350% *  0.3289% (0.45   0.02   0.02) =   0.002%
          QG    GLN   17 - QD    PHE   45  14.14 +/- 0.95   0.249% *  0.2753% (0.38   0.02   0.02) =   0.001%
          HB2   GLU-  25 - QD    PHE   45  13.79 +/- 0.72   0.295% *  0.2040% (0.28   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QD    PHE   45  17.83 +/- 1.15   0.057% *  0.7079% (0.97   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QD    PHE   45  14.73 +/- 0.67   0.192% *  0.1829% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.89 A violated in 2 structures by 0.43 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 80.3:
      O T HB3   PHE   45 - QD    PHE   45   2.37 +/- 0.15  99.865% * 99.5701% (0.80  10.0 10.00   4.93  80.26) = 100.000%  kept
          HB3   ASP-  86 - QD    PHE   45   8.70 +/- 1.04   0.054% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QD    PHE   45   8.55 +/- 1.05   0.057% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QD    PHE   45  12.18 +/- 2.02   0.020% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QD    PHE   45  16.07 +/- 0.67   0.001% *  0.1200% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QD    PHE   45  14.09 +/- 1.03   0.003% *  0.0557% (0.45   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 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.22, residual support = 80.3:
      O T HB2   PHE   45 - QD    PHE   45   2.66 +/- 0.08  99.916% * 99.8423% (0.97  10.0 10.00   4.22  80.26) = 100.000%  kept
          HB2   CYS   21 - QD    PHE   45   9.75 +/- 2.11   0.075% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - QD    PHE   45  13.74 +/- 1.60   0.010% *  0.1032% (1.00   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 99 (3.95, 6.86, 131.77 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 27.2:
          HB    THR   94 - QD    PHE   45   3.79 +/- 0.75  96.741% * 93.8952% (0.69   2.96  27.18) =  99.983%  kept
          QB    SER   85 - QD    PHE   45   9.15 +/- 0.64   0.756% *  0.8745% (0.95   0.02   0.02) =   0.007%
          QB    SER   48 - QD    PHE   45   9.88 +/- 0.71   0.637% *  0.7403% (0.80   0.02   0.02) =   0.005%
          HA    ALA   88 - QD    PHE   45   8.63 +/- 0.48   1.285% *  0.1426% (0.15   0.02   0.02) =   0.002%
          HD2   PRO   52 - QD    PHE   45  10.63 +/- 0.87   0.327% *  0.2853% (0.31   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD    PHE   45  13.59 +/- 0.51   0.072% *  0.4864% (0.53   0.02   0.02) =   0.000%
          QB    SER  117 - QD    PHE   45  13.52 +/- 1.09   0.081% *  0.2570% (0.28   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD    PHE   45  16.29 +/- 0.75   0.024% *  0.8291% (0.90   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   45  17.09 +/- 1.67   0.019% *  0.8922% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    PHE   45  17.74 +/- 0.88   0.016% *  0.8745% (0.95   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   45  17.35 +/- 1.90   0.017% *  0.5607% (0.61   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    PHE   45  16.92 +/- 0.85   0.025% *  0.1619% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 1 structures by 0.08 A, kept.
 
    Peak 100 (4.31, 6.86, 131.77 ppm):
    10 chemical-shift based assignments, quality = 0.341, support = 4.33, residual support = 19.1:
          HA    ASP-  44 - QD    PHE   45   2.92 +/- 0.55  94.209% * 82.9877% (0.34   4.35  19.14) =  99.430%  kept
          HB    THR   77 - QD    PHE   45   5.28 +/- 0.79   3.798% * 11.6617% (0.28   0.75   8.55) =   0.563%  kept
          HA    TRP   87 - QD    PHE   45   8.18 +/- 0.86   1.486% *  0.1726% (0.15   0.02   0.02) =   0.003%
          HA    ASP-  86 - QD    PHE   45   9.92 +/- 0.89   0.148% *  1.0963% (0.98   0.02   0.02) =   0.002%
          HA    SER   85 - QD    PHE   45   8.99 +/- 0.52   0.173% *  0.3110% (0.28   0.02   0.02) =   0.001%
          HA    ILE  103 - QD    PHE   45  10.67 +/- 1.02   0.161% *  0.2213% (0.20   0.02   0.02) =   0.000%
          HA    LEU  104 - QD    PHE   45  13.48 +/- 0.83   0.021% *  0.9342% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   45  19.85 +/- 1.45   0.002% *  1.1160% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   45  23.19 +/- 2.36   0.001% *  1.0794% (0.97   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   45  25.18 +/- 2.65   0.000% *  0.4198% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 4.93, residual support = 80.3:
          HA    PHE   45 - QD    PHE   45   2.84 +/- 0.45  99.155% * 96.7747% (0.25   4.93  80.26) =  99.996%  kept
          HA    MET   92 - QD    PHE   45   6.96 +/- 0.84   0.801% *  0.3923% (0.25   0.02   0.02) =   0.003%
          HA    VAL   41 - QD    PHE   45  10.92 +/- 0.36   0.039% *  1.2598% (0.80   0.02   0.02) =   0.001%
          HA    HIS  122 - QD    PHE   45  16.61 +/- 2.43   0.004% *  1.5733% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 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 = 5.54, residual support = 76.4:
          HN    PHE   45 - QD    PHE   45   2.16 +/- 0.52  91.874% * 56.1093% (0.45   5.62  80.26) =  93.612%  kept
          HN    ASP-  44 - QD    PHE   45   4.07 +/- 0.49   8.111% * 43.3683% (0.45   4.35  19.14) =   6.388%  kept
          HN    ALA  110 - QD    PHE   45  10.81 +/- 2.08   0.008% *  0.3057% (0.69   0.02   0.02) =   0.000%
          HN    GLU-  25 - QD    PHE   45  11.80 +/- 0.80   0.007% *  0.2167% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.63 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 = 80.3:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  99.996% * 99.7606% (0.98  10.0   1.00  80.26) = 100.000%  kept
          QD    PHE   72 - HZ    PHE   45  12.03 +/- 0.86   0.004% *  0.1766% (0.87   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HZ    PHE   45  19.33 +/- 1.40   0.000% *  0.0628% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 104 (6.61, 7.35, 128.88 ppm):
    3 chemical-shift based assignments, quality = 0.677, support = 3.97, residual support = 39.1:
          HN    TRP   49 - HD1   TRP   49   2.50 +/- 1.08  65.550% * 34.4964% (0.38   4.60  74.74) =  50.156%  kept
          HN    CYS   50 - HD1   TRP   49   3.06 +/- 1.43  34.433% * 65.2612% (0.98   3.33   3.19) =  49.844%  kept
          HN    VAL   83 - HD1   TRP   49  16.29 +/- 2.46   0.017% *  0.2424% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.10 A, kept.
 
    Peak 105 (11.09, 7.35, 128.88 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 2.07, residual support = 74.7:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.07  74.74) = 100.000%  kept
    Distance limit 3.51 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 = 74.7:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  99.999% * 99.8040% (0.41  10.0   1.00  74.74) = 100.000%  kept
          QD    PHE   97 - HZ2   TRP   49  18.22 +/- 1.60   0.001% *  0.0749% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HZ2   TRP   49  25.34 +/- 2.36   0.000% *  0.1211% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (11.08, 7.49, 115.54 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.0, residual support = 74.7:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  74.74) = 100.000%  kept
    Distance limit 4.36 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 = 74.7:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00 100.000% * 99.8708% (1.00  10.0   1.00  74.74) = 100.000%  kept
          HN    LYS+ 121 - HH2   TRP   49  23.84 +/- 1.73   0.000% *  0.1292% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.915, support = 1.38, residual support = 5.31:
          QG2   VAL   83 - HZ    PHE   45   3.91 +/- 1.36  50.633% * 49.7525% (0.99   1.27   3.01) =  51.054%  kept
          QD1   ILE   89 - HZ    PHE   45   3.92 +/- 1.65  48.669% * 49.6133% (0.84   1.50   7.71) =  48.937%  kept
          QD2   LEU   31 - HZ    PHE   45   8.28 +/- 1.35   0.698% *  0.6342% (0.80   0.02   0.02) =   0.009%
    Distance limit 4.53 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 = 3.83, residual support = 74.7:
      O T HB2   TRP   49 - HD1   TRP   49   3.66 +/- 0.46  99.729% * 99.5547% (0.65  10.0 10.00   3.83  74.74) = 100.000%  kept
          HA    VAL   75 - HD1   TRP   49  13.74 +/- 2.02   0.068% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HD1   TRP   49  13.51 +/- 2.44   0.084% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD1   TRP   49  15.28 +/- 3.27   0.077% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HD1   TRP   49  14.38 +/- 1.30   0.038% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HD1   TRP   49  22.14 +/- 1.56   0.003% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HD1   TRP   49  23.10 +/- 1.40   0.002% *  0.0871% (0.57   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 112 (3.15, 7.35, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 3.83, residual support = 74.7:
      O T HB3   TRP   49 - HD1   TRP   49   3.21 +/- 0.31  99.993% * 99.9191% (0.90  10.0 10.00   3.83  74.74) = 100.000%  kept
          HB3   PHE   59 - HD1   TRP   49  16.61 +/- 1.44   0.007% *  0.0809% (0.73   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 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.79, residual support = 16.0:
          QB    ALA   47 - HD1   TRP   49   2.58 +/- 1.11  99.973% * 99.0316% (0.84   3.79  16.03) = 100.000%  kept
          QG1   VAL   42 - HD1   TRP   49  16.04 +/- 1.12   0.007% *  0.4538% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HD1   TRP   49  16.09 +/- 2.69   0.013% *  0.2345% (0.38   0.02   0.02) =   0.000%
          QB    ALA   64 - HD1   TRP   49  17.00 +/- 1.04   0.007% *  0.2802% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.04 A, kept.
 
    Peak 118 (1.84, 7.49, 115.54 ppm):
    13 chemical-shift based assignments, quality = 0.866, support = 0.749, residual support = 3.48:
          HB3   PRO   52 - HZ2   TRP   49   4.58 +/- 0.86  92.541% * 69.1350% (0.87  1.00   0.75   3.48) =  99.882%  kept
          HB3   GLN   90 - HZ2   TRP   49  10.96 +/- 3.00   6.309% *  0.9529% (0.45  1.00   0.02   0.02) =   0.094%
          HG2   ARG+  54 - HZ2   TRP   49  10.36 +/- 0.84   0.818% *  1.4599% (0.69  1.00   0.02   0.02) =   0.019%
          QB    LYS+ 106 - HZ2   TRP   49  15.06 +/- 2.09   0.159% *  0.7250% (0.34  1.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - HZ2   TRP   49  14.64 +/- 2.31   0.125% *  0.7977% (0.38  1.00   0.02   0.02) =   0.002%
        T HG    LEU  123 - HZ2   TRP   49  25.42 +/- 2.24   0.004% * 18.4360% (0.87 10.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HZ2   TRP   49  21.41 +/- 1.88   0.011% *  1.3749% (0.65  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HZ2   TRP   49  21.71 +/- 1.87   0.010% *  1.2891% (0.61  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   49  22.66 +/- 2.09   0.008% *  1.5433% (0.73  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HZ2   TRP   49  23.48 +/- 1.38   0.005% *  0.9529% (0.45  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HZ2   TRP   49  22.15 +/- 0.83   0.007% *  0.5909% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   49  28.62 +/- 3.29   0.002% *  1.6243% (0.76  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   49  26.72 +/- 1.78   0.002% *  1.1182% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 1 structures by 0.41 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   4.20 +/- 0.62  99.295% * 98.0051% (0.69   2.03  16.03) =  99.997%  kept
          HG2   LYS+ 112 - HZ2   TRP   49  13.51 +/- 3.22   0.641% *  0.3498% (0.25   0.02   0.02) =   0.002%
          QG1   VAL   42 - HZ2   TRP   49  16.15 +/- 1.14   0.041% *  0.7942% (0.57   0.02   0.02) =   0.000%
          QB    ALA   64 - HZ2   TRP   49  17.65 +/- 0.76   0.023% *  0.8509% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.19 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.351, support = 0.737, residual support = 3.42:
          HG2   PRO   52 - HH2   TRP   49   4.22 +/- 0.75  78.447% * 73.0242% (0.34   0.75   3.48) =  98.175%  kept
          HG2   MET   92 - HH2   TRP   49   6.95 +/- 2.49  21.359% *  4.9520% (0.87   0.02   0.02) =   1.813%  kept
          QG    GLU- 114 - HH2   TRP   49  14.42 +/- 1.93   0.109% *  4.5712% (0.80   0.02   0.02) =   0.009%
          HB2   GLU-  79 - HH2   TRP   49  17.73 +/- 2.92   0.041% *  4.1454% (0.73   0.02   0.02) =   0.003%
          HB2   ASP-  44 - HH2   TRP   49  16.60 +/- 1.76   0.038% *  0.9998% (0.18   0.02   0.02) =   0.001%
          QG    GLU-  15 - HH2   TRP   49  26.87 +/- 1.88   0.002% *  1.4235% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HH2   TRP   49  27.76 +/- 3.02   0.002% *  1.1298% (0.20   0.02   0.02) =   0.000%
          QB    MET   11 - HH2   TRP   49  34.21 +/- 3.46   0.000% *  3.9214% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  14 - HH2   TRP   49  26.92 +/- 2.52   0.002% *  0.8808% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HH2   TRP   49  36.65 +/- 2.33   0.000% *  4.9520% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.05 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.867, support = 2.0, residual support = 3.48:
          HB3   PRO   52 - HH2   TRP   49   4.79 +/- 0.38  94.844% * 92.8146% (0.87   2.00   3.48) =  99.969%  kept
          HB3   GLN   90 - HH2   TRP   49  12.25 +/- 3.19   3.698% *  0.4797% (0.45   0.02   0.02) =   0.020%
          HG2   ARG+  54 - HH2   TRP   49  10.58 +/- 1.22   1.148% *  0.7350% (0.69   0.02   0.02) =   0.010%
          QB    LYS+  81 - HH2   TRP   49  15.96 +/- 2.71   0.167% *  0.4016% (0.38   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HH2   TRP   49  16.17 +/- 2.02   0.094% *  0.3650% (0.34   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HH2   TRP   49  22.56 +/- 1.91   0.010% *  0.6922% (0.65   0.02   0.02) =   0.000%
          HG12  ILE  103 - HH2   TRP   49  23.17 +/- 1.85   0.009% *  0.6490% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HH2   TRP   49  24.05 +/- 2.01   0.007% *  0.7770% (0.73   0.02   0.02) =   0.000%
          HG    LEU  123 - HH2   TRP   49  26.06 +/- 2.75   0.004% *  0.9281% (0.87   0.02   0.02) =   0.000%
          HB    VAL   41 - HH2   TRP   49  25.00 +/- 1.65   0.005% *  0.4797% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  66 - HH2   TRP   49  22.90 +/- 1.16   0.009% *  0.2975% (0.28   0.02   0.02) =   0.000%
          HG3   PRO   68 - HH2   TRP   49  29.65 +/- 3.20   0.002% *  0.8177% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  33 - HH2   TRP   49  28.12 +/- 2.04   0.003% *  0.5629% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 1 structures by 0.45 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 2.28, residual support = 20.5:
      O   QB    PHE   55 - QD    PHE   55   2.15 +/- 0.02  99.670% * 99.2903% (0.25  10.0   2.28  20.51) =  99.999%  kept
          HD2   ARG+  54 - QD    PHE   55   6.82 +/- 0.93   0.154% *  0.2415% (0.61   1.0   0.02   3.47) =   0.000%
          HB3   CYS   53 - QD    PHE   55   7.77 +/- 0.87   0.083% *  0.2095% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - QD    PHE   55   8.31 +/- 1.62   0.092% *  0.1358% (0.34   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   55  19.24 +/- 1.72   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.841, support = 2.06, residual support = 19.8:
          HA    PHE   55 - QD    PHE   55   2.99 +/- 0.34  94.970% * 56.4937% (0.84   2.09  20.51) =  96.283%  kept
          HA    ALA  110 - QD    PHE   55   6.83 +/- 2.55   4.889% * 42.3561% (1.00   1.31   0.18) =   3.717%  kept
          HA    VAL  107 - QD    PHE   55  11.01 +/- 1.56   0.106% *  0.2206% (0.34   0.02   0.02) =   0.000%
          HA    GLN   90 - QD    PHE   55  16.57 +/- 1.76   0.006% *  0.6242% (0.97   0.02   0.02) =   0.000%
          HA    ALA   91 - QD    PHE   55  13.40 +/- 1.95   0.024% *  0.1440% (0.22   0.02   0.02) =   0.000%
          HA    VAL   42 - QD    PHE   55  16.87 +/- 1.12   0.004% *  0.1613% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 0.597, support = 0.855, residual support = 0.724:
          QB    ALA  110 - QD    PHE   55   5.43 +/- 2.38  68.041% * 25.1828% (0.80  1.00   0.35   0.18) =  58.829%  kept
          HB3   LEU  115 - QD    PHE   55   7.33 +/- 1.56  27.277% * 43.4601% (0.31  1.00   1.59   1.52) =  40.701%  kept
        T QG    LYS+  66 - QD    PHE   55  14.39 +/- 1.19   0.435% * 16.7676% (0.95 10.00   0.02   0.02) =   0.251%
          QB    ALA   61 - QD    PHE   55   9.81 +/- 0.75   3.056% *  1.7106% (0.97  1.00   0.02   0.02) =   0.179%
        T HG    LEU   67 - QD    PHE   55  18.58 +/- 1.92   0.109% *  3.9463% (0.22 10.00   0.02   0.02) =   0.015%
          HD3   LYS+ 121 - QD    PHE   55  16.20 +/- 2.13   0.423% *  0.3508% (0.20  1.00   0.02   0.02) =   0.005%
          HB3   LEU   67 - QD    PHE   55  19.04 +/- 1.32   0.079% *  1.7725% (1.00  1.00   0.02   0.02) =   0.005%
          HG    LEU   73 - QD    PHE   55  19.16 +/- 1.01   0.080% *  1.4193% (0.80  1.00   0.02   0.02) =   0.004%
          HG    LEU   80 - QD    PHE   55  19.99 +/- 1.79   0.063% *  1.4806% (0.84  1.00   0.02   0.02) =   0.003%
          HG12  ILE   19 - QD    PHE   55  20.01 +/- 1.63   0.064% *  1.2871% (0.73  1.00   0.02   0.02) =   0.003%
          HB3   LYS+  74 - QD    PHE   55  16.74 +/- 1.11   0.187% *  0.3104% (0.18  1.00   0.02   0.02) =   0.002%
          HB2   LEU   80 - QD    PHE   55  19.34 +/- 1.58   0.087% *  0.5471% (0.31  1.00   0.02   0.02) =   0.002%
          HG    LEU   40 - QD    PHE   55  19.69 +/- 1.17   0.081% *  0.5471% (0.31  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - QD    PHE   55  25.37 +/- 1.76   0.016% *  1.2176% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 4.10 A violated in 10 structures by 1.12 A, kept.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.871, support = 0.0199, residual support = 1.18:
          QD2   LEU  115 - QD    PHE   55   6.64 +/- 1.52  80.818% *  6.9139% (0.87  1.00   0.02   1.52) =  77.527%  kept
          QD1   LEU   63 - QD    PHE   55   9.75 +/- 0.92  12.123% *  7.9528% (1.00  1.00   0.02   0.02) =  13.377%  kept
        T QD2   LEU   80 - QD    PHE   55  16.67 +/- 1.58   0.559% * 66.5753% (0.84 10.00   0.02   0.02) =   5.166%  kept
          QD2   LEU   63 - QD    PHE   55  11.47 +/- 1.04   5.332% *  4.1935% (0.53  1.00   0.02   0.02) =   3.102%  kept
          QD1   LEU   73 - QD    PHE   55  16.88 +/- 0.90   0.501% *  7.9528% (1.00  1.00   0.02   0.02) =   0.553%  kept
          QD1   LEU  104 - QD    PHE   55  18.05 +/- 1.29   0.285% *  4.8344% (0.61  1.00   0.02   0.02) =   0.191%
          QG1   VAL   83 - QD    PHE   55  17.78 +/- 1.49   0.381% *  1.5774% (0.20  1.00   0.02   0.02) =   0.083%
    Distance limit 4.28 A violated in 17 structures by 2.05 A, eliminated.
    Peak unassigned.
 
    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   5.80 +/- 2.43  99.286% * 72.5341% (0.99   0.02   0.02) =  99.728%  kept
          HB3   TRP   49 - QE    PHE   95  16.01 +/- 2.60   0.714% * 27.4659% (0.38   0.02   0.02) =   0.272%
    Distance limit 4.23 A violated in 12 structures by 1.93 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 = 0.322, support = 2.55, residual support = 38.2:
          HB    VAL  107 - QE    PHE   95   5.02 +/- 0.79  59.055% * 40.6482% (0.28  1.00   2.98  45.23) =  83.676%  kept
        T HB3   ASP-  62 - QE    PHE   95   8.40 +/- 2.22   6.604% * 28.3429% (0.57 10.00   0.10   0.02) =   6.525%  kept
        T QE    LYS+ 112 - QE    PHE   95   7.24 +/- 2.65  24.316% *  6.7350% (0.69 10.00   0.02   0.02) =   5.709%  kept
          HG3   MET   96 - QE    PHE   95   8.73 +/- 1.43   6.002% * 14.4404% (0.20  1.00   1.49  11.99) =   3.021%  kept
          HB3   PHE   45 - QE    PHE   95   8.59 +/- 1.25   3.851% *  7.9276% (0.69  1.00   0.24   1.89) =   1.064%  kept
          HB3   ASP-  86 - QE    PHE   95  15.37 +/- 1.66   0.144% *  0.9275% (0.95  1.00   0.02   0.02) =   0.005%
          HG2   GLU-  29 - QE    PHE   95  19.89 +/- 2.08   0.027% *  0.9783% (1.00  1.00   0.02   0.02) =   0.001%
    Distance limit 4.74 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 = 0.628, support = 0.458, residual support = 0.414:
          QG1   ILE   56 - QE    PHE   95   4.46 +/- 2.09  71.491% * 30.6758% (0.53   0.46   0.54) =  76.352%  kept
          QD    LYS+ 106 - QE    PHE   95   8.77 +/- 1.81  11.368% * 57.1863% (1.00   0.46   0.02) =  22.634%  kept
          HB2   LEU   73 - QE    PHE   95   9.95 +/- 2.16   3.665% *  2.3194% (0.92   0.02   0.02) =   0.296%
          HD2   LYS+ 111 - QE    PHE   95  11.40 +/- 2.24   4.103% *  1.7259% (0.69   0.02   0.02) =   0.247%
          QD    LYS+  99 - QE    PHE   95  12.84 +/- 2.45   1.847% *  2.5125% (1.00   0.02   0.02) =   0.162%
          HB3   MET   92 - QE    PHE   95   9.57 +/- 2.07   1.455% *  2.0119% (0.80   0.02   0.02) =   0.102%
          HB3   LYS+  99 - QE    PHE   95  13.13 +/- 2.64   1.918% *  1.0329% (0.41   0.02   0.02) =   0.069%
          HB2   LEU  123 - QE    PHE   95  12.17 +/- 2.58   1.875% *  1.0329% (0.41   0.02   0.02) =   0.067%
          HG3   PRO   93 - QE    PHE   95   8.54 +/- 2.08   2.049% *  0.9430% (0.38   0.02   0.02) =   0.067%
          QD    LYS+ 102 - QE    PHE   95  15.01 +/- 2.14   0.228% *  0.5594% (0.22   0.02   0.02) =   0.004%
    Distance limit 4.59 A violated in 7 structures by 0.50 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 130 (1.17, 7.33, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.66, support = 2.65, residual support = 42.9:
          QG2   VAL  107 - QE    PHE   95   4.29 +/- 1.26  73.567% * 73.6763% (0.69  1.00   2.73  45.23) =  92.295%  kept
          QG2   THR   94 - QE    PHE   95   5.69 +/- 0.94  18.947% * 23.6789% (0.34  1.00   1.77  14.88) =   7.639%  kept
          HG13  ILE  103 - QE    PHE   95  10.47 +/- 1.86   2.177% *  0.7844% (1.00  1.00   0.02   0.02) =   0.029%
          HB3   LYS+ 112 - QE    PHE   95   9.20 +/- 2.24   2.703% *  0.2950% (0.38  1.00   0.02   0.02) =   0.014%
          HG2   LYS+ 121 - QE    PHE   95  11.59 +/- 2.38   2.139% *  0.3524% (0.45  1.00   0.02   0.02) =   0.013%
        T QB    ALA   20 - QE    PHE   95  11.33 +/- 1.94   0.467% *  1.2129% (0.15 10.00   0.02   0.02) =   0.010%
    Distance limit 4.63 A violated in 1 structures by 0.24 A, kept.
 
    Peak 131 (0.58, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.88, support = 2.99, residual support = 8.01:
          QD2   LEU  115 - QE    PHE   95   4.47 +/- 2.27  56.941% * 68.2874% (0.87  1.00   3.38   9.10) =  84.611%  kept
          QD1   LEU   63 - QE    PHE   95   4.64 +/- 1.88  30.721% * 20.7122% (1.00  1.00   0.89   1.97) =  13.846%  kept
          QD2   LEU   63 - QE    PHE   95   6.05 +/- 1.94  11.193% *  6.2688% (0.53  1.00   0.51   1.97) =   1.527%  kept
        T QD2   LEU   80 - QE    PHE   95  11.44 +/- 1.23   0.106% *  3.8918% (0.84 10.00   0.02   0.02) =   0.009%
          QD1   LEU  104 - QE    PHE   95  10.64 +/- 2.52   0.576% *  0.2826% (0.61  1.00   0.02   0.02) =   0.004%
          QD1   LEU   73 - QE    PHE   95   9.30 +/- 1.97   0.326% *  0.4649% (1.00  1.00   0.02   0.02) =   0.003%
          QG1   VAL   83 - QE    PHE   95  12.14 +/- 1.33   0.137% *  0.0922% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 1 structures by 0.08 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.34, support = 1.5, residual support = 9.07:
        T QD1   LEU  115 - QE    PHE   95   4.53 +/- 2.25  74.028% * 98.8071% (0.34 10.00   1.50   9.10) =  99.673%  kept
          QB    ALA   64 - QE    PHE   95   7.05 +/- 1.84  21.146% *  1.1165% (0.57  1.00   0.10   0.02) =   0.322%
          QG1   VAL   75 - QE    PHE   95   8.70 +/- 1.00   4.825% *  0.0764% (0.20  1.00   0.02   0.02) =   0.005%
    Distance limit 4.26 A violated in 7 structures by 1.04 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 1.13, residual support = 71.5:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  99.197% * 99.6248% (0.84  10.0   1.13  71.47) = 100.000%  kept
          HN    LEU   63 - QD    PHE   60   5.11 +/- 0.44   0.800% *  0.0326% (0.15   1.0   0.02  11.80) =   0.000%
          HZ2   TRP   87 - QD    PHE   60  13.68 +/- 1.37   0.002% *  0.1893% (0.90   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD    PHE   60  15.25 +/- 1.02   0.001% *  0.1533% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 3.84, residual support = 71.5:
      O T HB3   PHE   60 - QD    PHE   60   2.50 +/- 0.16  99.848% * 99.7227% (0.73  10.0 10.00   3.84  71.47) = 100.000%  kept
          QE    LYS+  65 - QD    PHE   60   8.47 +/- 1.27   0.102% *  0.0241% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - QD    PHE   60  12.15 +/- 1.16   0.010% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    PHE   60  10.44 +/- 1.59   0.027% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   60  11.73 +/- 1.03   0.011% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  15.70 +/- 0.95   0.002% *  0.0468% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  18.68 +/- 1.18   0.001% *  0.0943% (0.69   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 138 (0.79, 7.29, 132.36 ppm):
    5 chemical-shift based assignments, quality = 0.904, support = 0.0199, residual support = 1.79:
          QD1   ILE   56 - QD    PHE   60   6.11 +/- 1.21  67.760% * 20.0170% (0.99  1.00   0.02   2.16) =  69.498%  kept
          QD2   LEU   73 - QD    PHE   60   7.44 +/- 0.75  27.977% * 16.8689% (0.84  1.00   0.02   1.20) =  24.181%  kept
        T QG1   VAL   41 - QD    PHE   60  10.73 +/- 1.04   2.987% * 35.3689% (0.18 10.00   0.02   0.02) =   5.413%  kept
          HG3   LYS+ 121 - QD    PHE   60  13.72 +/- 1.67   0.766% * 13.8726% (0.69  1.00   0.02   0.02) =   0.545%  kept
          HG    LEU   31 - QD    PHE   60  14.11 +/- 0.81   0.510% * 13.8726% (0.69  1.00   0.02   0.02) =   0.362%
    Distance limit 3.85 A violated in 16 structures by 1.76 A, eliminated.
    Peak unassigned.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.67, residual support = 2.16:
          QB    ALA   64 - QD    PHE   60   4.05 +/- 0.88 100.000% *100.0000% (0.95   1.67   2.16) = 100.000%  kept
    Distance limit 3.78 A violated in 3 structures by 0.47 A, kept.
 
    Peak 140 (8.40, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.09, residual support = 62.6:
          HN    PHE   97 - QD    PHE   97   3.23 +/- 0.65  99.809% * 99.3261% (0.97   4.09  62.56) =  99.999%  kept
          HN    LEU  115 - QD    PHE   97  10.13 +/- 1.46   0.163% *  0.4860% (0.97   0.02   0.02) =   0.001%
          HN    ASP- 113 - QD    PHE   97  13.56 +/- 1.20   0.026% *  0.0997% (0.20   0.02   0.02) =   0.000%
          HN    ALA   12 - QD    PHE   97  22.82 +/- 2.14   0.001% *  0.0882% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 0.691, support = 1.08, residual support = 1.29:
          HA    ILE  119 - QD    PHE   97   7.24 +/- 3.26  41.724% * 56.2400% (0.76   1.13   0.78) =  53.986%  kept
          HA    THR  118 - QD    PHE   97   6.63 +/- 2.49  48.933% * 40.7689% (0.61   1.03   1.90) =  45.896%  kept
          HA    VAL   75 - QD    PHE   97  13.04 +/- 0.75   3.028% *  0.6882% (0.53   0.02   0.02) =   0.048%
          HA    ALA   84 - QD    PHE   97  14.33 +/- 1.47   1.925% *  0.6367% (0.49   0.02   0.02) =   0.028%
          HA2   GLY  109 - QD    PHE   97  13.03 +/- 1.00   3.015% *  0.4038% (0.31   0.02   0.02) =   0.028%
          HD3   PRO   58 - QD    PHE   97  13.64 +/- 1.39   1.205% *  0.3637% (0.28   0.02   0.02) =   0.010%
          HB2   TRP   49 - QD    PHE   97  21.50 +/- 1.39   0.170% *  0.8986% (0.69   0.02   0.02) =   0.004%
    Distance limit 4.11 A violated in 9 structures by 1.81 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   2.47 +/- 0.15  98.014% * 99.6874% (0.90  10.0 10.00   2.44  62.56) =  99.999%  kept
          QE    LYS+ 106 - QD    PHE   97   6.26 +/- 1.23   0.858% *  0.1051% (0.95   1.0  1.00   0.02   8.72) =   0.001%
          QE    LYS+  99 - QD    PHE   97   6.21 +/- 1.36   1.053% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    PHE   97   9.45 +/- 1.86   0.069% *  0.0890% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   97  12.82 +/- 0.73   0.006% *  0.0964% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.45 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   2.45 +/- 0.16  99.968% * 99.7112% (1.00  10.0 10.00   2.74  62.56) = 100.000%  kept
          HB2   GLU- 100 - QD    PHE   97  10.71 +/- 1.13   0.018% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD    PHE   97  11.95 +/- 1.69   0.010% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD    PHE   97  14.48 +/- 1.78   0.003% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   97  17.10 +/- 0.93   0.001% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (1.10, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.786, support = 1.03, residual support = 2.18:
          QG1   VAL  107 - QD    PHE   97   5.33 +/- 0.95  82.463% * 57.1854% (0.84   0.99   2.36) =  88.534%  kept
          HG13  ILE  119 - QD    PHE   97   7.93 +/- 2.70  15.430% * 39.4461% (0.41   1.38   0.78) =  11.427%  kept
          QG1   VAL   24 - QD    PHE   97  13.54 +/- 1.70   0.582% *  1.3871% (1.00   0.02   0.02) =   0.015%
          HB3   LEU   31 - QD    PHE   97  11.98 +/- 0.80   1.086% *  0.6219% (0.45   0.02   0.02) =   0.013%
          HD3   LYS+ 112 - QD    PHE   97  14.34 +/- 1.94   0.439% *  1.3596% (0.98   0.02   0.02) =   0.011%
    Distance limit 3.87 A violated in 13 structures by 1.33 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.705, support = 3.15, residual support = 16.1:
          HB2   LEU  104 - QD    PHE   97   4.07 +/- 0.98  83.519% * 57.2273% (0.69   3.30  17.44) =  92.041%  kept
          QD1   ILE  119 - QD    PHE   97   7.71 +/- 2.30  10.403% * 36.3686% (0.95   1.52   0.78) =   7.286%  kept
          QG2   VAL  108 - QD    PHE   97   7.43 +/- 0.75   5.712% *  6.0977% (0.53   0.46   0.02) =   0.671%  kept
          HB    VAL   75 - QD    PHE   97  11.04 +/- 0.94   0.366% *  0.3064% (0.61   0.02   0.02) =   0.002%
    Distance limit 4.02 A violated in 2 structures by 0.22 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.2, support = 1.43, residual support = 1.87:
          QG2   THR  118 - QD    PHE   97   4.28 +/- 2.10  61.260% * 97.6775% (0.20   1.45   1.90) =  98.519%  kept
          QG2   VAL   70 - QD    PHE   97   4.43 +/- 1.08  38.740% *  2.3225% (0.34   0.02   0.02) =   1.481%  kept
    Distance limit 4.16 A violated in 1 structures by 0.07 A, kept.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.987, support = 0.02, residual support = 0.02:
          QB    ALA   64 - QD    PHE   97   8.70 +/- 1.45  91.916% * 85.0969% (1.00   0.02   0.02) =  98.483%  kept
          QB    ALA   47 - QD    PHE   97  13.78 +/- 0.98   8.084% * 14.9031% (0.18   0.02   0.02) =   1.517%  kept
    Distance limit 4.49 A violated in 20 structures by 4.07 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 2.92, residual support = 29.4:
          HN    LEU  115 - QD    PHE   59   5.26 +/- 1.12  88.091% * 99.0591% (0.97   2.92  29.37) =  99.966%  kept
          HN    PHE   97 - QD    PHE   59  10.75 +/- 1.88   2.352% *  0.6786% (0.97   0.02   0.02) =   0.018%
          HN    ASP- 113 - QD    PHE   59   8.01 +/- 1.23   9.535% *  0.1392% (0.20   0.02   0.02) =   0.015%
          HN    ALA   12 - QD    PHE   59  23.41 +/- 2.77   0.021% *  0.1231% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 8 structures by 0.81 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.606, support = 2.92, residual support = 56.8:
          HA    PHE   59 - QD    PHE   59   3.00 +/- 0.59  84.463% * 77.9837% (0.61   3.02  58.46) =  95.786%  kept
          HA    ILE   56 - QD    PHE   59   4.70 +/- 1.01  14.923% * 19.3857% (0.61   0.75  19.84) =   4.207%  kept
          HA    ASP- 113 - QD    PHE   59   7.69 +/- 0.99   0.537% *  0.8504% (1.00   0.02   0.02) =   0.007%
          HA    LEU  123 - QD    PHE   59  10.56 +/- 1.05   0.065% *  0.4149% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD    PHE   59  15.92 +/- 1.81   0.006% *  0.6825% (0.80   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    PHE   59  21.10 +/- 1.72   0.001% *  0.5514% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - QD    PHE   59  17.67 +/- 1.52   0.003% *  0.1315% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 0.992, support = 2.18, residual support = 19.4:
        T HA    ILE  119 - QD    PHE   59   5.14 +/- 0.89  80.047% * 56.6541% (1.00 10.00   2.25  20.46) =  88.975%  kept
        T HA    THR  118 - QD    PHE   59   7.12 +/- 0.89  13.004% * 43.1908% (0.95 10.00   1.61  11.21) =  11.020%  kept
          HA2   GLY  109 - QD    PHE   59  10.34 +/- 2.07   6.391% *  0.0390% (0.69  1.00   0.02   0.02) =   0.005%
          HB2   TRP   49 - QD    PHE   59  16.56 +/- 1.31   0.116% *  0.0557% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QD    PHE   59  16.59 +/- 1.50   0.105% *  0.0493% (0.87  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QD    PHE   59  13.74 +/- 1.66   0.337% *  0.0112% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 8 structures by 0.69 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   2.49 +/- 0.18  99.674% * 99.6982% (0.97  10.0   2.72  58.46) = 100.000%  kept
          QB    PHE   55 - QD    PHE   59   7.31 +/- 0.80   0.199% *  0.0789% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   59  11.39 +/- 2.26   0.040% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - QD    PHE   59  10.50 +/- 1.50   0.032% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - QD    PHE   59   9.28 +/- 1.04   0.045% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - QD    PHE   59  11.78 +/- 1.02   0.010% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 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   2.45 +/- 0.16  99.999% * 99.9680% (0.97  10.0   3.15  58.46) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  16.94 +/- 1.13   0.001% *  0.0320% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 153 (2.35, 7.19, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.891, support = 2.69, residual support = 28.8:
          HB2   PRO   58 - QD    PHE   59   5.95 +/- 0.63  51.015% * 68.0756% (0.99   2.95  40.30) =  71.073%  kept
          HB2   GLN  116 - QD    PHE   59   6.15 +/- 0.89  45.257% * 31.2017% (0.65   2.07   0.55) =  28.899%  kept
          HB3   PHE   97 - QD    PHE   59  10.49 +/- 2.16   3.677% *  0.3735% (0.80   0.02   0.02) =   0.028%
          HB2   GLU- 100 - QD    PHE   59  20.02 +/- 1.64   0.038% *  0.2454% (0.53   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QD    PHE   59  23.91 +/- 1.82   0.013% *  0.1038% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 10 structures by 0.89 A, kept.
 
    Peak 154 (1.72, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 1.97, residual support = 19.8:
        T QG1   ILE   56 - QD    PHE   59   3.24 +/- 0.63  99.684% * 99.7160% (0.97 10.00   1.97  19.84) = 100.000%  kept
          QD    LYS+ 106 - QD    PHE   59  10.81 +/- 1.23   0.173% *  0.0357% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD    PHE   59  15.47 +/- 1.83   0.023% *  0.1045% (1.00  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD    PHE   59  12.81 +/- 1.69   0.077% *  0.0207% (0.20  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD    PHE   59  14.68 +/- 1.50   0.030% *  0.0393% (0.38  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD    PHE   59  15.44 +/- 1.60   0.014% *  0.0838% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 0.56, support = 2.48, residual support = 29.4:
          HB3   LEU  115 - QD    PHE   59   3.35 +/- 1.40  55.242% * 71.3421% (0.65   2.36  29.37) =  82.315%  kept
          HG    LEU  115 - QD    PHE   59   3.84 +/- 1.17  38.309% * 22.0214% (0.15   3.05  29.37) =  17.620%  kept
          QB    ALA   61 - QD    PHE   59   5.97 +/- 0.50   2.958% *  0.6432% (0.69   0.02   0.32) =   0.040%
          QG    LYS+  66 - QD    PHE   59   8.16 +/- 1.00   0.645% *  0.9036% (0.97   0.02   0.02) =   0.012%
          QB    ALA  120 - QD    PHE   59   7.05 +/- 0.71   2.337% *  0.1445% (0.15   0.02   0.02) =   0.007%
          QB    ALA  110 - QD    PHE   59   8.09 +/- 1.95   0.200% *  0.4198% (0.45   0.02   0.02) =   0.002%
          HB3   LEU   67 - QD    PHE   59  11.20 +/- 0.91   0.078% *  0.7821% (0.84   0.02   0.02) =   0.001%
          HG    LEU   67 - QD    PHE   59  10.86 +/- 1.52   0.089% *  0.4926% (0.53   0.02   0.02) =   0.001%
          HG    LEU   73 - QD    PHE   59  12.92 +/- 1.79   0.041% *  0.9342% (1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QD    PHE   59  12.28 +/- 1.76   0.046% *  0.6057% (0.65   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD    PHE   59  14.26 +/- 2.04   0.045% *  0.3514% (0.38   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    PHE   59  17.23 +/- 1.91   0.006% *  0.4558% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   59  19.60 +/- 1.93   0.002% *  0.9036% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.73 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 = 0.497, support = 2.69, residual support = 16.5:
        T HG13  ILE  119 - QD    PHE   59   3.42 +/- 0.93  58.380% * 69.4496% (0.41 10.00   3.28  20.46) =  79.616%  kept
        T QG1   VAL  107 - QD    PHE   59   4.54 +/- 1.35  34.401% * 30.1402% (0.84 10.00   0.43   1.18) =  20.360%  kept
          HD3   LYS+ 112 - QD    PHE   59   6.91 +/- 1.49   7.209% *  0.1656% (0.98  1.00   0.02   0.02) =   0.023%
          QG1   VAL   24 - QD    PHE   59  16.43 +/- 2.08   0.007% *  0.1689% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    PHE   59  19.10 +/- 1.78   0.003% *  0.0757% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.11 A, kept.
 
    Peak 157 (0.82, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.901, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   8.37 +/- 1.58  71.288% * 60.0043% (0.98   0.02   0.02) =  87.279%  kept
          HG3   LYS+ 121 - QD    PHE   59  10.51 +/- 0.92  22.630% * 22.9752% (0.38   0.02   0.02) =  10.609%  kept
          HB3   LEU  104 - QD    PHE   59  13.60 +/- 1.55   6.082% * 17.0205% (0.28   0.02   0.02) =   2.112%  kept
    Distance limit 4.49 A violated in 19 structures by 3.32 A, eliminated.
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.973, support = 4.32, residual support = 25.9:
          QD2   LEU  115 - QD    PHE   59   2.74 +/- 1.15  58.851% * 81.5187% (0.98   4.77  29.37) =  87.799%  kept
          QD1   LEU   63 - QD    PHE   59   3.10 +/- 1.08  38.506% * 17.3062% (0.92   1.08   0.59) =  12.196%  kept
          QD2   LEU   63 - QD    PHE   59   4.83 +/- 1.04   2.625% *  0.1189% (0.34   0.02   0.59) =   0.006%
          QD1   LEU   73 - QD    PHE   59  11.82 +/- 1.69   0.008% *  0.3218% (0.92   0.02   0.02) =   0.000%
          QD1   LEU  104 - QD    PHE   59  12.40 +/- 1.65   0.006% *  0.2791% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD    PHE   59  14.02 +/- 1.62   0.003% *  0.3364% (0.97   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD    PHE   59  15.12 +/- 1.65   0.002% *  0.1189% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 4.47, residual support = 29.4:
        T QD1   LEU  115 - QD    PHE   59   3.45 +/- 0.94  95.293% * 99.9042% (0.84 10.00   4.47  29.37) =  99.999%  kept
          QB    ALA   64 - QD    PHE   59   6.92 +/- 0.63   4.450% *  0.0185% (0.15  1.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - QD    PHE   59  11.21 +/- 1.70   0.257% *  0.0774% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 1 structures by 0.12 A, kept.
 
    Peak 160 (4.14, 7.26, 128.86 ppm):
    8 chemical-shift based assignments, quality = 0.725, support = 1.5, residual support = 29.3:
        T HA    LEU  115 - QE    PHE   59   3.50 +/- 0.83  95.862% * 91.6660% (0.73 10.00   1.50  29.37) =  99.809%  kept
          HA    GLU- 114 - QE    PHE   59   7.14 +/- 0.78   2.244% *  7.4100% (1.00  1.00   0.88   0.02) =   0.189%
        T HA    ARG+  54 - QE    PHE   59  10.61 +/- 1.43   0.308% *  0.3331% (0.20 10.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QE    PHE   59   8.77 +/- 1.86   1.549% *  0.0295% (0.18  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - QE    PHE   59  17.18 +/- 2.59   0.016% *  0.1460% (0.87  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QE    PHE   59  18.01 +/- 2.44   0.009% *  0.1650% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    PHE   59  18.78 +/- 2.67   0.007% *  0.1156% (0.69  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QE    PHE   59  19.94 +/- 2.65   0.005% *  0.1348% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.06 A, kept.
 
    Peak 161 (3.88, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.78, residual support = 11.2:
        T HB    THR  118 - QE    PHE   59   3.58 +/- 1.33  99.873% * 99.7330% (0.95 10.00   1.78  11.21) = 100.000%  kept
          HA    ILE   89 - QE    PHE   59  14.66 +/- 2.33   0.058% *  0.0720% (0.61  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QE    PHE   59  15.67 +/- 2.49   0.037% *  0.0533% (0.45  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QE    PHE   59  18.95 +/- 2.57   0.012% *  0.0720% (0.61  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QE    PHE   59  19.36 +/- 1.65   0.014% *  0.0488% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  21.11 +/- 2.69   0.007% *  0.0208% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 4 structures by 0.33 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.771, support = 0.584, residual support = 1.45:
          HB    VAL  107 - QE    PHE   59   4.84 +/- 2.33  60.607% * 63.7189% (0.80   0.60   1.18) =  86.803%  kept
          QE    LYS+ 112 - QE    PHE   59   6.76 +/- 1.35  18.982% * 15.8422% (1.00   0.12   0.02) =   6.759%  kept
          HB3   ASP-  62 - QE    PHE   59   6.50 +/- 1.11  19.820% * 14.3749% (0.14   0.81   6.49) =   6.404%  kept
          HB3   PHE   45 - QE    PHE   59  11.13 +/- 2.59   0.552% *  2.6284% (1.00   0.02   0.02) =   0.033%
          HB3   ASP-  86 - QE    PHE   59  18.40 +/- 2.65   0.020% *  1.1810% (0.45   0.02   0.02) =   0.001%
          HG2   GLU-  29 - QE    PHE   59  22.41 +/- 2.67   0.007% *  1.5977% (0.61   0.02   0.02) =   0.000%
          QG    GLN   32 - QE    PHE   59  20.45 +/- 2.33   0.012% *  0.6569% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.90 A violated in 0 structures by 0.08 A, kept.
 
    Peak 163 (2.27, 7.26, 128.86 ppm):
    9 chemical-shift based assignments, quality = 0.724, support = 4.2, residual support = 20.4:
          HG12  ILE  119 - QE    PHE   59   3.06 +/- 0.56  96.641% * 87.8289% (0.73   4.21  20.46) =  99.686%  kept
          HB2   ASP-  44 - QE    PHE   59   7.79 +/- 2.63   2.859% *  9.2760% (0.99   0.33   0.02) =   0.311%
          HB3   PHE   72 - QE    PHE   59   9.39 +/- 2.07   0.337% *  0.5733% (1.00   0.02   0.02) =   0.002%
          HG3   MET   92 - QE    PHE   59  12.62 +/- 2.32   0.127% *  0.1433% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  15 - QE    PHE   59  14.67 +/- 1.26   0.015% *  0.5436% (0.95   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    PHE   59  16.18 +/- 1.97   0.012% *  0.5632% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   59  16.69 +/- 1.59   0.007% *  0.5733% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   59  20.70 +/- 2.72   0.002% *  0.1960% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   59  22.56 +/- 2.81   0.001% *  0.3023% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 164 (1.11, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.27, residual support = 15.0:
          HG13  ILE  119 - QE    PHE   59   3.61 +/- 0.93  42.655% * 75.2230% (0.73   3.91  20.46) =  71.622%  kept
          QG1   VAL  107 - QE    PHE   59   3.61 +/- 1.60  54.556% * 23.2773% (0.53   1.67   1.18) =  28.347%  kept
          HD3   LYS+ 112 - QE    PHE   59   8.01 +/- 1.81   2.768% *  0.5019% (0.95   0.02   0.02) =   0.031%
          QB    ALA   20 - QE    PHE   59  13.08 +/- 1.90   0.015% *  0.1323% (0.25   0.02   0.02) =   0.000%
          QG1   VAL   24 - QE    PHE   59  16.09 +/- 2.89   0.003% *  0.4602% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - QE    PHE   59  18.15 +/- 2.58   0.002% *  0.4054% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.02 A, kept.
 
    Peak 165 (0.60, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.785, support = 2.37, residual support = 22.4:
        T QD2   LEU  115 - QE    PHE   59   3.30 +/- 1.15  42.507% * 79.6567% (0.87 10.00   2.88  29.37) =  75.854%  kept
        T QD1   LEU   63 - QE    PHE   59   3.07 +/- 1.47  57.406% * 18.7752% (0.53 10.00   0.78   0.59) =  24.145%  kept
        T QD1   LEU  104 - QE    PHE   59  11.14 +/- 1.93   0.015% *  0.9163% (1.00 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QE    PHE   59  11.34 +/- 2.49   0.016% *  0.4831% (0.53 10.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QE    PHE   59  11.16 +/- 2.04   0.042% *  0.0161% (0.18  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QE    PHE   59  13.80 +/- 2.46   0.008% *  0.0824% (0.90  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QE    PHE   59  14.65 +/- 2.43   0.006% *  0.0702% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 28.7:
          QD1   LEU  115 - QE    PHE   59   4.47 +/- 0.81  90.335% * 79.7083% (0.45   2.96  29.37) =  97.784%  kept
          QB    ALA   64 - QE    PHE   59   7.44 +/- 0.91   8.152% * 19.9574% (0.45   0.74   0.02) =   2.209%  kept
          QG1   VAL   75 - QE    PHE   59  11.05 +/- 2.62   1.513% *  0.3343% (0.28   0.02   0.02) =   0.007%
    Distance limit 4.45 A violated in 1 structures by 0.30 A, kept.
 
    Peak 167 (0.24, 7.26, 128.86 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.05, residual support = 11.2:
          QG2   THR  118 - QE    PHE   59   3.10 +/- 1.57 100.000% *100.0000% (0.80   4.05  11.21) = 100.000%  kept
    Distance limit 4.34 A violated in 2 structures by 0.30 A, kept.
 
    Peak 168 (7.28, 7.63, 131.92 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 1.13, residual support = 71.5:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  98.448% * 99.6784% (0.99  10.0   1.13  71.47) =  99.999%  kept
          QE    PHE   59 - QE    PHE   60   6.82 +/- 2.01   1.521% *  0.0495% (0.28   1.0   0.02  19.15) =   0.001%
          HN    LYS+  66 - QE    PHE   60   8.98 +/- 1.06   0.030% *  0.1360% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QE    PHE   60  15.32 +/- 0.87   0.001% *  0.1360% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 169 (2.26, 7.63, 131.92 ppm):
    10 chemical-shift based assignments, quality = 0.842, support = 2.19, residual support = 6.41:
          HB3   PHE   72 - QE    PHE   60   4.12 +/- 1.88  42.903% * 77.3186% (0.87   2.65   7.78) =  75.703%  kept
          HB2   ASP-  44 - QE    PHE   60   3.43 +/- 0.84  55.151% * 19.2838% (0.76   0.75   2.17) =  24.271%  kept
          HG12  ILE  119 - QE    PHE   60   8.88 +/- 1.70   1.207% *  0.6596% (0.98   0.02   0.02) =   0.018%
          QG    GLU-  14 - QE    PHE   60  11.65 +/- 2.12   0.293% *  0.5388% (0.80   0.02   0.02) =   0.004%
          QG    GLU-  15 - QE    PHE   60  10.70 +/- 1.59   0.159% *  0.4353% (0.65   0.02   0.02) =   0.002%
          HG3   MET   92 - QE    PHE   60  12.89 +/- 2.13   0.141% *  0.3810% (0.57   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QE    PHE   60  11.78 +/- 1.37   0.090% *  0.1498% (0.22   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    PHE   60  14.76 +/- 1.41   0.021% *  0.6211% (0.92   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   60  14.87 +/- 1.49   0.015% *  0.4622% (0.69   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   60  18.11 +/- 2.99   0.019% *  0.1498% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 170 (1.38, 7.63, 131.92 ppm):
    14 chemical-shift based assignments, quality = 0.978, support = 1.84, residual support = 5.84:
          HB    VAL   42 - QE    PHE   60   6.17 +/- 2.10  35.538% * 56.3761% (1.00  1.00   2.00   6.76) =  84.067%  kept
          HB3   LEU   73 - QE    PHE   60   7.12 +/- 1.23   9.293% * 32.6506% (0.98  1.00   1.18   1.20) =  12.732%  kept
          HB3   LYS+  74 - QE    PHE   60   6.35 +/- 1.26  21.303% *  2.2258% (0.25  1.00   0.32   0.02) =   1.990%  kept
          HG3   LYS+  65 - QE    PHE   60   9.24 +/- 1.88   5.356% *  4.1474% (1.00  1.00   0.15   0.02) =   0.932%  kept
          HB3   PRO   93 - QE    PHE   60   7.74 +/- 2.14  22.161% *  0.1571% (0.28  1.00   0.02   0.02) =   0.146%
          HB2   LYS+ 112 - QE    PHE   60  13.07 +/- 2.76   3.802% *  0.5216% (0.92  1.00   0.02   0.02) =   0.083%
        T QB    ALA   84 - QE    PHE   60  12.10 +/- 0.93   0.377% *  1.4089% (0.25 10.00   0.02   0.02) =   0.022%
          QB    ALA   12 - QE    PHE   60  14.73 +/- 2.87   0.433% *  0.4318% (0.76  1.00   0.02   0.02) =   0.008%
          QB    LEU   98 - QE    PHE   60  10.88 +/- 1.78   0.621% *  0.2750% (0.49  1.00   0.02   0.02) =   0.007%
          HG3   LYS+ 106 - QE    PHE   60  12.66 +/- 1.48   0.277% *  0.4719% (0.84  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  33 - QE    PHE   60  14.39 +/- 1.53   0.136% *  0.5638% (1.00  1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - QE    PHE   60  11.52 +/- 2.21   0.522% *  0.0990% (0.18  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QE    PHE   60  14.43 +/- 2.03   0.150% *  0.1258% (0.22  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QE    PHE   60  18.15 +/- 2.10   0.030% *  0.5453% (0.97  1.00   0.02   0.02) =   0.001%
    Distance limit 4.69 A violated in 6 structures by 0.59 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.248, support = 0.02, residual support = 2.01:
        T QD1   ILE   56 - QE    PHE   60   7.27 +/- 2.31  85.454% * 54.5438% (0.20 10.00   0.02   2.16) =  92.891%  kept
          QD2   LEU  123 - QE    PHE   60  11.84 +/- 2.04  12.084% * 25.4425% (0.92  1.00   0.02   0.02) =   6.127%  kept
          HG3   LYS+ 121 - QE    PHE   60  14.78 +/- 1.93   2.462% * 20.0137% (0.73  1.00   0.02   0.02) =   0.982%  kept
    Distance limit 4.90 A violated in 16 structures by 2.46 A, eliminated.
    Peak unassigned.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.531, support = 1.72, residual support = 4.99:
          QG1   VAL   42 - QE    PHE   60   3.61 +/- 1.97  69.463% * 38.6875% (0.34   2.00   6.76) =  61.518%  kept
          QB    ALA   64 - QE    PHE   60   4.31 +/- 1.50  27.622% * 60.8040% (0.84   1.28   2.16) =  38.448%  kept
          QB    ALA   47 - QE    PHE   60   9.23 +/- 1.48   2.915% *  0.5085% (0.45   0.02   0.02) =   0.034%
    Distance limit 4.50 A violated in 1 structures by 0.11 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.839, support = 1.86, residual support = 3.7:
          HB2   ASP-  44 - QD    PHE   60   3.75 +/- 0.78  72.296% * 44.7875% (0.87   1.70   2.17) =  72.683%  kept
          HB3   PHE   72 - QD    PHE   60   4.94 +/- 0.89  23.047% * 52.7557% (0.76   2.28   7.78) =  27.293%  kept
          HG12  ILE  119 - QD    PHE   60   7.29 +/- 1.50   4.130% *  0.2066% (0.34   0.02   0.02) =   0.019%
          QG    GLU-  15 - QD    PHE   60  11.24 +/- 1.12   0.157% *  0.5729% (0.95   0.02   0.02) =   0.002%
          QG    GLU-  14 - QD    PHE   60  12.40 +/- 1.60   0.136% *  0.5059% (0.84   0.02   0.02) =   0.002%
          HG2   MET   92 - QD    PHE   60  12.49 +/- 1.77   0.192% *  0.1061% (0.18   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   60  15.03 +/- 0.88   0.023% *  0.4160% (0.69   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   60  18.93 +/- 2.54   0.014% *  0.5432% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QD    PHE   60  20.00 +/- 1.41   0.003% *  0.1061% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.02, residual support = 90.9:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  99.996% * 99.8968% (0.87  10.0   3.02  90.91) = 100.000%  kept
          HD22  ASN   28 - QD    PHE   72  14.24 +/- 0.45   0.002% *  0.0745% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QD    PHE   72  13.79 +/- 1.14   0.002% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.754, support = 2.63, residual support = 7.62:
          QD    PHE   60 - QD    PHE   72   4.18 +/- 1.41  84.266% * 88.4846% (0.76   2.67   7.78) =  97.953%  kept
          HN    LYS+  66 - QD    PHE   72   6.34 +/- 0.46  15.165% * 10.2666% (0.28   0.85   0.17) =   2.045%  kept
          HE3   TRP   27 - QD    PHE   72  10.72 +/- 0.73   0.483% *  0.2165% (0.25   0.02   0.02) =   0.001%
          HN    LYS+  81 - QD    PHE   72  18.19 +/- 0.65   0.019% *  0.8604% (0.99   0.02   0.02) =   0.000%
          QD    PHE   55 - QD    PHE   72  14.36 +/- 0.86   0.066% *  0.1718% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 2 structures by 0.31 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.295, support = 2.06, residual support = 9.72:
          QE    PHE   60 - QD    PHE   72   3.96 +/- 2.11  80.372% * 46.8813% (0.18   2.42   7.78) =  80.820%  kept
          HN    LEU   63 - QD    PHE   72   6.00 +/- 0.64  19.157% * 46.6412% (0.80   0.53  17.92) =  19.165%  kept
          HD21  ASN   28 - QD    PHE   72  14.11 +/- 1.20   0.125% *  1.9846% (0.90   0.02   0.02) =   0.005%
          HN    ILE   56 - QD    PHE   72  13.03 +/- 0.98   0.138% *  1.5200% (0.69   0.02   0.02) =   0.004%
          HZ2   TRP   87 - QD    PHE   72  13.71 +/- 1.30   0.127% *  1.6069% (0.73   0.02   0.02) =   0.004%
          HN    LYS+ 111 - QD    PHE   72  16.08 +/- 2.71   0.048% *  0.6830% (0.31   0.02   0.02) =   0.001%
          HN    ALA   84 - QD    PHE   72  17.04 +/- 0.78   0.033% *  0.6830% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 2 structures by 0.22 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.55, residual support = 90.9:
          HN    PHE   72 - QD    PHE   72   2.84 +/- 0.26  99.979% * 99.8212% (0.98   5.55  90.91) = 100.000%  kept
          HN    LEU  104 - QD    PHE   72  12.11 +/- 0.74   0.021% *  0.1788% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 1.89, residual support = 90.9:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  53.190% * 52.6465% (0.76  10.0 10.00   1.00  90.91) =  55.837%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  46.805% * 47.3200% (0.69  10.0 10.00   3.02  90.91) =  44.163%  kept
          QE    PHE   45 - QE    PHE   72  10.98 +/- 1.23   0.004% *  0.0335% (0.49   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 179 (7.30, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.667, support = 0.872, residual support = 6.26:
          QD    PHE   60 - QE    PHE   72   4.71 +/- 2.03  60.161% * 70.3493% (0.76   0.87   7.78) =  80.052%  kept
          HN    LYS+  66 - QE    PHE   72   5.12 +/- 0.54  39.657% * 26.5918% (0.28   0.90   0.17) =  19.946%  kept
          HE3   TRP   27 - QE    PHE   72  12.53 +/- 0.83   0.123% *  0.5303% (0.25   0.02   0.02) =   0.001%
          QD    PHE   55 - QE    PHE   72  14.16 +/- 1.44   0.052% *  0.4209% (0.20   0.02   0.02) =   0.000%
          HN    LYS+  81 - QE    PHE   72  19.95 +/- 0.95   0.008% *  2.1078% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 2 structures by 0.19 A, kept.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.0, residual support = 90.9:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  99.999% * 99.8250% (1.00  10.0   1.00  90.91) = 100.000%  kept
          HN    ALA   47 - HZ    PHE   72  17.86 +/- 1.62   0.000% *  0.1133% (0.57   1.0   0.02   0.02) =   0.000%
          HD22  ASN   28 - HZ    PHE   72  18.83 +/- 0.57   0.000% *  0.0618% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (5.29, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.56, residual support = 90.9:
          HA    PHE   72 - QD    PHE   72   2.79 +/- 0.32  99.941% * 99.8336% (0.90   4.56  90.91) = 100.000%  kept
          HA    MET   96 - QD    PHE   72  10.16 +/- 0.65   0.059% *  0.1664% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.63 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 = 0.412, support = 0.02, residual support = 0.02:
          HA    PHE   45 - QD    PHE   72  10.42 +/- 0.97  70.829% *  9.9133% (0.22   0.02   0.02) =  51.968%  kept
          HA    THR   23 - QD    PHE   72  13.66 +/- 1.10  15.355% * 28.8048% (0.65   0.02   0.02) =  32.737%  kept
          HA    ASP-  78 - QD    PHE   72  18.39 +/- 0.59   2.361% * 41.1037% (0.92   0.02   0.02) =   7.183%  kept
          HB    THR   23 - QD    PHE   72  15.48 +/- 0.97   7.031% *  7.7981% (0.18   0.02   0.02) =   4.058%  kept
          HA    LEU   80 - QD    PHE   72  16.59 +/- 0.60   4.424% * 12.3802% (0.28   0.02   0.02) =   4.053%  kept
    Distance limit 4.60 A violated in 20 structures by 5.20 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.561, support = 3.79, residual support = 64.3:
        T HA    ALA   64 - QD    PHE   72   3.22 +/- 0.32  17.684% * 82.2895% (0.92   1.0 10.00   3.11  37.84) =  50.061%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.45 +/- 0.16  82.285% * 17.6413% (0.20  10.0 10.00   4.48  90.91) =  49.938%  kept
          QE    LYS+  66 - QD    PHE   72   9.63 +/- 0.88   0.029% *  0.0222% (0.25   1.0  1.00   0.02   0.17) =   0.000%
          HB3   ASN   35 - QD    PHE   72  15.06 +/- 0.88   0.002% *  0.0469% (0.53   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 184 (2.27, 6.69, 132.41 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.74, residual support = 90.9:
      O T HB3   PHE   72 - QD    PHE   72   2.46 +/- 0.18  97.287% * 99.4111% (0.98  10.0 10.00   4.74  90.91) =  99.997%  kept
          HB2   ASP-  44 - QD    PHE   72   5.75 +/- 1.25   1.538% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - QD    PHE   72   6.87 +/- 1.66   0.934% *  0.0847% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QD    PHE   72   9.33 +/- 2.01   0.183% *  0.0959% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QD    PHE   72   9.34 +/- 1.56   0.048% *  0.0880% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD    PHE   72  13.71 +/- 1.19   0.005% *  0.0494% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  15.25 +/- 2.06   0.004% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   72  17.88 +/- 0.86   0.001% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  17.10 +/- 1.30   0.001% *  0.0381% (0.38   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 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.799, support = 0.996, residual support = 6.39:
        T HB    VAL   42 - QD    PHE   72   3.75 +/- 0.63  93.493% * 65.2529% (0.80 10.00   0.95   5.94) =  98.601%  kept
          HB3   LEU   73 - QD    PHE   72   7.03 +/- 0.36   2.776% * 29.1670% (0.73  1.00   4.68  40.99) =   1.308%  kept
          HG3   LYS+  65 - QD    PHE   72   7.89 +/- 0.87   1.470% *  3.6214% (0.80  1.00   0.53   0.02) =   0.086%
          HB3   LYS+  74 - QD    PHE   72   8.31 +/- 0.54   1.064% *  0.0973% (0.57  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QD    PHE   72   9.66 +/- 0.72   0.389% *  0.1435% (0.84  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD    PHE   72  10.96 +/- 1.46   0.311% *  0.1490% (0.87  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD    PHE   72  12.11 +/- 1.60   0.245% *  0.1703% (0.99  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 112 - QD    PHE   72  15.79 +/- 1.31   0.029% *  1.0421% (0.61 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    PHE   72  13.41 +/- 2.05   0.093% *  0.0904% (0.53  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD    PHE   72  13.14 +/- 0.99   0.074% *  0.0836% (0.49  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   72  14.46 +/- 0.80   0.041% *  0.0645% (0.38  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   72  16.86 +/- 0.98   0.015% *  0.1180% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.05 A, kept.
 
    Peak 186 (1.00, 6.69, 132.41 ppm):
    8 chemical-shift based assignments, quality = 0.419, support = 1.45, residual support = 32.1:
        T QD1   LEU   67 - QD    PHE   72   4.10 +/- 1.27  79.930% * 60.6965% (0.41 10.00   1.50  34.55) =  92.981%  kept
        T QD1   ILE  119 - QD    PHE   72   7.55 +/- 1.84   9.406% * 38.8382% (0.53 10.00   0.75   0.02) =   7.001%  kept
          QD2   LEU   40 - QD    PHE   72   7.27 +/- 0.71   6.737% *  0.0883% (0.45  1.00   0.02   0.02) =   0.011%
          HB    VAL   75 - QD    PHE   72   9.84 +/- 0.79   1.013% *  0.1930% (0.98  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  74 - QD    PHE   72   8.86 +/- 1.14   1.837% *  0.0438% (0.22  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - QD    PHE   72  11.62 +/- 0.64   0.359% *  0.0608% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QD    PHE   72  11.48 +/- 0.86   0.344% *  0.0491% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD    PHE   72  12.40 +/- 1.24   0.376% *  0.0304% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 1 structures by 0.19 A, kept.
 
    Peak 187 (0.79, 6.69, 132.41 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 5.92, residual support = 41.0:
          QD2   LEU   73 - QD    PHE   72   4.77 +/- 0.22  85.301% * 99.0154% (0.95   5.92  40.99) =  99.983%  kept
          QG1   VAL   43 - QD    PHE   72   7.16 +/- 0.61   8.632% *  0.0546% (0.15   0.02   0.02) =   0.006%
          QG1   VAL   41 - QD    PHE   72   7.97 +/- 0.47   4.257% *  0.0983% (0.28   0.02   0.02) =   0.005%
          QD1   ILE   56 - QD    PHE   72  10.13 +/- 0.88   1.157% *  0.3504% (0.99   0.02   0.02) =   0.005%
          HG    LEU   31 - QD    PHE   72  11.79 +/- 0.85   0.419% *  0.2953% (0.84   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QD    PHE   72  13.56 +/- 1.60   0.234% *  0.1860% (0.53   0.02   0.02) =   0.001%
    Distance limit 4.63 A violated in 0 structures by 0.17 A, kept.
 
    Peak 188 (0.41, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.92, residual support = 37.8:
        T QB    ALA   64 - QD    PHE   72   2.46 +/- 0.33  99.950% * 99.9781% (0.80 10.00   4.92  37.84) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   72   9.76 +/- 1.64   0.050% *  0.0219% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 2.76, residual support = 42.5:
        T QG2   VAL   70 - QD    PHE   72   2.89 +/- 0.60 100.000% *100.0000% (0.65 10.00   2.76  42.46) = 100.000%  kept
    Distance limit 4.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 190 (2.86, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.01, residual support = 37.8:
        T HA    ALA   64 - QE    PHE   72   2.63 +/- 0.37  99.630% * 99.5248% (0.38 10.00   4.01  37.84) =  99.999%  kept
          QE    LYS+  66 - QE    PHE   72   8.17 +/- 0.94   0.367% *  0.2123% (0.80  1.00   0.02   0.17) =   0.001%
          HB3   ASN   35 - QE    PHE   72  15.93 +/- 1.07   0.003% *  0.2628% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 3.97, residual support = 42.5:
        T HB    VAL   70 - QE    PHE   72   2.42 +/- 0.59  99.369% * 98.7668% (0.99 10.00   3.97  42.46) =  99.995%  kept
        T QG    GLN   17 - QE    PHE   72   7.35 +/- 1.09   0.482% *  0.9617% (0.97 10.00   0.02   0.02) =   0.005%
          HB2   MET   96 - QE    PHE   72  10.31 +/- 1.28   0.071% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   72  10.71 +/- 1.38   0.063% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   72  14.05 +/- 1.49   0.005% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QE    PHE   72  18.00 +/- 1.16   0.001% *  0.0894% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QE    PHE   72  16.25 +/- 0.92   0.003% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  13.93 +/- 1.14   0.006% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.02 A, kept.
 
    Peak 192 (1.99, 6.99, 130.46 ppm):
    10 chemical-shift based assignments, quality = 0.446, support = 3.07, residual support = 34.4:
        T HB2   LEU   67 - QE    PHE   72   2.89 +/- 0.89  88.079% * 91.8147% (0.45 10.00   3.09  34.55) =  99.552%  kept
          HG2   PRO   68 - QE    PHE   72   6.63 +/- 1.30   4.890% *  7.3749% (0.80  1.00   0.90   0.02) =   0.444%
          QB    GLU-  15 - QE    PHE   72   7.30 +/- 1.67   3.557% *  0.0359% (0.18  1.00   0.02   0.02) =   0.002%
          HB    VAL   18 - QE    PHE   72   6.24 +/- 1.03   2.718% *  0.0456% (0.22  1.00   0.02   5.16) =   0.002%
          HB    ILE   19 - QE    PHE   72   8.85 +/- 1.23   0.324% *  0.1487% (0.73  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QE    PHE   72   8.11 +/- 1.10   0.331% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QE    PHE   72  11.53 +/- 2.00   0.049% *  0.1711% (0.84  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QE    PHE   72  12.49 +/- 1.21   0.028% *  0.1776% (0.87  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QE    PHE   72  12.88 +/- 1.91   0.021% *  0.1325% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    PHE   72  18.64 +/- 1.02   0.003% *  0.0632% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 1 structures by 0.12 A, kept.
 
    Peak 193 (1.41, 6.99, 130.46 ppm):
    11 chemical-shift based assignments, quality = 0.372, support = 3.05, residual support = 33.9:
          HB3   LEU   67 - QE    PHE   72   3.21 +/- 0.87  87.011% * 73.0401% (0.38   3.09  34.55) =  98.023%  kept
          QG    LYS+  66 - QE    PHE   72   6.71 +/- 0.94   6.648% * 18.5274% (0.22   1.32   0.17) =   1.900%  kept
          QB    ALA   61 - QE    PHE   72   6.44 +/- 1.00   3.801% *  0.6636% (0.53   0.02   0.02) =   0.039%
          HG12  ILE   19 - QE    PHE   72   8.33 +/- 2.15   0.998% *  1.0536% (0.84   0.02   0.02) =   0.016%
          QB    ALA  110 - QE    PHE   72  13.63 +/- 2.85   1.044% *  0.9640% (0.76   0.02   0.02) =   0.016%
          HB3   LYS+  74 - QE    PHE   72  10.40 +/- 0.57   0.126% *  1.1312% (0.90   0.02   0.02) =   0.002%
          QB    LEU   98 - QE    PHE   72  10.15 +/- 0.71   0.147% *  0.8160% (0.65   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QE    PHE   72  12.01 +/- 2.29   0.100% *  1.1644% (0.92   0.02   0.02) =   0.002%
          QB    ALA   12 - QE    PHE   72  12.99 +/- 1.76   0.107% *  0.4734% (0.38   0.02   0.02) =   0.001%
          HB2   LEU   80 - QE    PHE   72  16.25 +/- 1.06   0.008% *  1.2502% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    PHE   72  16.12 +/- 0.86   0.009% *  0.9160% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 0.41, support = 4.12, residual support = 34.5:
        T QD1   LEU   67 - QE    PHE   72   3.07 +/- 0.74  82.914% * 98.1791% (0.41 10.00   4.13  34.55) =  99.762%  kept
        T QD1   ILE  119 - QE    PHE   72   6.52 +/- 2.27  15.316% *  1.2564% (0.53 10.00   0.02   0.02) =   0.236%
          QD2   LEU   40 - QE    PHE   72   6.97 +/- 0.88   1.441% *  0.1071% (0.45  1.00   0.02   0.02) =   0.002%
          HB    VAL   75 - QE    PHE   72  11.62 +/- 1.01   0.051% *  0.2341% (0.98  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    PHE   72  11.01 +/- 1.22   0.078% *  0.0595% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QE    PHE   72  10.81 +/- 1.21   0.073% *  0.0532% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    PHE   72  11.61 +/- 1.00   0.053% *  0.0737% (0.31  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    PHE   72  12.37 +/- 1.85   0.074% *  0.0368% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.05 A, kept.
 
    Peak 196 (0.89, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.574, support = 4.49, residual support = 24.7:
          HB3   LEU   63 - QE    PHE   72   3.81 +/- 1.10  35.929% * 79.4656% (0.73   4.45  17.92) =  72.366%  kept
          QG1   VAL   70 - QE    PHE   72   3.13 +/- 0.76  55.072% * 19.7732% (0.18   4.60  42.46) =  27.600%  kept
          QD1   LEU   40 - QE    PHE   72   4.81 +/- 0.76   7.022% *  0.1517% (0.31   0.02   0.02) =   0.027%
          QG1   VAL   18 - QE    PHE   72   5.57 +/- 0.86   1.969% *  0.1225% (0.25   0.02   5.16) =   0.006%
          QG1   VAL  108 - QE    PHE   72  13.98 +/- 1.97   0.008% *  0.4870% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.857, support = 3.84, residual support = 18.1:
          QD1   LEU   63 - QE    PHE   72   4.04 +/- 1.03  43.593% * 43.2435% (0.98   4.06  17.92) =  57.292%  kept
          QD2   LEU   63 - QE    PHE   72   3.69 +/- 1.01  51.777% * 26.6321% (0.69   3.57  17.92) =  41.908%  kept
          QD1   LEU   73 - QE    PHE   72   7.80 +/- 0.58   0.870% * 29.6820% (0.98   2.79  40.99) =   0.785%  kept
          QD2   LEU  115 - QE    PHE   72   8.43 +/- 1.69   2.874% *  0.1577% (0.73   0.02   0.02) =   0.014%
          QD1   LEU  104 - QE    PHE   72   9.89 +/- 1.55   0.323% *  0.0974% (0.45   0.02   0.02) =   0.001%
          QG2   VAL   41 - QE    PHE   72   8.22 +/- 0.44   0.518% *  0.0380% (0.18   0.02   0.02) =   0.001%
          QD2   LEU   80 - QE    PHE   72  12.74 +/- 1.11   0.046% *  0.1492% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 198 (0.38, 6.99, 130.46 ppm):
    4 chemical-shift based assignments, quality = 0.683, support = 4.05, residual support = 37.2:
          QB    ALA   64 - QE    PHE   72   3.00 +/- 0.44  72.180% * 94.7959% (0.69   4.12  37.84) =  98.139%  kept
          QG1   VAL   42 - QE    PHE   72   3.67 +/- 0.76  27.802% *  4.6658% (0.49   0.29   5.94) =   1.861%  kept
          QB    ALA   47 - QE    PHE   72  14.18 +/- 1.20   0.007% *  0.4059% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QE    PHE   72  14.11 +/- 2.31   0.012% *  0.1324% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (0.19, 6.99, 130.46 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 5.16, residual support = 42.5:
        T QG2   VAL   70 - QE    PHE   72   2.48 +/- 0.79 100.000% *100.0000% (0.90 10.00   5.16  42.46) = 100.000%  kept
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 200 (2.85, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 2.63, residual support = 37.8:
        T HA    ALA   64 - HZ    PHE   72   2.95 +/- 0.48  98.865% * 99.7900% (0.65 10.00   2.63  37.84) =  99.999%  kept
          QE    LYS+  66 - HZ    PHE   72   8.47 +/- 1.17   1.133% *  0.0812% (0.53  1.00   0.02   0.17) =   0.001%
          HB3   ASN   35 - HZ    PHE   72  18.54 +/- 1.42   0.002% *  0.1288% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 201 (2.20, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 3.3, residual support = 42.5:
        T HB    VAL   70 - HZ    PHE   72   3.89 +/- 0.93  98.341% * 98.2503% (0.92 10.00   3.30  42.46) =  99.985%  kept
        T QG    GLN   17 - HZ    PHE   72   9.11 +/- 1.03   1.163% *  1.0272% (0.97 10.00   0.02   0.02) =   0.012%
        T HB2   MET   96 - HZ    PHE   72  12.34 +/- 1.82   0.410% *  0.5600% (0.53 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HZ    PHE   72  16.02 +/- 1.75   0.044% *  0.0399% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HZ    PHE   72  21.26 +/- 1.28   0.007% *  0.1062% (1.00  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HZ    PHE   72  16.15 +/- 1.60   0.034% *  0.0164% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.15 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.446, support = 2.94, residual support = 34.4:
        T HB2   LEU   67 - HZ    PHE   72   3.34 +/- 0.84  92.750% * 91.9295% (0.45 10.00   2.96  34.55) =  99.590%  kept
          HG2   PRO   68 - HZ    PHE   72   7.59 +/- 1.81   4.818% *  7.2591% (0.80  1.00   0.88   0.02) =   0.409%
          HB    VAL   18 - HZ    PHE   72   8.01 +/- 1.17   1.355% *  0.0457% (0.22  1.00   0.02   5.16) =   0.001%
          HB    ILE   19 - HZ    PHE   72  11.00 +/- 1.35   0.135% *  0.1489% (0.73  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HZ    PHE   72   9.20 +/- 1.83   0.535% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HZ    PHE   72  13.24 +/- 2.65   0.111% *  0.1713% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HZ    PHE   72  10.02 +/- 1.15   0.213% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HZ    PHE   72  14.52 +/- 1.22   0.035% *  0.1779% (0.87  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HZ    PHE   72  14.54 +/- 2.53   0.045% *  0.1326% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HZ    PHE   72  21.98 +/- 1.13   0.002% *  0.0633% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.02 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.372, support = 2.91, residual support = 33.8:
          HB3   LEU   67 - HZ    PHE   72   3.94 +/- 0.95  84.477% * 77.0507% (0.38   2.96  34.55) =  97.955%  kept
          QG    LYS+  66 - HZ    PHE   72   6.92 +/- 0.98   9.550% * 13.6671% (0.22   0.88   0.17) =   1.964%  kept
          QB    ALA   61 - HZ    PHE   72   7.85 +/- 0.77   3.394% *  0.7305% (0.53   0.02   0.02) =   0.037%
          QB    ALA  110 - HZ    PHE   72  15.72 +/- 3.20   1.288% *  1.0611% (0.76   0.02   0.02) =   0.021%
          HD3   LYS+ 121 - HZ    PHE   72  13.06 +/- 3.02   0.499% *  1.2818% (0.92   0.02   0.02) =   0.010%
          HG12  ILE   19 - HZ    PHE   72  10.48 +/- 2.35   0.388% *  1.1598% (0.84   0.02   0.02) =   0.007%
          QB    LEU   98 - HZ    PHE   72  11.91 +/- 0.80   0.212% *  0.8982% (0.65   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HZ    PHE   72  12.80 +/- 0.60   0.128% *  1.2453% (0.90   0.02   0.02) =   0.002%
          QB    ALA   12 - HZ    PHE   72  15.42 +/- 1.98   0.040% *  0.5211% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   80 - HZ    PHE   72  19.26 +/- 1.25   0.013% *  1.3762% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - HZ    PHE   72  19.11 +/- 1.06   0.012% *  1.0083% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.18 A, kept.
 
    Peak 204 (1.00, 6.71, 127.90 ppm):
    8 chemical-shift based assignments, quality = 0.421, support = 3.68, residual support = 31.7:
        T QD1   LEU   67 - HZ    PHE   72   3.61 +/- 0.91  82.989% * 66.3520% (0.41 10.00   3.94  34.55) =  91.695%  kept
        T QD1   ILE  119 - HZ    PHE   72   7.51 +/- 2.69  15.659% * 31.8428% (0.53 10.00   0.75   0.02) =   8.303%  kept
          QD2   LEU   40 - HZ    PHE   72   8.24 +/- 1.05   1.075% *  0.0724% (0.45  1.00   0.02   0.02) =   0.001%
        T HB    VAL   75 - HZ    PHE   72  14.13 +/- 1.08   0.031% *  1.5820% (0.98 10.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HZ    PHE   72  12.60 +/- 1.70   0.092% *  0.0402% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HZ    PHE   72  13.33 +/- 1.53   0.048% *  0.0498% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HZ    PHE   72  13.29 +/- 1.27   0.053% *  0.0359% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HZ    PHE   72  14.25 +/- 2.60   0.052% *  0.0249% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.25 A, kept.
 
    Peak 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.79, support = 3.07, residual support = 24.6:
        T HB3   LEU   63 - HZ    PHE   72   4.24 +/- 1.56  48.177% * 69.6801% (0.95 10.00   3.18  17.92) =  72.749%  kept
        T QG1   VAL   70 - HZ    PHE   72   4.11 +/- 0.71  45.345% * 27.6457% (0.38 10.00   2.79  42.46) =  27.167%  kept
          QD1   LEU   71 - HZ    PHE   72   8.24 +/- 0.89   1.464% *  2.5622% (0.20  1.00   3.52  20.20) =   0.081%
          QG1   VAL   18 - HZ    PHE   72   7.17 +/- 0.95   2.010% *  0.0359% (0.49  1.00   0.02   5.16) =   0.002%
          QD1   LEU  123 - HZ    PHE   72   8.48 +/- 2.91   2.973% *  0.0146% (0.20  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HZ    PHE   72  16.04 +/- 2.70   0.032% *  0.0615% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.05 A, kept.
 
    Peak 206 (0.58, 6.71, 127.90 ppm):
    7 chemical-shift based assignments, quality = 0.813, support = 2.54, residual support = 18.2:
          QD2   LEU   63 - HZ    PHE   72   4.07 +/- 1.31  69.017% * 23.0634% (0.69   2.26  17.92) =  56.981%  kept
          QD1   LEU   63 - HZ    PHE   72   5.01 +/- 1.48  27.295% * 42.5678% (0.98   2.93  17.92) =  41.592%  kept
          QD1   LEU   73 - HZ    PHE   72   9.50 +/- 0.68   1.169% * 33.7644% (0.98   2.32  40.99) =   1.413%  kept
          QD2   LEU  115 - HZ    PHE   72   9.73 +/- 1.98   1.498% *  0.2155% (0.73   0.02   0.02) =   0.012%
          QD1   LEU  104 - HZ    PHE   72  11.23 +/- 1.83   0.320% *  0.1331% (0.45   0.02   0.02) =   0.002%
          QG2   VAL   41 - HZ    PHE   72   9.84 +/- 0.39   0.658% *  0.0520% (0.18   0.02   0.02) =   0.001%
          QD2   LEU   80 - HZ    PHE   72  15.16 +/- 1.26   0.043% *  0.2039% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.13 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.44, residual support = 42.5:
        T QG2   VAL   70 - HZ    PHE   72   3.88 +/- 0.89 100.000% *100.0000% (0.90 10.00   4.44  42.46) = 100.000%  kept
    Distance limit 4.62 A violated in 1 structures by 0.15 A, kept.
 
    Peak 208 (10.56, 7.75, 128.42 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 1.88, residual support = 74.0:
      O   HE1   TRP   87 - HD1   TRP   87   2.64 +/- 0.00 100.000% *100.0000% (0.98  10.0   1.88  74.03) = 100.000%  kept
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 209 (10.56, 7.61, 114.70 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 74.0:
      O   HE1   TRP   87 - HZ2   TRP   87   2.85 +/- 0.00  99.999% * 99.9913% (0.98  10.0   1.00  74.03) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  18.79 +/- 1.21   0.001% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 74.0:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  99.961% * 99.8601% (0.98  10.0 10.00   1.00  74.03) = 100.000%  kept
          QD    PHE   97 - HE3   TRP   87  10.68 +/- 1.79   0.039% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HE3   TRP   87  22.20 +/- 2.12   0.000% *  0.0382% (0.38   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 211 (7.61, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 1.0, residual support = 74.0:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  99.888% * 99.5607% (0.99  10.0   1.00  74.03) = 100.000%  kept
          HD21  ASN   28 - HH2   TRP   87   8.83 +/- 1.79   0.107% *  0.1969% (0.98   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HH2   TRP   87  13.76 +/- 1.81   0.005% *  0.0978% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HH2   TRP   87  20.07 +/- 1.53   0.000% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  21.51 +/- 1.17   0.000% *  0.0620% (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 212 (7.22, 7.61, 114.70 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 1.0, residual support = 74.0:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  98.871% * 99.7330% (0.90  10.0   1.00  74.03) = 100.000%  kept
          HN    PHE   59 - HN    ILE   56   5.47 +/- 0.54   1.126% *  0.0027% (0.01   1.0   0.02  19.84) =   0.000%
          HN    HIS  122 - HZ2   TRP   87  20.47 +/- 3.60   0.001% *  0.1858% (0.84   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  20.40 +/- 1.24   0.000% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  16.39 +/- 1.29   0.002% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  21.51 +/- 1.17   0.000% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 6.12:
          HZ2   TRP   27 - HZ2   TRP   87   3.40 +/- 1.18  99.935% * 99.3931% (0.87   0.75   6.12) = 100.000%  kept
          HZ    PHE   72 - HZ2   TRP   87  17.56 +/- 2.05   0.019% *  0.4715% (0.15   0.02   0.02) =   0.000%
          HZ2   TRP   27 - HN    ILE   56  19.77 +/- 1.07   0.011% *  0.1150% (0.04   0.02   0.02) =   0.000%
          HZ    PHE   72 - HN    ILE   56  15.49 +/- 1.71   0.036% *  0.0205% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 4 structures by 0.23 A, kept.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.583, support = 0.02, residual support = 0.02:
          QE    PHE   95 - HZ3   TRP   87  13.14 +/- 2.29  42.051% * 10.8062% (0.49   0.02   0.02) =  37.807%  kept
          HD21  ASN   35 - HZ3   TRP   87  14.41 +/- 2.92  34.199% * 11.6802% (0.53   0.02   0.02) =  33.233%  kept
          HN    THR   23 - HZ3   TRP   87  16.49 +/- 1.15  10.860% * 11.6802% (0.53   0.02   0.02) =  10.553%  kept
          HD1   TRP   49 - HZ3   TRP   87  21.28 +/- 2.50   4.234% * 22.0041% (0.99   0.02   0.02) =   7.751%  kept
          HD2   HIS   22 - HZ3   TRP   87  19.81 +/- 1.69   3.921% * 20.4937% (0.92   0.02   0.02) =   6.685%  kept
          HN    LEU   67 - HZ3   TRP   87  21.75 +/- 1.80   1.911% * 19.9101% (0.90   0.02   0.02) =   3.166%  kept
          QD    PHE   55 - HZ3   TRP   87  21.01 +/- 1.52   2.824% *  3.4254% (0.15   0.02   0.02) =   0.805%  kept
    Distance limit 3.60 A violated in 20 structures by 7.36 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   4.29 +/- 0.21  99.830% * 97.7183% (0.38   3.73  22.49) =  99.999%  kept
          HN    GLU-  29 - HD1   TRP   87  14.58 +/- 1.25   0.075% *  1.1171% (0.80   0.02   0.02) =   0.001%
          HN    GLN   30 - HD1   TRP   87  14.39 +/- 1.24   0.081% *  0.4306% (0.31   0.02   0.02) =   0.000%
          HN    VAL   18 - HD1   TRP   87  19.27 +/- 1.17   0.014% *  0.7340% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.02 A, kept.
 
    Peak 216 (-0.01, 7.23, 124.80 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.75, residual support = 1.75:
          QD1   LEU   31 - HH2   TRP   87   5.47 +/- 1.79 100.000% *100.0000% (0.80   0.75   1.75) = 100.000%  kept
    Distance limit 4.71 A violated in 8 structures by 1.14 A, kept.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.525, support = 2.0, residual support = 5.36:
          QD2   LEU   98 - HH2   TRP   87   4.35 +/- 1.78  83.627% * 91.2663% (0.53  1.00   2.00   5.37) =  99.797%  kept
          QG2   VAL   41 - HH2   TRP   87   6.68 +/- 1.54   8.274% *  1.2596% (0.73  1.00   0.02   0.02) =   0.136%
          QD1   LEU   73 - HH2   TRP   87   8.60 +/- 1.60   2.949% *  0.7777% (0.45  1.00   0.02   0.02) =   0.030%
          QD1   LEU   80 - HH2   TRP   87  10.07 +/- 1.63   1.112% *  0.9127% (0.53  1.00   0.02   0.02) =   0.013%
          QD2   LEU   80 - HH2   TRP   87   8.64 +/- 0.88   3.552% *  0.2677% (0.15  1.00   0.02   0.02) =   0.012%
        T QD2   LEU  115 - HH2   TRP   87  16.19 +/- 2.39   0.139% *  3.0380% (0.18 10.00   0.02   0.02) =   0.006%
          QD2   LEU   63 - HH2   TRP   87  15.22 +/- 2.04   0.161% *  1.7003% (0.98  1.00   0.02   0.02) =   0.004%
          QD1   LEU   63 - HH2   TRP   87  14.58 +/- 2.00   0.186% *  0.7777% (0.45  1.00   0.02   0.02) =   0.002%
    Distance limit 4.56 A violated in 4 structures by 0.59 A, kept.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.0, residual support = 5.37:
          QD1   LEU   98 - HH2   TRP   87   4.42 +/- 1.81  97.064% * 97.8028% (0.76   2.00   5.37) =  99.977%  kept
          QD2   LEU  104 - HH2   TRP   87   9.95 +/- 1.67   1.855% *  0.9293% (0.73   0.02   0.02) =   0.018%
          QD1   ILE   19 - HH2   TRP   87  15.87 +/- 1.47   0.278% *  0.7246% (0.57   0.02   0.02) =   0.002%
          QG2   THR   46 - HH2   TRP   87  13.43 +/- 0.95   0.506% *  0.3191% (0.25   0.02   0.02) =   0.002%
          QG2   VAL   18 - HH2   TRP   87  15.25 +/- 1.30   0.296% *  0.2241% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 4 structures by 0.78 A, kept.
 
    Peak 219 (4.35, 7.71, 120.66 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 3.51, residual support = 74.0:
        T HA    TRP   87 - HE3   TRP   87   3.24 +/- 0.15  99.966% * 99.8092% (0.80 10.00   3.51  74.03) = 100.000%  kept
          HA    LYS+  99 - HE3   TRP   87  13.74 +/- 2.57   0.032% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HE3   TRP   87  21.11 +/- 1.54   0.002% *  0.1203% (0.97  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HE3   TRP   87  22.28 +/- 1.40   0.001% *  0.0512% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.19, residual support = 74.0:
      O T HB2   TRP   87 - HE3   TRP   87   2.48 +/- 0.05  99.999% * 99.0099% (1.00  10.0 10.00   3.19  74.03) = 100.000%  kept
        T HB2   PHE   60 - HE3   TRP   87  17.86 +/- 1.62   0.001% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 0.945, support = 0.749, residual support = 4.13:
        T QD1   ILE  103 - HE3   TRP   87   3.79 +/- 1.86  94.317% * 97.9991% (0.95 10.00   0.75   4.14) =  99.932%  kept
          QG2   ILE  103 - HE3   TRP   87   6.42 +/- 1.76   4.860% *  1.2783% (0.28  1.00   0.33   4.14) =   0.067%
          QD2   LEU   71 - HE3   TRP   87  15.77 +/- 1.68   0.137% *  0.2396% (0.87  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HE3   TRP   87  11.51 +/- 1.74   0.367% *  0.0484% (0.18  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HE3   TRP   87  17.55 +/- 2.22   0.060% *  0.2763% (1.00  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HE3   TRP   87  17.42 +/- 1.11   0.122% *  0.1037% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HE3   TRP   87  17.44 +/- 2.33   0.137% *  0.0547% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 2 structures by 0.44 A, kept.
 
    Peak 222 (4.35, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.27, residual support = 74.0:
          HA    TRP   87 - HD1   TRP   87   4.50 +/- 0.08  99.925% * 99.1136% (0.80   4.27  74.03) = 100.000%  kept
          HA    PHE   59 - HD1   TRP   87  20.05 +/- 1.11   0.014% *  0.5589% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD1   TRP   87  16.29 +/- 1.59   0.054% *  0.0894% (0.15   0.02   0.02) =   0.000%
          HA    ASP- 113 - HD1   TRP   87  22.40 +/- 1.85   0.008% *  0.2381% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 223 (3.79, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 4.31, residual support = 15.3:
        T HA    VAL   83 - HD1   TRP   87   4.42 +/- 0.80  98.042% * 95.9068% (0.41 10.00   4.31  15.32) =  99.982%  kept
        T HA    VAL   24 - HD1   TRP   87   9.48 +/- 1.14   1.857% *  0.8755% (0.38 10.00   0.02   0.02) =   0.017%
        T HA    GLU- 100 - HD1   TRP   87  17.59 +/- 1.83   0.063% *  1.0459% (0.45 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  38 - HD1   TRP   87  20.59 +/- 1.24   0.020% *  2.0922% (0.90 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD1   TRP   87  20.03 +/- 1.16   0.018% *  0.0796% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 6 structures by 0.44 A, kept.
 
    Peak 224 (3.41, 7.75, 128.42 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.95, residual support = 74.0:
      O   HB2   TRP   87 - HD1   TRP   87   3.86 +/- 0.03  99.978% * 99.0099% (1.00  10.0  1.00   3.95  74.03) = 100.000%  kept
        T HB2   PHE   60 - HD1   TRP   87  15.96 +/- 1.20   0.022% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.49 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   3.26 +/- 0.31  99.932% * 98.2033% (1.00 10.00   3.60  22.49) = 100.000%  kept
        T HB2   ASN   28 - HD1   TRP   87  13.64 +/- 1.20   0.025% *  0.8221% (0.84 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HD1   TRP   87  18.85 +/- 1.67   0.004% *  0.7881% (0.80 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD1   TRP   87  12.83 +/- 0.61   0.033% *  0.0219% (0.22  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD1   TRP   87  17.95 +/- 1.33   0.005% *  0.0715% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD1   TRP   87  22.31 +/- 1.63   0.001% *  0.0931% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 226 (2.48, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 3.82, residual support = 74.0:
      O   HB3   TRP   87 - HD1   TRP   87   2.76 +/- 0.04  99.661% * 99.2543% (0.25  10.0   3.82  74.03) =  99.999%  kept
          HG3   MET   96 - HD1   TRP   87   7.90 +/- 1.52   0.338% *  0.2254% (0.57   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HD1   TRP   87  22.90 +/- 1.55   0.000% *  0.3187% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HD1   TRP   87  22.81 +/- 1.83   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HD1   TRP   87  21.52 +/- 0.94   0.000% *  0.0788% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 0.877, support = 3.13, residual support = 15.4:
        T QG2   VAL   83 - HD1   TRP   87   2.75 +/- 0.68  57.797% * 89.2012% (0.90 10.00   3.11  15.32) =  92.076%  kept
          QD1   ILE   89 - HD1   TRP   87   3.09 +/- 0.76  41.497% * 10.6913% (0.65  1.00   3.32  16.88) =   7.924%  kept
          QG2   VAL   43 - HD1   TRP   87   6.55 +/- 1.04   0.673% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HD1   TRP   87   9.94 +/- 1.03   0.032% *  0.0941% (0.95  1.00   0.02   1.75) =   0.000%
    Distance limit 3.46 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 = 0.927, support = 0.713, residual support = 16.7:
        T QG2   ILE   89 - HD1   TRP   87   4.13 +/- 0.16  65.660% * 84.6639% (0.95 10.00   0.64  16.88) =  91.395%  kept
          QG1   VAL   83 - HD1   TRP   87   4.81 +/- 0.82  34.302% * 15.2582% (0.73  1.00   1.50  15.32) =   8.605%  kept
          QD1   LEU  104 - HD1   TRP   87  14.56 +/- 1.26   0.038% *  0.0779% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 0.524, support = 0.741, residual support = 5.31:
          QD2   LEU   98 - HZ2   TRP   87   5.10 +/- 1.48  55.086% * 84.4550% (0.53   0.75   5.37) =  98.832%  kept
          QG2   VAL   41 - HZ2   TRP   87   6.92 +/- 1.03   8.240% *  3.1084% (0.73   0.02   0.02) =   0.544%  kept
          QD1   LEU   80 - HZ2   TRP   87   8.04 +/- 1.62   5.248% *  2.2521% (0.53   0.02   0.02) =   0.251%
          QD1   LEU   73 - HZ2   TRP   87   7.81 +/- 1.23   4.191% *  1.9191% (0.45   0.02   0.02) =   0.171%
          QD2   LEU   80 - HZ2   TRP   87   6.60 +/- 0.86  12.158% *  0.6605% (0.15   0.02   0.02) =   0.171%
          QD2   LEU   63 - HZ2   TRP   87  15.08 +/- 1.96   0.109% *  4.1959% (0.98   0.02   0.02) =   0.010%
          QD2   LEU  115 - HN    ILE   56   6.99 +/- 1.21  11.918% *  0.0325% (0.01   0.02   0.33) =   0.008%
          QD1   LEU   63 - HZ2   TRP   87  14.27 +/- 1.90   0.143% *  1.9191% (0.45   0.02   0.02) =   0.006%
          QD1   LEU   63 - HN    ILE   56   9.14 +/- 0.59   1.917% *  0.0833% (0.02   0.02   0.02) =   0.003%
          QD2   LEU   63 - HN    ILE   56  11.18 +/- 0.98   0.595% *  0.1821% (0.04   0.02   0.02) =   0.002%
          QD2   LEU  115 - HZ2   TRP   87  15.93 +/- 2.52   0.079% *  0.7497% (0.18   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    ILE   56  15.76 +/- 1.63   0.079% *  0.0977% (0.02   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE   56  15.96 +/- 0.89   0.074% *  0.0833% (0.02   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ILE   56  17.23 +/- 0.93   0.043% *  0.1349% (0.03   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ILE   56  16.85 +/- 1.45   0.050% *  0.0977% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE   56  15.82 +/- 1.23   0.069% *  0.0287% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 4 structures by 0.50 A, kept.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.18, support = 0.685, residual support = 1.59:
          QD1   LEU   31 - HZ2   TRP   87   5.36 +/- 1.36  44.227% * 92.4210% (0.15   0.75   1.75) =  91.139%  kept
          QG2   VAL   43 - HZ2   TRP   87   5.15 +/- 1.03  55.485% *  7.1612% (0.45   0.02   0.02) =   8.860%  kept
          QG2   VAL   43 - HN    ILE   56  13.53 +/- 0.95   0.262% *  0.3108% (0.02   0.02   0.02) =   0.002%
          QD1   LEU   31 - HN    ILE   56  19.55 +/- 0.82   0.026% *  0.1070% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 4 structures by 0.34 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.715, support = 1.78, residual support = 63.1:
          HA    TRP   49 - HE3   TRP   49   4.50 +/- 0.41  75.849% * 49.7695% (0.69   1.91  74.74) =  83.519%  kept
          HA    CYS   50 - HE3   TRP   49   5.98 +/- 0.97  17.638% * 39.2269% (0.87   1.19   3.19) =  15.308%  kept
          HA    ALA   47 - HE3   TRP   49   7.81 +/- 1.59   5.610% *  9.3577% (0.76   0.32  16.03) =   1.161%  kept
          HA1   GLY  109 - HE3   TRP   49  16.03 +/- 3.38   0.774% *  0.6345% (0.84   0.02   0.02) =   0.011%
          HA    VAL  108 - HE3   TRP   49  16.16 +/- 2.60   0.123% *  0.4914% (0.65   0.02   0.02) =   0.001%
          HA    CYS   21 - HE3   TRP   49  22.37 +/- 2.70   0.005% *  0.3697% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HE3   TRP   49  29.48 +/- 1.80   0.001% *  0.1503% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 232 (7.36, 7.11, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 0.02, residual support = 74.6:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  99.702% * 23.6887% (1.00   0.02  74.74) =  99.875%  kept
          QE    PHE   95 - HE3   TRP   49  15.57 +/- 2.78   0.240% *  8.9104% (0.38   0.02   0.02) =   0.090%
          HN    THR   23 - HE3   TRP   49  20.18 +/- 2.61   0.037% *  9.7604% (0.41   0.02   0.02) =   0.015%
          HD2   HIS   22 - HE3   TRP   49  24.29 +/- 3.48   0.015% * 23.2713% (0.98   0.02   0.02) =   0.015%
          HN    LEU   67 - HE3   TRP   49  26.39 +/- 1.14   0.005% * 19.0107% (0.80   0.02   0.02) =   0.004%
          HD21  ASN   35 - HE3   TRP   49  34.05 +/- 1.54   0.001% * 15.3585% (0.65   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 20 structures by 1.07 A, eliminated.
    Peak unassigned.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.795, support = 0.02, residual support = 67.2:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  80.967% * 16.7579% (0.84   0.02  74.74) =  89.855%  kept
          QD    PHE   55 - HH2   TRP   49   9.11 +/- 1.19  16.215% *  6.8436% (0.34   0.02   0.02) =   7.349%  kept
          QE    PHE   95 - HH2   TRP   49  14.07 +/- 2.96   2.521% * 15.3326% (0.76   0.02   0.02) =   2.560%  kept
          HN    THR   23 - HH2   TRP   49  21.39 +/- 2.62   0.110% * 16.0651% (0.80   0.02   0.02) =   0.117%
          HD2   HIS   22 - HH2   TRP   49  25.68 +/- 3.43   0.047% * 13.7814% (0.69   0.02   0.02) =   0.043%
          HE3   TRP   27 - HH2   TRP   49  21.49 +/- 2.79   0.108% *  5.5782% (0.28   0.02   0.02) =   0.040%
          HN    LEU   67 - HH2   TRP   49  25.77 +/- 1.32   0.025% * 20.0629% (1.00   0.02   0.02) =   0.034%
          HD21  ASN   35 - HH2   TRP   49  33.33 +/- 1.79   0.006% *  5.5782% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.92 A violated in 20 structures by 2.49 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 3.53, residual support = 40.4:
          HA    TRP   49 - HD1   TRP   49   4.19 +/- 0.29  37.672% * 44.7585% (0.69   4.42  74.74) =  49.726%  kept
          HA    CYS   50 - HD1   TRP   49   4.69 +/- 1.29  31.345% * 40.3003% (0.87   3.15   3.19) =  37.253%  kept
          HA    ALA   47 - HD1   TRP   49   4.63 +/- 1.49  30.872% * 14.3018% (0.76   1.27  16.03) =  13.021%  kept
          HA1   GLY  109 - HD1   TRP   49  15.74 +/- 3.37   0.049% *  0.2465% (0.84   0.02   0.02) =   0.000%
          HA    VAL  108 - HD1   TRP   49  14.95 +/- 3.01   0.055% *  0.1909% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HD1   TRP   49  19.29 +/- 2.59   0.007% *  0.1436% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD1   TRP   49  26.85 +/- 2.53   0.001% *  0.0584% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 235 (0.69, 7.13, 121.44 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 0.75, residual support = 5.37:
          QD1   LEU   98 - HZ3   TRP   87   4.81 +/- 2.19  99.737% * 94.4323% (0.45   0.75   5.37) =  99.984%  kept
          QG2   ILE   19 - HZ3   TRP   87  16.54 +/- 1.63   0.263% *  5.5677% (0.99   0.02   0.02) =   0.016%
    Distance limit 4.76 A violated in 5 structures by 0.80 A, kept.
 
    Peak 236 (0.98, 7.13, 121.44 ppm):
    8 chemical-shift based assignments, quality = 0.655, support = 1.97, residual support = 4.14:
          QD1   ILE  103 - HZ3   TRP   87   3.42 +/- 1.83  94.649% * 56.4882% (0.65   2.00   4.14) =  97.186%  kept
          QG2   ILE  103 - HZ3   TRP   87   6.12 +/- 1.75   3.864% * 39.8829% (0.95   0.97   4.14) =   2.801%  kept
          QD2   LEU   40 - HZ3   TRP   87  10.38 +/- 1.80   0.453% *  0.7294% (0.84   0.02   0.02) =   0.006%
          HB    VAL   75 - HZ3   TRP   87  11.57 +/- 1.01   0.713% *  0.2177% (0.25   0.02   0.02) =   0.003%
          QD2   LEU   71 - HZ3   TRP   87  14.60 +/- 1.86   0.130% *  0.6673% (0.76   0.02   0.02) =   0.002%
          QD1   LEU   67 - HZ3   TRP   87  16.82 +/- 2.47   0.095% *  0.7574% (0.87   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HZ3   TRP   87  17.70 +/- 1.18   0.061% *  0.8655% (0.99   0.02   0.02) =   0.001%
          QG2   ILE  119 - HZ3   TRP   87  17.61 +/- 2.52   0.034% *  0.3915% (0.45   0.02   0.02) =   0.000%
    Distance limit 5.00 A violated in 2 structures by 0.29 A, kept.
 
    Peak 237 (1.82, 7.13, 121.44 ppm):
    10 chemical-shift based assignments, quality = 0.763, support = 0.735, residual support = 3.93:
          HG12  ILE  103 - HZ3   TRP   87   4.87 +/- 2.15  88.217% * 55.4814% (0.76   0.75   4.14) =  95.050%  kept
          QB    LYS+ 102 - HZ3   TRP   87   8.12 +/- 2.04   7.183% * 34.4223% (0.76   0.47   0.02) =   4.802%  kept
          HB    VAL   41 - HZ3   TRP   87   9.24 +/- 2.22   3.201% *  1.7362% (0.90   0.02   0.02) =   0.108%
          HG2   PRO   93 - HZ3   TRP   87  17.52 +/- 1.33   0.620% *  1.8313% (0.95   0.02   0.02) =   0.022%
          HB2   LEU   71 - HZ3   TRP   87  14.12 +/- 2.07   0.445% *  1.1742% (0.61   0.02   0.02) =   0.010%
          HB3   PRO   52 - HZ3   TRP   87  21.08 +/- 1.58   0.164% *  0.9423% (0.49   0.02   0.02) =   0.003%
          QB    LYS+  66 - HZ3   TRP   87  20.69 +/- 2.01   0.072% *  1.9188% (0.99   0.02   0.02) =   0.003%
          QB    LYS+  65 - HZ3   TRP   87  22.12 +/- 1.46   0.048% *  1.2524% (0.65   0.02   0.02) =   0.001%
          HG    LEU  123 - HZ3   TRP   87  23.61 +/- 3.31   0.020% *  0.9423% (0.49   0.02   0.02) =   0.000%
          HB3   GLN   17 - HZ3   TRP   87  24.01 +/- 1.79   0.030% *  0.2987% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.04 A violated in 2 structures by 0.55 A, kept.
 
    Peak 239 (9.86, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 3.87, residual support = 73.5:
          HN    PHE   95 - QD    PHE   95   3.16 +/- 0.78 100.000% *100.0000% (0.61   3.87  73.54) = 100.000%  kept
    Distance limit 4.40 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   2.76 +/- 0.51 100.000% *100.0000% (0.98 10.00   3.44  73.54) = 100.000%  kept
    Distance limit 4.44 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 = 4.53:
          HA    ASP-  44 - QD    PHE   95   3.91 +/- 1.25  94.352% * 93.1915% (0.90   2.00   4.53) =  99.966%  kept
          HA    ILE  103 - QD    PHE   95   9.81 +/- 1.28   2.306% *  0.7546% (0.73   0.02   0.02) =   0.020%
          HA    LEU  104 - QD    PHE   95  10.95 +/- 1.65   2.325% *  0.2889% (0.28   0.02   0.02) =   0.008%
          HB    THR   77 - QD    PHE   95  12.43 +/- 1.08   0.245% *  0.8679% (0.84   0.02   0.02) =   0.002%
          HA    ASP-  86 - QD    PHE   95  15.56 +/- 1.29   0.167% *  0.7546% (0.73   0.02   0.02) =   0.001%
          HA    SER   85 - QD    PHE   95  15.64 +/- 1.09   0.118% *  0.8679% (0.84   0.02   0.02) =   0.001%
          HA1   GLY   51 - QD    PHE   95  14.00 +/- 1.52   0.324% *  0.2056% (0.20   0.02   0.02) =   0.001%
          HA    THR   39 - QD    PHE   95  14.57 +/- 1.23   0.099% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   95  18.66 +/- 2.08   0.021% *  0.6722% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD    PHE   95  16.80 +/- 1.04   0.032% *  0.3545% (0.34   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   95  22.59 +/- 2.52   0.005% *  0.7941% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   95  24.69 +/- 2.88   0.003% *  0.9592% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 3 structures by 0.33 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   2.38 +/- 0.12 100.000% *100.0000% (0.97  10.0 10.00   3.00  73.54) = 100.000%  kept
    Distance limit 3.96 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   2.56 +/- 0.16  99.905% * 99.8712% (0.99  10.0 10.00   3.31  73.54) = 100.000%  kept
          HG2   GLN  116 - QD    PHE   95   8.90 +/- 1.51   0.095% *  0.1008% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - QD    PHE   95  19.69 +/- 1.12   0.001% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.84, residual support = 45.2:
        T HB    VAL  107 - QD    PHE   95   3.06 +/- 0.81  97.116% * 99.7392% (0.92 10.00   3.84  45.23) =  99.998%  kept
          QE    LYS+ 112 - QD    PHE   95   7.96 +/- 1.93   1.882% *  0.0568% (0.53  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - QD    PHE   95   7.76 +/- 0.84   0.980% *  0.0568% (0.53  1.00   0.02   1.89) =   0.001%
          QG    GLU-  79 - QD    PHE   95  14.84 +/- 1.00   0.017% *  0.0568% (0.53  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QD    PHE   95  17.89 +/- 1.10   0.005% *  0.0902% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 245 (1.36, 7.02, 132.19 ppm):
    16 chemical-shift based assignments, quality = 0.737, support = 0.719, residual support = 3.61:
          HB3   ASP-  44 - QD    PHE   95   4.56 +/- 2.00  58.692% * 27.9367% (0.76   0.75   4.53) =  73.467%  kept
          HB2   LEU   63 - QD    PHE   95   6.47 +/- 1.52  11.815% * 23.6479% (0.65   0.75   1.97) =  12.519%  kept
          HG3   LYS+ 106 - QD    PHE   95   7.46 +/- 1.50   7.177% * 19.8206% (0.61   0.67   0.02) =   6.373%  kept
          HB3   PRO   93 - QD    PHE   95   6.38 +/- 0.96   9.170% * 11.5598% (1.00   0.24   0.02) =   4.750%  kept
          HB    VAL   42 - QD    PHE   95   7.18 +/- 1.35   5.388% * 11.2827% (0.31   0.75   1.44) =   2.724%  kept
          HG    LEU   98 - QD    PHE   95   9.21 +/- 1.31   1.447% *  0.9408% (0.97   0.02   0.02) =   0.061%
          HG2   LYS+ 111 - QD    PHE   95  10.38 +/- 2.21   3.897% *  0.3009% (0.31   0.02   0.02) =   0.053%
          HB2   LYS+ 112 - QD    PHE   95   9.62 +/- 1.55   1.175% *  0.4745% (0.49   0.02   0.02) =   0.025%
          QB    ALA   84 - QD    PHE   95  11.49 +/- 0.98   0.236% *  0.9726% (1.00   0.02   0.02) =   0.010%
          HB3   LEU   73 - QD    PHE   95   9.50 +/- 1.39   0.608% *  0.3659% (0.38   0.02   0.02) =   0.010%
          QB    ALA  124 - QD    PHE   95  13.91 +/- 1.69   0.081% *  0.8742% (0.90   0.02   0.02) =   0.003%
          HB3   LEU   80 - QD    PHE   95  13.38 +/- 1.08   0.086% *  0.5129% (0.53   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QD    PHE   95  12.75 +/- 1.75   0.113% *  0.3009% (0.31   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - QD    PHE   95  15.11 +/- 1.57   0.061% *  0.4008% (0.41   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    PHE   95  15.44 +/- 1.18   0.034% *  0.3659% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD    PHE   95  16.73 +/- 1.43   0.019% *  0.2431% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 1 structures by 0.12 A, kept.
 
    Peak 246 (1.15, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.83, residual support = 45.2:
        T QG2   VAL  107 - QD    PHE   95   3.16 +/- 0.91  98.119% * 99.7831% (0.99 10.00   3.83  45.23) =  99.998%  kept
          HG13  ILE  103 - QD    PHE   95   8.89 +/- 1.25   1.344% *  0.0806% (0.80  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QD    PHE   95  11.12 +/- 2.00   0.439% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    PHE   95  11.45 +/- 1.44   0.098% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 1 structures by 0.09 A, kept.
 
    Peak 247 (0.59, 7.02, 132.19 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 1.59, residual support = 8.42:
        T QD2   LEU  115 - QD    PHE   95   4.50 +/- 2.24  51.334% * 86.7795% (0.99 10.00   1.54   9.10) =  90.482%  kept
          QD1   LEU   63 - QD    PHE   95   4.54 +/- 1.73  41.762% * 10.9440% (0.90  1.00   2.14   1.97) =   9.283%  kept
          QD2   LEU   63 - QD    PHE   95   6.05 +/- 1.65   5.951% *  1.9252% (0.31  1.00   1.10   1.97) =   0.233%
          QD1   LEU   73 - QD    PHE   95   8.76 +/- 1.27   0.374% *  0.1021% (0.90  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - QD    PHE   95   9.78 +/- 1.57   0.333% *  0.0950% (0.84  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - QD    PHE   95  10.81 +/- 1.04   0.133% *  0.1115% (0.98  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD    PHE   95  11.30 +/- 1.28   0.113% *  0.0427% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 248 (0.38, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.645, support = 0.748, residual support = 1.44:
        T QG1   VAL   42 - QD    PHE   95   4.35 +/- 1.27  88.215% * 94.3071% (0.65 10.00   0.75   1.44) =  99.731%  kept
          QB    ALA   64 - QD    PHE   95   7.45 +/- 1.12   5.576% *  2.6019% (0.53  1.00   0.25   0.02) =   0.174%
        T QB    ALA   47 - QD    PHE   95   9.56 +/- 1.08   2.507% *  2.9710% (0.76 10.00   0.02   0.02) =   0.089%
          HG2   LYS+ 112 - QD    PHE   95   8.89 +/- 1.78   3.703% *  0.1200% (0.31  1.00   0.02   0.02) =   0.005%
    Distance limit 4.25 A violated in 6 structures by 0.58 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.719, support = 3.69, residual support = 13.2:
          HA    ILE  119 - HD2   HIS  122   2.55 +/- 0.63  95.225% * 51.0144% (0.73   3.66  13.71) =  95.521%  kept
          HA    THR  118 - HD2   HIS  122   4.80 +/- 0.28   4.733% * 48.1224% (0.57   4.43   2.81) =   4.479%  kept
          HA2   GLY  109 - HD2   HIS  122  15.41 +/- 2.65   0.028% *  0.1068% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   58 - HD2   HIS  122  13.00 +/- 1.48   0.011% *  0.1185% (0.31   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   HIS  122  18.20 +/- 2.10   0.002% *  0.2174% (0.57   0.02   0.02) =   0.000%
          HA    ALA   84 - HD2   HIS  122  20.86 +/- 2.53   0.001% *  0.1721% (0.45   0.02   0.02) =   0.000%
          HB2   TRP   49 - HD2   HIS  122  25.33 +/- 1.17   0.000% *  0.2484% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 3.9, residual support = 72.3:
      O T HB2   HIS  122 - HD2   HIS  122   3.59 +/- 0.47  99.888% * 99.7225% (0.49  10.0 10.00   3.90  72.26) = 100.000%  kept
          HA    LYS+ 112 - HD2   HIS  122  12.28 +/- 1.10   0.096% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HD2   HIS  122  16.88 +/- 1.54   0.015% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HD2   HIS  122  24.10 +/- 1.91   0.002% *  0.0699% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (2.76, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.96, support = 3.91, residual support = 71.8:
      O T HB3   HIS  122 - HD2   HIS  122   3.05 +/- 0.47  89.636% * 85.5663% (0.97  10.0 10.00   3.90  72.26) =  98.096%  kept
          QE    LYS+ 121 - HD2   HIS  122   6.14 +/- 1.43  10.362% * 14.3638% (0.69   1.0  1.00   4.72  49.70) =   1.904%  kept
          HG2   GLN   30 - HD2   HIS  122  18.88 +/- 2.68   0.002% *  0.0197% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   HIS  122  25.00 +/- 1.75   0.000% *  0.0502% (0.57   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 252 (1.88, 6.83, 120.22 ppm):
    13 chemical-shift based assignments, quality = 0.544, support = 0.105, residual support = 0.0198:
          QB    LYS+ 106 - HD2   HIS  122   9.95 +/- 2.55   7.904% * 43.7878% (0.65   0.17   0.02) =  56.644%  kept
          HB3   ASP- 105 - HD2   HIS  122   7.55 +/- 4.09  64.257% *  2.7134% (0.34   0.02   0.02) =  28.535%  kept
          HG3   PRO   68 - HD2   HIS  122  10.86 +/- 3.46  19.407% *  1.9835% (0.25   0.02   0.02) =   6.300%  kept
          HB    ILE   56 - HD2   HIS  122  12.55 +/- 1.98   4.256% *  7.7972% (0.98   0.02   0.02) =   5.432%  kept
          HB3   PRO   58 - HD2   HIS  122  13.82 +/- 1.62   2.418% *  4.8248% (0.61   0.02   0.02) =   1.910%  kept
          HB3   LYS+  38 - HD2   HIS  122  17.54 +/- 3.44   0.197% *  7.9371% (1.00   0.02   0.02) =   0.257%
          HB    ILE  103 - HD2   HIS  122  14.73 +/- 3.72   0.608% *  2.2117% (0.28   0.02   0.02) =   0.220%
          HB3   GLN   30 - HD2   HIS  122  18.10 +/- 2.95   0.173% *  7.3432% (0.92   0.02   0.02) =   0.208%
          HB2   MET   92 - HD2   HIS  122  18.81 +/- 1.44   0.186% *  6.3697% (0.80   0.02   0.02) =   0.194%
          HG2   ARG+  54 - HD2   HIS  122  19.20 +/- 1.36   0.311% *  2.4552% (0.31   0.02   0.02) =   0.125%
          QB    LYS+  33 - HD2   HIS  122  17.49 +/- 2.48   0.207% *  3.5664% (0.45   0.02   0.02) =   0.121%
          QB    LYS+  81 - HD2   HIS  122  24.03 +/- 2.11   0.037% *  4.8248% (0.61   0.02   0.02) =   0.029%
          HB3   GLN   90 - HD2   HIS  122  23.75 +/- 2.04   0.039% *  4.1852% (0.53   0.02   0.02) =   0.027%
    Distance limit 4.51 A violated in 12 structures by 1.52 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 = 0.912, support = 5.73, residual support = 49.4:
          HB2   LYS+ 121 - HD2   HIS  122   4.20 +/- 0.40  93.063% * 68.2692% (0.92   5.77  49.70) =  97.109%  kept
          HB2   LEU  123 - HD2   HIS  122   7.05 +/- 0.93   6.222% * 30.3825% (0.53   4.51  38.10) =   2.889%  kept
          QD    LYS+  65 - HD2   HIS  122  12.71 +/- 2.08   0.310% *  0.2425% (0.95   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HD2   HIS  122  16.43 +/- 3.67   0.054% *  0.1959% (0.76   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   HIS  122  16.86 +/- 2.98   0.039% *  0.2558% (1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   HIS  122  12.71 +/- 0.91   0.160% *  0.0396% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   HIS  122  15.70 +/- 2.03   0.053% *  0.0962% (0.38   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   HIS  122  16.63 +/- 1.58   0.031% *  0.1451% (0.57   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HD2   HIS  122  16.30 +/- 1.67   0.036% *  0.0713% (0.28   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   HIS  122  20.98 +/- 2.87   0.010% *  0.2513% (0.98   0.02   0.02) =   0.000%
          HB3   MET   92 - HD2   HIS  122  17.63 +/- 1.36   0.021% *  0.0507% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 254 (1.53, 6.83, 120.22 ppm):
    9 chemical-shift based assignments, quality = 0.868, support = 4.83, residual support = 49.7:
          HB3   LYS+ 121 - HD2   HIS  122   4.87 +/- 0.59  57.207% * 71.4594% (1.00   4.73  49.70) =  80.275%  kept
          HD2   LYS+ 121 - HD2   HIS  122   5.32 +/- 1.70  36.901% * 27.1842% (0.34   5.26  49.70) =  19.698%  kept
          QD    LYS+  66 - HD2   HIS  122   9.10 +/- 2.76   4.284% *  0.2200% (0.73   0.02   0.02) =   0.019%
          HG    LEU  104 - HD2   HIS  122  11.06 +/- 4.29   1.246% *  0.3023% (1.00   0.02   0.02) =   0.007%
          HB3   LYS+ 111 - HD2   HIS  122  14.05 +/- 1.98   0.114% *  0.2924% (0.97   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HD2   HIS  122  12.82 +/- 2.10   0.165% *  0.0842% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   HIS  122  16.54 +/- 1.80   0.039% *  0.2866% (0.95   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   HIS  122  17.39 +/- 1.86   0.030% *  0.0675% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HD2   HIS  122  19.68 +/- 3.56   0.016% *  0.1034% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.09 A, kept.
 
    Peak 255 (0.98, 6.83, 120.22 ppm):
    8 chemical-shift based assignments, quality = 0.339, support = 2.82, residual support = 11.5:
          QG2   ILE  119 - HD2   HIS  122   4.25 +/- 0.52  70.453% * 36.5772% (0.18  1.00   3.36  13.71) =  80.099%  kept
          QD2   LEU   40 - HD2   HIS  122   7.62 +/- 3.48  11.350% * 46.6309% (1.00  1.00   0.75   2.87) =  16.450%  kept
          QD1   LEU   67 - HD2   HIS  122   7.76 +/- 2.96  16.727% *  6.5416% (1.00  1.00   0.11   0.02) =   3.401%  kept
          QG2   ILE  103 - HD2   HIS  122  10.67 +/- 3.14   0.987% *  1.2001% (0.97  1.00   0.02   0.02) =   0.037%
        T HB    VAL   75 - HD2   HIS  122  16.22 +/- 2.35   0.028% *  7.0401% (0.57 10.00   0.02   0.02) =   0.006%
          QD1   ILE  103 - HD2   HIS  122  12.35 +/- 2.98   0.276% *  0.3838% (0.31  1.00   0.02   0.02) =   0.003%
          QD2   LEU   71 - HD2   HIS  122  12.18 +/- 1.98   0.160% *  0.5112% (0.41  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  74 - HD2   HIS  122  17.29 +/- 1.52   0.019% *  1.1152% (0.90  1.00   0.02   0.02) =   0.001%
    Distance limit 4.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 257 (0.84, 6.83, 120.22 ppm):
    6 chemical-shift based assignments, quality = 0.489, support = 4.52, residual support = 37.8:
          QD1   LEU  123 - HD2   HIS  122   5.26 +/- 1.09  56.526% * 51.7887% (0.49   4.64  38.10) =  85.760%  kept
          QD2   LEU  123 - HD2   HIS  122   7.14 +/- 0.98  10.312% * 44.5093% (0.49   3.99  38.10) =  13.445%  kept
          HB3   LEU  104 - HD2   HIS  122   9.92 +/- 4.11   7.299% *  3.2603% (0.84   0.17   0.02) =   0.697%  kept
          QG1   VAL   70 - HD2   HIS  122   6.59 +/- 2.21  25.037% *  0.1275% (0.28   0.02   0.02) =   0.094%
          QD1   LEU   71 - HD2   HIS  122  12.12 +/- 2.09   0.362% *  0.2233% (0.49   0.02   0.02) =   0.002%
          QG1   VAL   18 - HD2   HIS  122  11.28 +/- 1.25   0.464% *  0.0908% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.58 A violated in 0 structures by 0.29 A, kept.
 
    Peak 258 (0.24, 6.83, 120.22 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.963, residual support = 2.81:
        T QG2   THR  118 - HD2   HIS  122   3.27 +/- 0.13 100.000% *100.0000% (0.69 10.00   0.96   2.81) = 100.000%  kept
    Distance limit 3.21 A violated in 0 structures by 0.09 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 = 0.804, support = 0.703, residual support = 12.6:
          HB3   LEU   73 - HE3   TRP   27   4.96 +/- 0.90  51.806% * 46.2605% (0.94   0.65  13.15) =  82.455%  kept
          HB2   LEU   80 - HE3   TRP   27   6.60 +/- 1.86  25.747% * 13.8166% (0.17   1.04  14.10) =  12.239%  kept
          HG3   LYS+  65 - HN    LEU   67   6.44 +/- 0.64  10.604% * 10.2088% (0.15   0.88   0.02) =   3.724%  kept
          HB3   LYS+  74 - HE3   TRP   27   8.07 +/- 0.90   2.491% * 16.0592% (0.31   0.69   0.02) =   1.377%  kept
          QB    LEU   98 - HE3   TRP   27   9.00 +/- 1.38   2.017% *  0.8567% (0.56   0.02   0.02) =   0.059%
          HG3   LYS+  33 - HE3   TRP   27  11.26 +/- 2.57   1.008% *  1.5098% (0.99   0.02   0.02) =   0.052%
          HB    VAL   42 - HE3   TRP   27   9.98 +/- 1.00   0.823% *  1.4832% (0.97   0.02   0.02) =   0.042%
          QB    ALA   84 - HE3   TRP   27   9.47 +/- 1.37   1.348% *  0.2995% (0.20   0.02   0.02) =   0.014%
          HG    LEU   98 - HE3   TRP   27   9.78 +/- 1.74   1.633% *  0.2048% (0.13   0.02   0.02) =   0.012%
          HB    VAL   42 - HN    LEU   67   8.92 +/- 0.56   1.428% *  0.2308% (0.15   0.02   0.02) =   0.011%
          HG3   LYS+ 102 - HE3   TRP   27  15.86 +/- 2.22   0.072% *  1.3969% (0.91   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HE3   TRP   27  14.84 +/- 1.46   0.078% *  1.1564% (0.76   0.02   0.02) =   0.003%
          QB    ALA   12 - HE3   TRP   27  17.04 +/- 2.68   0.038% *  1.2639% (0.83   0.02   0.02) =   0.002%
          HB3   PRO   93 - HE3   TRP   27  14.57 +/- 1.65   0.080% *  0.3369% (0.22   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   67  13.40 +/- 0.59   0.112% *  0.2227% (0.15   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HE3   TRP   27  19.28 +/- 1.17   0.014% *  1.4832% (0.97   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    LEU   67  14.12 +/- 2.77   0.264% *  0.0655% (0.04   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LEU   67  15.11 +/- 1.97   0.080% *  0.1967% (0.13   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    LEU   67  16.36 +/- 1.93   0.046% *  0.2349% (0.15   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   67  14.44 +/- 0.94   0.081% *  0.1333% (0.09   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   67  17.48 +/- 1.91   0.033% *  0.1799% (0.12   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HE3   TRP   27  23.32 +/- 1.73   0.005% *  1.3126% (0.86   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   67  14.60 +/- 0.64   0.071% *  0.0727% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   67  17.84 +/- 1.33   0.021% *  0.2042% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HE3   TRP   27  21.34 +/- 2.83   0.010% *  0.4207% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   67  22.09 +/- 1.38   0.007% *  0.2174% (0.14   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   67  17.04 +/- 1.43   0.026% *  0.0524% (0.03   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   67  16.18 +/- 1.16   0.043% *  0.0319% (0.02   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   67  21.00 +/- 0.58   0.008% *  0.0466% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   67  21.91 +/- 0.73   0.006% *  0.0412% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.04 A, kept.
 
    Peaks:
      selected                               :    244
      with diagonal assignment               :     32
      without assignment possibility         :      8
      with one assignment possibility        :     20
      with multiple assignment possibilities :    184
      with given assignment possibilities    :      0
      with unique volume contribution        :    112
      with multiple volume contributions     :     92
      eliminated by violation filter         :     12
 
    Peaks:
      selected                               :    244
      without assignment                     :     24
      with assignment                        :    220
      with unique assignment                 :    139
      with multiple assignment               :     81
      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             :    188
 
    Atoms with eliminated volume contribution > 2.5: